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>  <Mol_ID> (1)
13

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C53H84NO14P

>  <MolWeight> (1)
990.206121

>  <Cat> (1)
S1022

>  <Name> (1)
Deforolimus (MK-8669) 

>  <Synonyms> (1)
AP23573, MK-8669

>  <Target> (1)
mTOR

>  <Form> (1)
Free Base

>  <CAS> (1)
572924-54-0

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

$$$$
1.cdx
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M  END
>  <Mol_ID> (2)
26

>  <Formula> (2)
C19H16N4O3

>  <MolWeight> (2)
348.35534

>  <Cat> (2)
S1038

>  <Name> (2)
PI-103

>  <Synonyms> (2)
N/A

>  <Target> (2)
DNA-PK, PI3K, mTOR

>  <Form> (2)
Free Base

>  <CAS> (2)
371935-74-9

>  <URL> (2)
http://www.selleckchem.com/products/PI-103.html

$$$$
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M  END
>  <Mol_ID> (3)
27

>  <Formula> (3)
C51H79NO13

>  <MolWeight> (3)
914.17186

>  <Cat> (3)
S1039

>  <Name> (3)
Rapamycin (Sirolimus)

>  <Synonyms> (3)
N/A 

>  <Target> (3)
mTOR 

>  <Form> (3)
Free Base

>  <CAS> (3)
53123-88-9

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

$$$$

csChFnd80/01032011552D

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M  END
>  <Mol_ID> (4)
48

>  <Formula> (4)
C25H23Cl2N5O

>  <MolWeight> (4)
480.38902

>  <Cat> (4)
S1078

>  <Name> (4)
MK-2206 dihydrochloride

>  <Synonyms> (4)
N/A

>  <Target> (4)
Akt

>  <Form> (4)
Dihydrochloride

>  <CAS> (4)
1032350-13-2

>  <URL> (4)
http://www.selleckchem.com/products/MK-2206.html

$$$$
Everolimus.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (5)
74

>  <Formula> (5)
C53H83NO14

>  <MolWeight> (5)
958.22442

>  <Cat> (5)
S1120

>  <Name> (5)
Everolimus (RAD001)

>  <Synonyms> (5)
Certican, Zortress, Afinitor

>  <Target> (5)
mTOR

>  <Form> (5)
Free Base

>  <CAS> (5)
159351-69-6

>  <URL> (5)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
SRT1720.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (6)
77

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C25H24ClN7OS

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SRT1720 HCl

>  <Synonyms> (6)
N/A

>  <Target> (6)
Sirtuin

>  <Form> (6)
Hydrochloride

>  <CAS> (6)
1001645-58-4

>  <URL> (6)
http://www.selleckchem.com/products/SRT1720.html

$$$$
untitled.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (7)
102

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C21H20N4

>  <MolWeight> (7)
328.4103

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S1172

>  <Name> (7)
JNJ 26854165 (Serdemetan)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
p53 

>  <Form> (7)
Free Base

>  <CAS> (7)
881202-45-5

>  <URL> (7)
http://www.selleckchem.com/products/JNJ-26854165.html

$$$$
KU-0063794.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (8)
136

>  <Formula> (8)
C25H31N5O4

>  <MolWeight> (8)
465.54474

>  <Cat> (8)
S1226

>  <Name> (8)
Ku-0063794

>  <Synonyms> (8)
N/A

>  <Target> (8)
mTOR 

>  <Form> (8)
Free Base

>  <CAS> (8)
938440-64-3

>  <URL> (8)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (9)
140

>  <Formula> (9)
C19H26O3

>  <MolWeight> (9)
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>  <Cat> (9)
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>  <Name> (9)
2-Methoxyestradiol

>  <Synonyms> (9)
2-ME2

>  <Target> (9)
HIF

>  <Form> (9)
Free Base

>  <CAS> (9)
362-07-2

>  <URL> (9)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
WYE-354.cdx
csChFnd80/01032011552D

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C24H29N7O5

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N/A

>  <Target> (10)
mTOR 

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Free Base

>  <CAS> (10)
1062169-56-5

>  <URL> (10)
http://www.selleckchem.com/products/WYE-354.html

$$$$
Budesonide.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (11)
166

>  <Formula> (11)
C25H34O6

>  <MolWeight> (11)
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>  <Cat> (11)
S1286

>  <Name> (11)
Budesonide

>  <Synonyms> (11)
N/A

>  <Target> (11)
Glucocorticoid Receptor

>  <Form> (11)
Free Base

>  <CAS> (11)
51333-22-3

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

$$$$
Deflazacort.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (12)
179

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C25H31NO6

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441.51674

>  <Cat> (12)
S1888

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Deflazacort (Calcort)

>  <Synonyms> (12)
Cortax, Decortil, Deflanil

>  <Target> (12)
Glucocorticoid Receptor

>  <Form> (12)
Free Base

>  <CAS> (12)
14484-47-0

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

$$$$
Nicotinamide.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (13)
188

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C6H6N2O

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S1899

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Nicotinamide (Vitamin B3)

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Niacinamide

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Sirtuin

>  <Form> (13)
Free Base

>  <CAS> (13)
98-92-0

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

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/01032011552D

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   10.3569    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9816    5.1330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1940    5.8330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.7733    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 22 27  1  1  0  0  0
 24 28  1  1  0  0  0
 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (14)
193

>  <Formula> (14)
C24H25FNNaO4

>  <MolWeight> (14)
433.4477732

>  <Cat> (14)
S1909

>  <Name> (14)
Fluvastatin sodium (Lescol)

>  <Synonyms> (14)
Vastin

>  <Target> (14)
HMG-CoA Reductase

>  <Form> (14)
Sodium

>  <CAS> (14)
93957-55-2

>  <URL> (14)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/01032011552D

 30 33  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  2  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
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    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  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
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    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    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
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  5  6  1  0  0  0  0
  6  1  2  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  5  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
 14 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (15)
199

>  <Formula> (15)
C21H27FO6

>  <MolWeight> (15)
394.4338832

>  <Cat> (15)
S1933

>  <Name> (15)
Triamcinolone (Aristocort)

>  <Synonyms> (15)
N/A

>  <Target> (15)
Glucocorticoid Receptor

>  <Form> (15)
Free Base

>  <CAS> (15)
124-94-7

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

$$$$
FG-4592.cdx
csChFnd80/01032011552D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.8455    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
    2.4249    2.1000    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 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
 17 19  2  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (16)
287

>  <Formula> (16)
C19H16N2O5

>  <MolWeight> (16)
352.34074

>  <Cat> (16)
S1007

>  <Name> (16)
Roxadustat (FG-4592)

>  <Synonyms> (16)
N/A 

>  <Target> (16)
HIF

>  <Form> (16)
Free Base

>  <CAS> (16)
808118-40-3

>  <URL> (16)
http://www.selleckchem.com/products/fg-4592.html

$$$$
CELESTONE (betamethasone).cdx
csChFnd80/01032011552D

 30 33  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  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   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  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9777    6.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3118    6.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6301    6.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    4.6326    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  2  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
 10 11  1  0  0  0  0
 11  5  1  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
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 15 11  1  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 13  1  0  0  0  0
  5 19  1  1  0  0  0
 11 20  1  6  0  0  0
 10 21  1  1  0  0  0
 12 22  1  6  0  0  0
 17 23  1  1  0  0  0
 15 24  1  1  0  0  0
 13 25  1  1  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 18 30  1  6  0  0  0
M  END
>  <Mol_ID> (17)
310

>  <Formula> (17)
C22H29FO5

>  <MolWeight> (17)
392.4610632

>  <Cat> (17)
S1500

>  <Name> (17)
Betamethasone (Celestone)

>  <Synonyms> (17)
Celestone, Betadexamethasone, Flubenisolone, Sch-4831, NCS-39470 

>  <Target> (17)
Glucocorticoid Receptor

>  <Form> (17)
Free Base

>  <CAS> (17)
378-44-9

>  <URL> (17)
http://www.selleckchem.com/products/Betamethasone-(Celestone).html

$$$$
P529.cdx
csChFnd80/01032011552D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1024    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1024    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6146    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6146    6.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097    6.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5244    4.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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1349796-36-6

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csChFnd80/01032011552D

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461432-26-8

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1009298-09-2

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>  <CAS> (22)
49843-98-3

>  <URL> (22)
http://www.selleckchem.com/products/EX-527.html

$$$$
PHT-427.cdx
csChFnd80/01032011552D

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341

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C20H31N3O2S2

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S1556

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PHT-427

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N/A 

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Akt, PDK-1

>  <Form> (23)
Free Base

>  <CAS> (23)
1191951-57-1

>  <URL> (23)
http://www.selleckchem.com/products/PHT-427.html

$$$$
AT7867.cdx
csChFnd80/01032011552D

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344

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C20H20ClN3

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337.8459

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S1558

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AT7867

>  <Synonyms> (24)
N/A

>  <Target> (24)
Akt, S6 kinase

>  <Form> (24)
Free Base

>  <CAS> (24)
857531-00-1

>  <URL> (24)
http://www.selleckchem.com/products/AT7867.html

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/01032011552D

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>  <Mol_ID> (25)
369

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C8H5F3N2OS

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S1614

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Riluzole (Rilutek)

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PK-26124, RP-54274, Rilutek

>  <Target> (25)
Sodium Channel

>  <Form> (25)
Free Base

>  <CAS> (25)
1744-22-5

>  <URL> (25)
http://www.selleckchem.com/products/Riluzole(Rilutek).html

$$$$
FERNISONE (prednisone).cdx
csChFnd80/01032011552D

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>  <Mol_ID> (26)
373

>  <Formula> (26)
C21H26O5

>  <MolWeight> (26)
358.42814

>  <Cat> (26)
S1622

>  <Name> (26)
Prednisone (Adasone)

>  <Synonyms> (26)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (26)
Glucocorticoid Receptor

>  <Form> (26)
Free Base

>  <CAS> (26)
19420

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

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/01032011552D

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 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 26  1  6  0  0  0
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 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (27)
378

>  <Formula> (27)
C24H31FO6

>  <MolWeight> (27)
434.4977432

>  <Cat> (27)
S1628

>  <Name> (27)
Triamcinolone Acetonide

>  <Synonyms> (27)
Azmacort

>  <Target> (27)
Glucocorticoid Receptor

>  <Form> (27)
Free Base

>  <CAS> (27)
76-25-5 

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

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/01032011552D

 35 38  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  2  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 C   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  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  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
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9306    6.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2782    5.8857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872    6.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5249    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8973    5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5114    8.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1503   10.0337    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  1  0  0  0  0
  6  1  2  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  5  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
 14 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
 17 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
 19 23  2  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 14 27  1  1  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  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  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (28)
403

>  <Formula> (28)
C24H31ClO7

>  <MolWeight> (28)
466.95174

>  <Cat> (28)
S1669

>  <Name> (28)
Loteprednol etabonate

>  <Synonyms> (28)
Alrex, Lotemax

>  <Target> (28)
Glucocorticoid Receptor

>  <Form> (28)
Free Base

>  <CAS> (28)
82034-46-6

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

$$$$
BETAMETHASONE DIPROPIONATE (betamethasone dipropionate).cdx
csChFnd80/01032011552D

 38 41  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  2  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 C   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  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  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
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771    6.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5636    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9112    7.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    8.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    8.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 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 30  1  0  0  0  0
 28 31  2  0  0  0  0
 17 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 10 37  1  6  0  0  0
 11 38  1  6  0  0  0
M  END
>  <Mol_ID> (29)
412

>  <Formula> (29)
C28H37FO7

>  <MolWeight> (29)
504.5875832

>  <Cat> (29)
S1688

>  <Name> (29)
Betamethasone Dipropionate (Diprolene)

>  <Synonyms> (29)
Diprospan, Diprolene, Diprosone, Diprolene AF 

>  <Target> (29)
Glucocorticoid Receptor

>  <Form> (29)
Free Base

>  <CAS> (29)
5593-20-4

>  <URL> (29)
http://www.selleckchem.com/products/Betamethasone-Dipropionate(Diprolene).html

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/01032011552D

 30 33  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  2  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 C   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  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  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
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9394    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    6.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
 14 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  2  0  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (30)
413

>  <Formula> (30)
C22H28O5

>  <MolWeight> (30)
372.45472

>  <Cat> (30)
S1689

>  <Name> (30)
Betapar (Meprednisone)

>  <Synonyms> (30)
Betanisona

>  <Target> (30)
Glucocorticoid Receptor

>  <Form> (30)
Free Base

>  <CAS> (30)
1247-42-3

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

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/01032011552D

 36 39  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
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    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771    6.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9942    7.3125    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  1  0  0  0  0
  6  1  2  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  5  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
 14 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 10 33  1  6  0  0  0
 11 34  1  6  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (31)
414

>  <Formula> (31)
C27H37FO6

>  <MolWeight> (31)
476.5774832

>  <Cat> (31)
S1690

>  <Name> (31)
Betamethasone valerate (Betnovate)

>  <Synonyms> (31)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (31)
Glucocorticoid Receptor

>  <Form> (31)
Free Base

>  <CAS> (31)
2152-44-5 

>  <URL> (31)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/01032011552D

 29 32  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  2  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 C   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  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  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
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    7.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9798    4.8509    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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  5  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
 14 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 14 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (32)
419

>  <Formula> (32)
C21H30O5

>  <MolWeight> (32)
362.4599

>  <Cat> (32)
S1696

>  <Name> (32)
Hydrocortisone (Cortisol)

>  <Synonyms> (32)
Cortisol

>  <Target> (32)
Glucocorticoid Receptor

>  <Form> (32)
Free Base

>  <CAS> (32)
50-23-7

>  <URL> (32)
http://www.selleckchem.com/products/Hydrocortisone.html

$$$$
DESOWEN (desonide).cdx
csChFnd80/01032011552D

 34 38  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  2  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 C   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  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  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
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    5.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671    8.3272    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
 14 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 14 26  1  1  0  0  0
 12 27  1  1  0  0  0
 16 28  1  1  0  0  0
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 17 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (33)
420

>  <Formula> (33)
C24H32O6

>  <MolWeight> (33)
416.50728

>  <Cat> (33)
S1701

>  <Name> (33)
Desonide

>  <Synonyms> (33)
Locapred, Topifug, Tridesilon

>  <Target> (33)
Glucocorticoid Receptor

>  <Form> (33)
Free Base

>  <CAS> (33)
638-94-8

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

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/01032011552D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  2  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  2  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  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  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
    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
 14 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7 27  1  6  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (34)
438

>  <Formula> (34)
C22H30O5

>  <MolWeight> (34)
374.4706

>  <Cat> (34)
S1733

>  <Name> (34)
Methylprednisolone

>  <Synonyms> (34)
Medrol, Solu-Medrol, Medrone

>  <Target> (34)
Glucocorticoid Receptor

>  <Form> (34)
Free Base

>  <CAS> (34)
83-43-2

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

$$$$
Pitavastatin calcium.cdx
csChFnd80/01032011552D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0421   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   16.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (35)
448

>  <Formula> (35)
C50H46CaF2N2O8

>  <MolWeight> (35)
880.9836464

>  <Cat> (35)
S1759

>  <Name> (35)
Pitavastatin calcium (Livalo)

>  <Synonyms> (35)
Livalo

>  <Target> (35)
HMG-CoA Reductase

>  <Form> (35)
Calcium salt

>  <CAS> (35)
147526-32-7

>  <URL> (35)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/01032011552D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (36)
463

>  <Formula> (36)
C25H38O5

>  <MolWeight> (36)
418.56622

>  <Cat> (36)
S1792

>  <Name> (36)
Simvastatin (Zocor)

>  <Synonyms> (36)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (36)
HMG-CoA Reductase

>  <Form> (36)
Free Base

>  <CAS> (36)
79902-63-9

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

$$$$
CTEP.cdx
csChFnd80/01032011552D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (37)
473

>  <Formula> (37)
C19H13ClF3N3O

>  <MolWeight> (37)
391.7742296

>  <Cat> (37)
S2861

>  <Name> (37)
CTEP (RO4956371)

>  <Synonyms> (37)
N/A

>  <Target> (37)
GluR

>  <Form> (37)
Free Base

>  <CAS> (37)
871362-31-1

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

$$$$
Quercetin.cdx
csChFnd80/01032011552D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (38)
532

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C15H10O7

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>  <Name> (38)
Quercetin (Sophoretin)

>  <Synonyms> (38)
Meletin, Quercetine

>  <Target> (38)
PI3K, PKC, Src, Sirtuin

>  <Form> (38)
Free Base

>  <CAS> (38)
117-39-5

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

$$$$
PP442.cdx
csChFnd80/01032011552D

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594

>  <Formula> (39)
C16H16N6O

>  <MolWeight> (39)
308.33784

>  <Cat> (39)
S2218

>  <Name> (39)
Torkinib (PP242)

>  <Synonyms> (39)
TORKinib 

>  <Target> (39)
mTOR

>  <Form> (39)
Free Base

>  <CAS> (39)
1092351-67-1

>  <URL> (39)
http://www.selleckchem.com/products/PP242.html

$$$$
MPEP.cdx
csChFnd80/01032011552D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (40)
609

>  <Formula> (40)
C14H11N

>  <MolWeight> (40)
193.24384

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S2809

>  <Name> (40)
MPEP

>  <Synonyms> (40)
N/A 

>  <Target> (40)
GluR

>  <Form> (40)
Free Base

>  <CAS> (40)
96206-92-7

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

$$$$
Fisetin.cdx
csChFnd80/01032011552D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (41)
630

>  <Formula> (41)
C15H10O6

>  <MolWeight> (41)
286.2363

>  <Cat> (41)
S2298

>  <Name> (41)
Fisetin (Fustel)

>  <Synonyms> (41)
Fustel, Viset

>  <Target> (41)
Sirtuin

>  <Form> (41)
Free Base

>  <CAS> (41)
528-48-3

>  <URL> (41)
http://www.selleckchem.com/products/Fisetin(Fustel).html

$$$$
Honokiol.cdx
csChFnd80/01032011552D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (42)
640

>  <Formula> (42)
C18H18O2

>  <MolWeight> (42)
266.33432

>  <Cat> (42)
S2310

>  <Name> (42)
Honokiol

>  <Synonyms> (42)
N/A

>  <Target> (42)
Akt, MEK

>  <Form> (42)
Free Base

>  <CAS> (42)
35354-74-6

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

$$$$
Parthenolide.cdx
csChFnd80/01032011552D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (43)
664

>  <Formula> (43)
C15H20O3

>  <MolWeight> (43)
248.3175

>  <Cat> (43)
S2341

>  <Name> (43)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (43)
N/A 

>  <Target> (43)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (43)
Free Base

>  <CAS> (43)
20554-84-1

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

$$$$
Phloretin.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (44)
665

>  <Formula> (44)
C15H14O5

>  <MolWeight> (44)
274.26866

>  <Cat> (44)
S2342

>  <Name> (44)
Phloretin

>  <Synonyms> (44)
Dihydronaringenin

>  <Target> (44)
SGLT

>  <Form> (44)
Free Base

>  <CAS> (44)
60-82-2

>  <URL> (44)
http://www.selleckchem.com/products/Phloretin(Dihydronaringenin).html

$$$$
Phlorizin.cdx
csChFnd80/01032011552D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0  0  0  0
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 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (45)
666

>  <Formula> (45)
C21H24O10

>  <MolWeight> (45)
436.40926

>  <Cat> (45)
S2343

>  <Name> (45)
Phlorizin (Phloridzin)

>  <Synonyms> (45)
Phlorhizin, Phlorizoside 

>  <Target> (45)
SGLT

>  <Form> (45)
Free Base

>  <CAS> (45)
60-81-1

>  <URL> (45)
http://www.selleckchem.com/products/Phlorizin(Phloridzin).html

$$$$
Chrysophanic acid.cdx
csChFnd80/01032011552D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (46)
678

>  <Formula> (46)
C15H10O4

>  <MolWeight> (46)
254.2375

>  <Cat> (46)
S2406

>  <Name> (46)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (46)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (46)
EGFR, mTOR

>  <Form> (46)
Free Base

>  <CAS> (46)
481-74-3

>  <URL> (46)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/01032011552D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (47)
719

>  <Formula> (47)
C25H17F2N5O3S

>  <MolWeight> (47)
505.4959864

>  <Cat> (47)
S2658

>  <Name> (47)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (47)
N/A 

>  <Target> (47)
PI3K, mTOR

>  <Form> (47)
Free Base

>  <CAS> (47)
1086062-66-9 

>  <URL> (47)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/01032011552D

 16 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (48)
759

>  <Formula> (48)
C10H16ClN5

>  <MolWeight> (48)
241.72054

>  <Cat> (48)
S2542

>  <Name> (48)
Phenformin hydrochloride 

>  <Synonyms> (48)
N/A

>  <Target> (48)
AMPK

>  <Form> (48)
Hydrochloride 

>  <CAS> (48)
834-28-6

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

$$$$
OSI-027.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (49)
764

>  <Formula> (49)
C21H22N6O3

>  <MolWeight> (49)
406.43778

>  <Cat> (49)
S2624

>  <Name> (49)
OSI-027

>  <Synonyms> (49)
N/A 

>  <Target> (49)
mTOR

>  <Form> (49)
Free Base

>  <CAS> (49)
936890-98-1

>  <URL> (49)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (50)
765

>  <Formula> (50)
C17H17N7

>  <MolWeight> (50)
319.36378

>  <Cat> (50)
S2622

>  <Name> (50)
PP-121

>  <Synonyms> (50)
N/A

>  <Target> (50)
DNA-PK, mTOR, PDGF

>  <Form> (50)
Free Base

>  <CAS> (50)
1092788-83-4

>  <URL> (50)
http://www.selleckchem.com/products/PP121.html

$$$$
Cortisone acetate.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (51)
772

>  <Formula> (51)
C23H30O6

>  <MolWeight> (51)
402.4807

>  <Cat> (51)
S2559

>  <Name> (51)
Cortisone acetate (Cortone)

>  <Synonyms> (51)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (51)
Glucocorticoid Receptor

>  <Form> (51)
Free Base

>  <CAS> (51)
18357

>  <URL> (51)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

$$$$
CCT128930.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (52)
782

>  <Formula> (52)
C18H20ClN5

>  <MolWeight> (52)
341.8379

>  <Cat> (52)
S2635

>  <Name> (52)
CCT128930

>  <Synonyms> (52)
N/A 

>  <Target> (52)
Akt

>  <Form> (52)
Free Base

>  <CAS> (52)
885499-61-6

>  <URL> (52)
http://www.selleckchem.com/products/cct128930.html

$$$$
A-674563.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (53)
788

>  <Formula> (53)
C22H22N4O

>  <MolWeight> (53)
358.43628

>  <Cat> (53)
S2670

>  <Name> (53)
A-674563

>  <Synonyms> (53)
N/A

>  <Target> (53)
Akt, CDK, PKA

>  <Form> (53)
Free Base

>  <CAS> (53)
552325-73-2

>  <URL> (53)
http://www.selleckchem.com/products/a-674563.html

$$$$
WAY-600.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (57)
813

>  <Formula> (57)
C26H32F2O7

>  <MolWeight> (57)
494.5248864

>  <Cat> (57)
S2608

>  <Name> (57)
Fluocinonide (Vanos)

>  <Synonyms> (57)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (57)
Glucocorticoid Receptor

>  <Form> (57)
Free Base

>  <CAS> (57)
356-12-7

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

$$$$
Prednisolone acetate.cdx
csChFnd80/01032011552D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (58)
818

>  <Formula> (58)
C23H30O6

>  <MolWeight> (58)
402.4807

>  <Cat> (58)
S2570

>  <Name> (58)
Prednisolone acetate (Omnipred)

>  <Synonyms> (58)
Omnipred

>  <Target> (58)
Glucocorticoid Receptor

>  <Form> (58)
Free Base

>  <CAS> (58)
52-21-1

>  <URL> (58)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

$$$$
Clinofbrate.cdx
csChFnd80/01032011552D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.9425    6.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (59)
820

>  <Formula> (59)
C28H36O6

>  <MolWeight> (59)
468.58184

>  <Cat> (59)
S2664

>  <Name> (59)
Clinofibrate

>  <Synonyms> (59)
Lipoclin

>  <Target> (59)
RAAS

>  <Form> (59)
Free Base

>  <CAS> (59)
30299-08-2

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

$$$$
GDC 0980.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (60)
843

>  <Formula> (60)
C23H30N8O3S

>  <MolWeight> (60)
498.6011

>  <Cat> (60)
S2696

>  <Name> (60)
Apitolisib (GDC-0980, RG7422)

>  <Synonyms> (60)
N/A 

>  <Target> (60)
mTOR, PI3K

>  <Form> (60)
Free Base

>  <CAS> (60)
1032754-93-0

>  <URL> (60)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
INK 128.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (61)
856

>  <Formula> (61)
C15H15N7O

>  <MolWeight> (61)
309.3259

>  <Cat> (61)
S2811

>  <Name> (61)
INK 128 (MLN0128)

>  <Synonyms> (61)
N/A 

>  <Target> (61)
mTOR 

>  <Form> (61)
Free Base

>  <CAS> (61)
1224844-38-5

>  <URL> (61)
http://www.selleckchem.com/products/ink128.html

$$$$
PF-04691502.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (62)
868

>  <Formula> (62)
C22H27N5O4

>  <MolWeight> (62)
425.48088

>  <Cat> (62)
S2743

>  <Name> (62)
PF-04691502

>  <Synonyms> (62)
N/A

>  <Target> (62)
mTOR, PI3K, Akt

>  <Form> (62)
Free Base

>  <CAS> (62)
1013101-36-4 

>  <URL> (62)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Fluticasone propionate.cdx
csChFnd80/01032011552D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (63)
873

>  <Formula> (63)
C25H31F3O5S

>  <MolWeight> (63)
500.5708496

>  <Cat> (63)
S1992

>  <Name> (63)
Fluticasone propionate (Flonase, Veramyst)

>  <Synonyms> (63)
N/A 

>  <Target> (63)
Glucocorticoid Receptor

>  <Form> (63)
Free Base

>  <CAS> (63)
80474-14-2

>  <URL> (63)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

$$$$
Mometasone furoate.cdx
csChFnd80/01032011552D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (64)
878

>  <Formula> (64)
C27H30Cl2O6

>  <MolWeight> (64)
521.4295

>  <Cat> (64)
S1987

>  <Name> (64)
Mometasone furoate

>  <Synonyms> (64)
N/A

>  <Target> (64)
Glucocorticoid Receptor

>  <Form> (64)
Furoate

>  <CAS> (64)
83919-23-7

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

$$$$
Clobetasol propionate.cdx
csChFnd80/01032011552D

 36 39  0  0  0  0  0  0  0  0999 V2000
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Clobetasol propionate

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Glucocorticoid Receptor

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Free Base

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25122-46-7

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

$$$$
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950

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C32H29F3N6O6

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S2749

>  <Name> (66)
NVP-BGT226

>  <Synonyms> (66)
N/A 

>  <Target> (66)
PI3K, mTOR

>  <Form> (66)
Maleate

>  <CAS> (66)
1245537-68-1

>  <URL> (66)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
Canagliflozin.cdx
csChFnd80/01032011552D

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C24H25FO5S

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Canagliflozin

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N/A

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SGLT 

>  <Form> (67)
Free Base

>  <CAS> (67)
842133-18-0

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

$$$$
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RITA (NSC 652287)

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p53

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213261-59-7

>  <URL> (68)
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csChFnd80/01032011552D

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mTOR

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1009298-59-2

>  <URL> (69)
http://www.selleckchem.com/products/azd2014.html

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433967-28-3

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Free Base

>  <CAS> (71)
410536-97-9

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

$$$$
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Akt 

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>  <URL> (72)
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$$$$
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M  END
>  <Mol_ID> (73)
1012

>  <Formula> (73)
C24H15F3N4O

>  <MolWeight> (73)
432.3973096

>  <Cat> (73)
S2817

>  <Name> (73)
Torin 2

>  <Synonyms> (73)
N/A 

>  <Target> (73)
mTOR

>  <Form> (73)
Free Base

>  <CAS> (73)
1223001-51-1

>  <URL> (73)
http://www.selleckchem.com/products/torin-2.html

$$$$
Pravastatin sodium.cdx
csChFnd80/01032011552D

 32 32  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (74)
1017

>  <Formula> (74)
C23H35NaO7

>  <MolWeight> (74)
446.50957

>  <Cat> (74)
S3036

>  <Name> (74)
Pravastatin sodium

>  <Synonyms> (74)
Selektine 

>  <Target> (74)
HMG-CoA Reductase

>  <Form> (74)
Free Base

>  <CAS> (74)
81131-70-6

>  <URL> (74)
http://www.selleckchem.com/products/pravastatin-pravachol.html

$$$$
ADX47273.cdx
csChFnd80/01032011552D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (75)
1034

>  <Formula> (75)
C20H17F2N3O2

>  <MolWeight> (75)
369.3646864

>  <Cat> (75)
S2690

>  <Name> (75)
ADX-47273

>  <Synonyms> (75)
N/A 

>  <Target> (75)
GluR

>  <Form> (75)
Free Base

>  <CAS> (75)
851881-60-2

>  <URL> (75)
http://www.selleckchem.com/products/adx-47273.html

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/01032011552D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 16 30  1  1  0  0  0
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M  END
>  <Mol_ID> (76)
1101

>  <Formula> (76)
C28H37ClO7

>  <MolWeight> (76)
521.04218

>  <Cat> (76)
S3078

>  <Name> (76)
Beclomethasone dipropionate 

>  <Synonyms> (76)
Beclometasone dipropionate

>  <Target> (76)
Glucocorticoid Receptor

>  <Form> (76)
Free Base

>  <CAS> (76)
1327543

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

$$$$
Pircetam.cdx
csChFnd80/01032011552D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (77)
1103

>  <Formula> (77)
C6H10N2O2

>  <MolWeight> (77)
142.1558

>  <Cat> (77)
S3070

>  <Name> (77)
Piracetam

>  <Synonyms> (77)
N/A

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GluR

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7491-74-9

>  <URL> (77)
http://www.selleckchem.com/products/piracetam.html

$$$$
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1108

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Apocynin (Acetovanillone)

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N/A

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NADPH oxidase

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Free Base

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498-02-2

>  <URL> (78)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

$$$$
VU 0364770.cdx
csChFnd80/01032011552D

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GluR

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61350-00-3

>  <URL> (79)
http://www.selleckchem.com/products/vu-0364770.html

$$$$
IEM 1754 dihydrobroMide.cdx
csChFnd80/01032011552D

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C16H32Br2N2

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IEM 1754 dihydrobroMide

>  <Synonyms> (80)
N/A

>  <Target> (80)
5-HT Receptor

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DihydrobroMide

>  <CAS> (80)
162831-31-4

>  <URL> (80)
http://www.selleckchem.com/products/iem-1754-dihydrobromide.html

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VU 0361737.cdx
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1161205-04-4

>  <URL> (81)
http://www.selleckchem.com/products/vu-0361737.html

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IOX2.cdx
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C19H16N2O5

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HIF

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>  <CAS> (82)
931398-72-0

>  <URL> (82)
http://www.selleckchem.com/products/iox2.html

$$$$
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M  END
>  <Mol_ID> (83)
1196

>  <Formula> (83)
C24H36O5

>  <MolWeight> (83)
404.53964

>  <Cat> (83)
S2061

>  <Name> (83)
Lovastatin (Mevacor)

>  <Synonyms> (83)
N/A

>  <Target> (83)
HMG-CoA Reductase

>  <Form> (83)
Free Base

>  <CAS> (83)
75330-75-5

>  <URL> (83)
http://www.selleckchem.com/products/lovastatin-mevacor.html

$$$$
Atorvastatin calcium.cdx
csChFnd80/01032011552D

 83 88  0  0  0  0  0  0  0  0999 V2000
   19.4186    4.8013    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   18.7029    6.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7909    7.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5719    9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6598    9.9061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4408   11.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5288   12.1698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.3098   13.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3978   14.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1788   15.8163    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   23.7048   13.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8358   11.6681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9668    9.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3506    7.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5881    5.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4692    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7762    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8489    8.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4662    8.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7299    9.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1901    5.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4901    7.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4901    4.6638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3901    5.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9902    5.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2902    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9902    3.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3901    3.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1068    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9503    4.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7546    3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3922    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3822    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7344    1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0968    2.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8770    3.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.3718    4.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1976    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4726    2.3133    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8632    6.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3496    7.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496    4.6638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7495    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4495    5.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5495    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8495    3.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4495    3.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2672    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    4.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149    3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5425    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    2.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2114    2.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4588    3.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5321    4.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    2.3133    0.0000 F   0  0  0  0  0  0  0  0  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
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  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 12  1  6  0  0  0
  5 13  1  6  0  0  0
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 29 24  1  0  0  0  0
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 30 32  2  0  0  0  0
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 35 36  2  0  0  0  0
 36 30  1  0  0  0  0
 31 37  2  0  0  0  0
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 41 31  1  0  0  0  0
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 82 72  1  0  0  0  0
 80 83  1  0  0  0  0
M  END
>  <Mol_ID> (84)
1204

>  <Formula> (84)
C66H68CaF2N4O10

>  <MolWeight> (84)
1155.3417264

>  <Cat> (84)
S2077

>  <Name> (84)
Atorvastatin calcium (Lipitor)

>  <Synonyms> (84)
N/A

>  <Target> (84)
HMG-CoA Reductase

>  <Form> (84)
Calcium 

>  <CAS> (84)
134523-03-8

>  <URL> (84)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/01032011552D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2704    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    7.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2448    3.5837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2395    9.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10  5  1  0  0  0  0
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  7 36  1  0  0  0  0
M  END
>  <Mol_ID> (85)
1223

>  <Formula> (85)
C24H30F2O6

>  <MolWeight> (85)
452.4882064

>  <Cat> (85)
S2470

>  <Name> (85)
Fluocinolone acetonide (Flucort-N)

>  <Synonyms> (85)
Flucort-N

>  <Target> (85)
Glucocorticoid Receptor

>  <Form> (85)
Free Base

>  <CAS> (85)
67-73-2

>  <URL> (85)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

$$$$
Pifithrin-¦Á.cdx
csChFnd80/01032011552D

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    7.3852    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    3.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3852    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    2.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3223    0.0000    0.0000 Br  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  2  0  0  0  0
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  8  9  1  0  0  0  0
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  8 10  2  0  0  0  0
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (86)
1246

>  <Formula> (86)
C16H19BrN2OS

>  <MolWeight> (86)
367.30386

>  <Cat> (86)
S2929

>  <Name> (86)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Synonyms> (86)
N/A

>  <Target> (86)
p53

>  <Form> (86)
HBr

>  <CAS> (86)
63208-82-2

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

$$$$
aicar.cdx
csChFnd80/01032011552D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.8045    1.1326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.0165    5.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  3  7  1  1  0  0  0
  1  8  1  6  0  0  0
  2  9  1  6  0  0  0
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  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (87)
1257

>  <Formula> (87)
C9H14N4O5

>  <MolWeight> (87)
258.23126

>  <Cat> (87)
S1802

>  <Name> (87)
AICAR (Acadesine)

>  <Synonyms> (87)
AICAR, AICA-riboside

>  <Target> (87)
AMPK

>  <Form> (87)
Free Base

>  <CAS> (87)
2627-69-2

>  <URL> (87)
http://www.selleckchem.com/products/Acadesine.html

$$$$
flumethasone.cdx
csChFnd80/01032011552D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  2  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  2  0  0  0  0  0  0  0  0  0
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    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 12 23  1  1  0  0  0
 14 24  1  1  0  0  0
  5 25  1  1  0  0  0
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 17 27  1  6  0  0  0
  7 28  1  6  0  0  0
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 16 31  1  6  0  0  0
 17 19  1  1  0  0  0
M  END
>  <Mol_ID> (88)
1408

>  <Formula> (88)
C22H28F2O5

>  <MolWeight> (88)
410.4515264

>  <Cat> (88)
S4088

>  <Name> (88)
Flumethasone

>  <Synonyms> (88)
N/A

>  <Target> (88)
Glucocorticoid Receptor

>  <Form> (88)
Free Base

>  <CAS> (88)
2135-17-3

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

$$$$
Fluorometholone Acetate.cdx
csChFnd80/01032011552D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.8201    3.7689    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
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 13 17  1  0  0  0  0
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 15 16  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
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 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
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  1 28  1  6  0  0  0
 12 29  1  6  0  0  0
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  3 31  1  1  0  0  0
  4 32  1  1  0  0  0
  2 33  1  1  0  0  0
 10 34  1  1  0  0  0
M  END
>  <Mol_ID> (89)
1434

>  <Formula> (89)
C24H31FO5

>  <MolWeight> (89)
418.4983432

>  <Cat> (89)
S4228

>  <Name> (89)
Fluorometholone Acetate

>  <Synonyms> (89)
N/A

>  <Target> (89)
Glucocorticoid Receptor

>  <Form> (89)
Free Base

>  <CAS> (89)
694485

>  <URL> (89)
http://www.selleckchem.com/products/fluorometholone-acetate.html

$$$$
mevastatin.cdx
csChFnd80/01032011552D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  4  8  1  6  0  0  0
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  5  7  1  0  0  0  0
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 18  8  1  0  0  0  0
 11 10  1  0  0  0  0
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 10 29  1  1  0  0  0
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 23 24  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (90)
1437

>  <Formula> (90)
C23H34O5

>  <MolWeight> (90)
390.51306

>  <Cat> (90)
S4223

>  <Name> (90)
Mevastatin

>  <Synonyms> (90)
N/A

>  <Target> (90)
HMG-CoA Reductase

>  <Form> (90)
Free Base

>  <CAS> (90)
73573-88-3

>  <URL> (90)
http://www.selleckchem.com/products/mevastatin.html

$$$$
Latrepirdine.cdx
csChFnd80/01032011552D

 26 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (91)
1457

>  <Formula> (91)
C21H27Cl2N3

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392.36518

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S1245

>  <Name> (91)
Latrepirdine 2HCl

>  <Synonyms> (91)
Dimebolin

>  <Target> (91)
GluR

>  <Form> (91)
Dihydrochloride

>  <CAS> (91)
97657-92-6

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

$$$$
untitled.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (92)
1464

>  <Formula> (92)
C13H16N6O4

>  <MolWeight> (92)
320.30394

>  <Cat> (92)
S1117

>  <Name> (92)
Triciribine

>  <Synonyms> (92)
N/A

>  <Target> (92)
Akt

>  <Form> (92)
Free Base

>  <CAS> (92)
35943-35-2

>  <URL> (92)
http://www.selleckchem.com/products/Triciribine.html

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (93)
1466

>  <Formula> (93)
C8H7NO2S

>  <MolWeight> (93)
181.21168

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S2930

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Pifithrin-¦Ì

>  <Synonyms> (93)
NSC 303580, PFT¦Ì

>  <Target> (93)
p53

>  <Form> (93)
Free Base

>  <CAS> (93)
64984-31-2

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

$$$$
METI-DERM (prednisolone).cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (94)
1475

>  <Formula> (94)
C21H28O5

>  <MolWeight> (94)
360.44402

>  <Cat> (94)
S1737

>  <Name> (94)
Prednisolone

>  <Synonyms> (94)
Decaprednil, Predonine

>  <Target> (94)
Glucocorticoid Receptor

>  <Form> (94)
Free Base

>  <CAS> (94)
50-24-8

>  <URL> (94)
http://www.selleckchem.com/products/Prednisolone(Hydroretrocortine).html

$$$$
Tenovin-6 HCl.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (95)
1500

>  <Formula> (95)
C25H35ClN4O2S

>  <MolWeight> (95)
491.089

>  <Cat> (95)
S4900

>  <Name> (95)
Tenovin-6

>  <Synonyms> (95)
N/A

>  <Target> (95)
p53,Sirtuin

>  <Form> (95)
Free Base

>  <CAS> (95)
1011557-82-6

>  <URL> (95)
http://www.selleckchem.com/products/tenovin-6.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (96)
1535

>  <Formula> (96)
C44H69NO12

>  <MolWeight> (96)
804.01816

>  <Cat> (96)
S5003

>  <Name> (96)
Tacrolimus (FK506)

>  <Synonyms> (96)
FR900506

>  <Target> (96)
mTOR

>  <Form> (96)
Free Base

>  <CAS> (96)
104987-11-3

>  <URL> (96)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Rosuvastatin calcium.cdx
csChFnd80/01032011552D

 67 68  0  0  0  0  0  0  0  0999 V2000
    2.6124    4.9098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (97)
1536

>  <Formula> (97)
C44H54CaF2N6O12S2

>  <MolWeight> (97)
1001.1373664

>  <Cat> (97)
S2169

>  <Name> (97)
Rosuvastatin Calcium

>  <Synonyms> (97)
ZD4522

>  <Target> (97)
HMG-CoA Reductase

>  <Form> (97)
Calcium salt

>  <CAS> (97)
147098-20-2

>  <URL> (97)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

$$$$
Temsirolimus.cdx
csChFnd80/01032011552D

 73 76  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (98)
1538

>  <Formula> (98)
C56H87NO16

>  <MolWeight> (98)
1030.28708

>  <Cat> (98)
S1044

>  <Name> (98)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (98)
N/A

>  <Target> (98)
mTOR

>  <Form> (98)
Free Base

>  <CAS> (98)
162635-04-3

>  <URL> (98)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
Acetylleucine.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (99)
1588

>  <Formula> (99)
C8H15NO3

>  <MolWeight> (99)
173.2096

>  <Cat> (99)
S4514

>  <Name> (99)
Acetylleucine

>  <Synonyms> (99)
N-acetyl-L-leucine

>  <Target> (99)
Others

>  <Form> (99)
Free Base

>  <CAS> (99)
99-15-0

>  <URL> (99)
http://www.selleckchem.com/products/acetylleucine.html

$$$$
Aceglutamide.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (100)
1589

>  <Formula> (100)
C7H12N2O4

>  <MolWeight> (100)
188.18118

>  <Cat> (100)
S4512

>  <Name> (100)
Aceglutamide

>  <Synonyms> (100)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (100)
Others

>  <Form> (100)
Free Base

>  <CAS> (100)
2490-97-3

>  <URL> (100)
http://www.selleckchem.com/products/aceglutamide.html

$$$$
S4716 Evans Blue.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (101)
1702

>  <Formula> (101)
C34H24N6Na4O14S4

>  <MolWeight> (101)
960.80524

>  <Cat> (101)
S4716

>  <Name> (101)
Evans Blue

>  <Synonyms> (101)
Direct Blue 53

>  <Target> (101)
GluR

>  <Form> (101)
sodium salt

>  <CAS> (101)
314-13-6

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

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (102)
1723

>  <Formula> (102)
C36H30O16

>  <MolWeight> (102)
718.6138

>  <Cat> (102)
S4735

>  <Name> (102)
Salvianolic acid B

>  <Synonyms> (102)
Lithospermate B

>  <Target> (102)
Others

>  <Form> (102)
Free Base

>  <CAS> (102)
121521-90-2

>  <URL> (102)
http://www.selleckchem.com/products/salvianolic-acid-b.html

$$$$
S4752 Corticosterone.cdx
csChFnd80/01032011552D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (103)
1738

>  <Formula> (103)
C21H30O4

>  <MolWeight> (103)
346.4605

>  <Cat> (103)
S4752

>  <Name> (103)
Corticosterone

>  <Synonyms> (103)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (103)
Glucocorticoid Receptor

>  <Form> (103)
Free Base

>  <CAS> (103)
50-22-6

>  <URL> (103)
http://www.selleckchem.com/products/corticosterone.html

$$$$
S3617 (20S)-Protopanaxatriol.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (104)
1765

>  <Formula> (104)
C30H52O4

>  <MolWeight> (104)
476.73148

>  <Cat> (104)
S3617

>  <Name> (104)
(20S)-Protopanaxatriol

>  <Synonyms> (104)
g-PPT, 20(S)-APPT

>  <Target> (104)
GR,ER

>  <Form> (104)
free base

>  <CAS> (104)
34080-08-5

>  <URL> (104)
http://www.selleckchem.com/products/20s-protopanaxatriol.html

$$$$
S4774 Xanthurenic Acid.cdx
csChFnd80/01032011552D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4446    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (105)
2066

>  <Formula> (105)
C10H7NO4

>  <MolWeight> (105)
205.16688

>  <Cat> (105)
S4774

>  <Name> (105)
Xanthurenic Acid

>  <Synonyms> (105)
xanthurenate; 8-Hydroxykynurenic acid; 4,8-Dihydroxyquinaldic acid

>  <Target> (105)
mGlu2,mGlu3

>  <Form> (105)
free base

>  <CAS> (105)
59-00-7

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

$$$$
S4775 Cortodoxone.cdx
csChFnd80/01032011552D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 12 15  1  0  0  0  0
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  1 27  1  6  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (106)
2067

>  <Formula> (106)
C21H30O4

>  <MolWeight> (106)
346.4605

>  <Cat> (106)
S4775

>  <Name> (106)
Cortodoxone

>  <Synonyms> (106)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (106)
Glucocorticoid Receptor

>  <Form> (106)
free base

>  <CAS> (106)
152-58-9

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

$$$$
untitled.cdx
csChFnd80/01032011552D

 27 26  0  0  0  0  0  0  0  0999 V2000
   23.5990    4.5249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (107)
2250

>  <Formula> (107)
C21H46NO4P

>  <MolWeight> (107)
407.568001

>  <Cat> (107)
S3056

>  <Name> (107)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (107)
N/A

>  <Target> (107)
Akt

>  <Form> (107)
Free Base

>  <CAS> (107)
58066-85-6

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

$$$$
Tenovin-1.cdx
csChFnd80/01032011552D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (108)
2277

>  <Formula> (108)
C20H23N3O2S

>  <MolWeight> (108)
369.48052

>  <Cat> (108)
S8000

>  <Name> (108)
Tenovin-1

>  <Synonyms> (108)
N/A

>  <Target> (108)
p53

>  <Form> (108)
Free Base

>  <CAS> (108)
380315-80-0

>  <URL> (108)
http://www.selleckchem.com/products/tenovin-1.html

$$$$
AZD5363.cdx
csChFnd80/01032011552D

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Empagliflozin (BI10773)

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>  <Target> (110)
SGLT

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Free Base

>  <CAS> (110)
864070-44-0

>  <URL> (110)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

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mTOR

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1207360-89-1

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https://www.selleckchem.com/products/gdc-0349.html

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5959-95-5

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http://www.selleckchem.com/products/D-glutamine.html

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    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.5700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    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
  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
 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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  2  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 18  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (114)
2350

>  <Formula> (114)
C18H11N3O2S

>  <MolWeight> (114)
333.36384

>  <Cat> (114)
S1360

>  <Name> (114)
GSK1059615

>  <Synonyms> (114)
N/A

>  <Target> (114)
PI3K, mTOR

>  <Form> (114)
Free Base

>  <CAS> (114)
958852-01-2

>  <URL> (114)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/01032011552D

 32 37  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  2  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
    4.8455    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4345    7.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693    7.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    9.5749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    2.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9704    2.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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  5  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
 14 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
 12 20  1  1  0  0  0
 14 21  1  6  0  0  0
 10 21  1  6  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 29  1  1  0  0  0
 28 30  2  0  0  0  0
  9 31  1  1  0  0  0
 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (115)
2374

>  <Formula> (115)
C24H30O6

>  <MolWeight> (115)
414.4914

>  <Cat> (115)
S1707

>  <Name> (115)
Eplerenone

>  <Synonyms> (115)
Inspra

>  <Target> (115)
Glucocorticoid Receptor

>  <Form> (115)
Free Base

>  <CAS> (115)
107724-20-9

>  <URL> (115)
http://www.selleckchem.com/products/Eplerenone(Inspra).html

$$$$
(-)-Huperzine A.cdx
csChFnd80/01032011552D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2889    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    4.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9014    4.9854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6513    2.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390    6.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    7.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    6.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    5.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637    2.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7613    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 10  5  1  0  0  0  0
  3 13  1  6  0  0  0
  5 14  1  1  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (116)
2388

>  <Formula> (116)
C15H18N2O

>  <MolWeight> (116)
242.31622

>  <Cat> (116)
S2251

>  <Name> (116)
(-)-Huperzine A (HupA)

>  <Synonyms> (116)
N/A

>  <Target> (116)
AChR & GluR

>  <Form> (116)
Free Base

>  <CAS> (116)
102518-79-6

>  <URL> (116)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

$$$$
ly404039.cdx
csChFnd80/01032011552D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.3124    3.5473    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3124    2.1473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6439    1.7146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4668    2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    3.9799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2816    5.3322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6339    4.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    0.3146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9862    2.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    0.7473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4000    4.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.2721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101    1.8573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  6  0  0  0
  3  9  1  1  0  0  0
  2 12  1  1  0  0  0
  1 13  1  1  0  0  0
  1 14  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  1  1  0  0  0
 14 18  1  6  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (117)
2396

>  <Formula> (117)
C7H9NO6S

>  <MolWeight> (117)
235.21446

>  <Cat> (117)
S6001

>  <Name> (117)
LY2140023 (LY404039)

>  <Synonyms> (117)
N/A 

>  <Target> (117)
GluR

>  <Form> (117)
Free Base

>  <CAS> (117)
635318-11-5

>  <URL> (117)
http://www.selleckchem.com/products/LY2140023(LY404039).html

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/01032011552D

 10  9  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 C   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 C   0  0  1  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
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  2  0  0  0  0
  6  9  2  0  0  0  0
  5 10  1  1  0  0  0
M  END
>  <Mol_ID> (118)
2400

>  <Formula> (118)
C5H10N2O3

>  <MolWeight> (118)
146.1445

>  <Cat> (118)
S1749

>  <Name> (118)
L-Glutamine

>  <Synonyms> (118)
N/A

>  <Target> (118)
Others

>  <Form> (118)
Free Base

>  <CAS> (118)
56-85-9

>  <URL> (118)
http://www.selleckchem.com/products/Glutamine.html

$$$$
PK-1587.cdx
csChFnd80/01032011552D

 45 50  0  0  0  0  0  0  0  0999 V2000
    3.6331    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9488    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9488    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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mTOR, PI3K

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Free Base

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1197160-78-3

>  <URL> (119)
http://www.selleckchem.com/products/pki587.html

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2433

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Torin 1

>  <Synonyms> (120)
N/A 

>  <Target> (120)
mTOR

>  <Form> (120)
Free Base

>  <CAS> (120)
1222998-36-8

>  <URL> (120)
http://www.selleckchem.com/products/torin-1.html

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VU 0364439.cdx
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>  <Mol_ID> (121)
2446

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C18H13Cl2N3O3S

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GluR

>  <Form> (121)
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1246086-78-1

>  <URL> (121)
https://www.selleckchem.com/products/vu-0364439.html

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403811-55-2

>  <URL> (122)
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Amoxapine

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N/A

>  <Target> (123)
GlyT

>  <Form> (123)
Free Base

>  <CAS> (123)
14028-44-5

>  <URL> (123)
http://www.selleckchem.com/products/amoxapine.html

$$$$
NSC319726.cdx
csChFnd80/01032011552D

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NSC319726

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N/A

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p53

>  <Form> (124)
Free Base

>  <CAS> (124)
71555-25-4

>  <URL> (124)
http://www.selleckchem.com/products/nsc319726.html

$$$$
TIC10.cdx
csChFnd80/01032011552D

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2517

>  <Formula> (125)
C24H26N4O

>  <MolWeight> (125)
386.48944

>  <Cat> (125)
S7127

>  <Name> (125)
TIC10 analogue

>  <Synonyms> (125)
TRAIL-inducing Compound 10

>  <Target> (125)
Akt

>  <Form> (125)
Free Base

>  <CAS> (125)
41276-02-2

>  <URL> (125)
http://www.selleckchem.com/products/tic10.html

$$$$
XL388.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (126)
2542

>  <Formula> (126)
C23H22FN3O4S

>  <MolWeight> (126)
455.5018832

>  <Cat> (126)
S7035

>  <Name> (126)
XL388

>  <Synonyms> (126)
N/A

>  <Target> (126)
mTOR

>  <Form> (126)
Free Base

>  <CAS> (126)
1251156-08-7

>  <URL> (126)
http://www.selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/01032011552D

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>  <Mol_ID> (127)
2544

>  <Formula> (127)
C24H27Cl2N5O

>  <MolWeight> (127)
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>  <Cat> (127)
S7306

>  <Name> (127)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (127)
BML-275,Compound C

>  <Target> (127)
AMPK

>  <Form> (127)
Dihydrochloride

>  <CAS> (127)
1219168-18-9

>  <URL> (127)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
WZ4003.cdx
csChFnd80/01032011552D

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AMPK

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>  <URL> (128)
http://www.selleckchem.com/products/wz4003.html

$$$$
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csChFnd80/01032011552D

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DMOG

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Dimethyloxalylglycine

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Hydroxylase

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Free Base

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89464-63-1

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

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GNE7915.cdx
csChFnd80/01032011552D

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C19H21F4N5O3

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S7528

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N/A

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Free Base

>  <CAS> (130)
1351761-44-8

>  <URL> (130)
http://www.selleckchem.com/products/gne-7915.html

$$$$
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>  <Synonyms> (131)
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>  <Target> (131)
HIF

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Free Base

>  <CAS> (131)
1227158-85-1

>  <URL> (131)
http://www.selleckchem.com/products/bay-87-2243.html

$$$$
Zotarolimus.cdx
csChFnd80/01032011552D

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1536200-31-3

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1303607-60-4

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>  <Mol_ID> (143)
2952

>  <Formula> (143)
C24H24N6O2S3

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524.68136

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S7753

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BPTES

>  <Synonyms> (143)
N/A

>  <Target> (143)
Glutaminase

>  <Form> (143)
Free Base

>  <CAS> (143)
314045-39-1

>  <URL> (143)
http://www.selleckchem.com/products/bptes.html

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Dorsomorphin.cdx
csChFnd80/01032011552D

 30 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (144)
2953

>  <Formula> (144)
C24H25N5O

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399.4882

>  <Cat> (144)
S7840

>  <Name> (144)
Dorsomorphin (Compound C)

>  <Synonyms> (144)
Compound C, BML-275

>  <Target> (144)
AMPK

>  <Form> (144)
Free Base

>  <CAS> (144)
866405-64-3

>  <URL> (144)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$
ONC201.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (145)
3016

>  <Formula> (145)
C24H26N4O

>  <MolWeight> (145)
386.48944

>  <Cat> (145)
S7963

>  <Name> (145)
TIC10

>  <Synonyms> (145)
N/A

>  <Target> (145)
Akt

>  <Form> (145)
Free Base

>  <CAS> (145)
1616632-77-9

>  <URL> (145)
http://www.selleck.cn/products/tic-10.html

$$$$
Akti-1.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (146)
3017

>  <Formula> (146)
C34H29N7O

>  <MolWeight> (146)
551.64036

>  <Cat> (146)
S7776

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Akti-1/2

>  <Synonyms> (146)
N/A

>  <Target> (146)
Akt

>  <Form> (146)
Free Base

>  <CAS> (146)
612847-09-3

>  <URL> (146)
http://www.selleck.cn/products/akti-1-2.html

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SirReal2.cdx
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SGLT

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1018899-04-1

>  <URL> (151)
http://www.selleckchem.com/products/sotagliflozin-lx4211.html

$$$$
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csChFnd80/01032011552D

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PI3K

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Free Base

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934493-76-2

>  <URL> (152)
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HIF

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Free Base

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223387-75-5

>  <URL> (153)
http://www.selleckchem.com/products/fg-2216.html

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NSC59984.cdx
csChFnd80/01032011552D

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p53

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803647-40-7

>  <URL> (154)
http://www.selleckchem.com/products/nsc59984.html

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csChFnd80/01032011552D

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>  <Target> (155)
HIF

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Free Base

>  <CAS> (155)
1154028-82-6

>  <URL> (155)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
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csChFnd80/01032011552D

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960539-70-2

>  <URL> (156)
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CC-223.cdx
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1223397-11-2

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http://www.selleckchem.com/products/wzb117.html

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GlyT

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845614-11-1

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738606-46-7

>  <URL> (162)
http://www.selleckchem.com/products/etc-1002.html

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Akt

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1386874-06-1

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126411-39-0

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 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (165)
3215

>  <Formula> (165)
C9H15NO3

>  <MolWeight> (165)
185.2203

>  <Cat> (165)
S7723

>  <Name> (165)
PRIMA-1

>  <Synonyms> (165)
2,2-Bis(hydroxymethyl)-3-quinuclidinone

>  <Target> (165)
p53

>  <Form> (165)
Free Base

>  <CAS> (165)
5608-24-2

>  <URL> (165)
http://www.selleckchem.com/products/prima-1.html

$$$$
Deguelin.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (166)
3247

>  <Formula> (166)
C23H22O6

>  <MolWeight> (166)
394.41718

>  <Cat> (166)
S8132

>  <Name> (166)
Deguelin

>  <Synonyms> (166)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (166)
Akt

>  <Form> (166)
Free Base

>  <CAS> (166)
522-17-8

>  <URL> (166)
http://www.selleckchem.com/products/deguelin.html

$$$$
S4702 Sarcosine.cdx
csChFnd80/01032011552D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (167)
3249

>  <Formula> (167)
C3H7NO2

>  <MolWeight> (167)
89.09318

>  <Cat> (167)
S4702

>  <Name> (167)
Sarcosine

>  <Synonyms> (167)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (167)
NMDAR

>  <Form> (167)
Free Base

>  <CAS> (167)
107-97-1

>  <URL> (167)
http://www.selleckchem.com/products/sarcosine.html

$$$$
GDC-0084.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (168)
3283

>  <Formula> (168)
C18H22N8O2

>  <MolWeight> (168)
382.41968

>  <Cat> (168)
S8163

>  <Name> (168)
GDC-0084

>  <Synonyms> (168)
N/A

>  <Target> (168)
PI3K

>  <Form> (168)
Free Base

>  <CAS> (168)
1382979-44-3

>  <URL> (168)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
CC-115.cdx
csChFnd80/01032011552D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (169)
3290

>  <Formula> (169)
C16H16N8O

>  <MolWeight> (169)
336.35124

>  <Cat> (169)
S7891

>  <Name> (169)
CC-115

>  <Synonyms> (169)
N/A

>  <Target> (169)
DNA-PK

>  <Form> (169)
Free Base

>  <CAS> (169)
1228013-15-7

>  <URL> (169)
http://www.selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/01032011552D

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1001908-89-9

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3343

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C34H51N3O3S

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Thiomyristoyl

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TM

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Sirtuin

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Free Base

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1429749-41-6

>  <URL> (174)
http://www.selleckchem.com/products/thiomyristoyl.html

$$$$
Salermide.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (175)
3348

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C26H22N2O2

>  <MolWeight> (175)
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>  <Cat> (175)
S8460

>  <Name> (175)
Salermide

>  <Synonyms> (175)
N/A

>  <Target> (175)
Sirtuin

>  <Form> (175)
Free Base

>  <CAS> (175)
1105698-15-4

>  <URL> (175)
http://www.selleckchem.com/products/salermide.html

$$$$
YC-1.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (176)
3350

>  <Formula> (176)
C19H16N2O2

>  <MolWeight> (176)
304.34254

>  <Cat> (176)
S7958

>  <Name> (176)
Lificiguat(YC-1)

>  <Synonyms> (176)
N/A

>  <Target> (176)
HIF

>  <Form> (176)
Free Base

>  <CAS> (176)
170632-47-0

>  <URL> (176)
http://www.selleckchem.com/products/lificiguat-yc-1.html

$$$$
MK-8617.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (177)
3360

>  <Formula> (177)
C24H21N5O4

>  <MolWeight> (177)
443.45464

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MK-8617

>  <Synonyms> (177)
N/A

>  <Target> (177)
HIF

>  <Form> (177)
Free Base

>  <CAS> (177)
1187990-87-9
1187990-87-9
1187990-87-9

>  <URL> (177)
http://www.selleckchem.com/products/mk-8617.html

$$$$
10074-G5.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (178)
3366

>  <Formula> (178)
C18H12N4O3

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>  <Name> (178)
10074-G5

>  <Synonyms> (178)
N/A

>  <Target> (178)
c-Myc

>  <Form> (178)
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>  <CAS> (178)
413611-93-5

>  <URL> (178)
http://www.selleckchem.com/products/10074-g5.html

$$$$
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csChFnd80/01032011552D

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M  END
>  <Mol_ID> (179)
3374

>  <Formula> (179)
C31H32ClN5O2S2

>  <MolWeight> (179)
606.20108

>  <Cat> (179)
S8481

>  <Name> (179)
SRT3025 HCl

>  <Synonyms> (179)
N/A

>  <Target> (179)
Sirtuin activator

>  <Form> (179)
hydrochloride

>  <CAS> (179)
2070015-26-6

>  <URL> (179)
http://www.selleckchem.com/products/srt3025.html

$$$$
3BDO.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (180)
3406

>  <Formula> (180)
C18H17NO5

>  <MolWeight> (180)
327.33128

>  <Cat> (180)
S8317

>  <Name> (180)
3BDO

>  <Synonyms> (180)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (180)
FKBP1A

>  <Form> (180)
free base

>  <CAS> (180)
890405-51-3

>  <URL> (180)
http://www.selleckchem.com/products/3bdo.html

$$$$
SF2523.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (181)
3411

>  <Formula> (181)
C19H17NO5S

>  <MolWeight> (181)
371.40698

>  <Cat> (181)
S8589

>  <Name> (181)
SF2523

>  <Synonyms> (181)
N/A

>  <Target> (181)
DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

>  <Form> (181)
free base

>  <CAS> (181)
1174428-47-7

>  <URL> (181)
http://www.selleckchem.com/products/sf2523.html

$$$$
Tofogliflozin(CSG 452).cdx
csChFnd80/01032011552D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (182)
3422

>  <Formula> (182)
C22H28O7

>  <MolWeight> (182)
404.45352

>  <Cat> (182)
S8558

>  <Name> (182)
Tofogliflozin(CSG 452)

>  <Synonyms> (182)
N/A

>  <Target> (182)
hSGLT2

>  <Form> (182)
hydrate 

>  <CAS> (182)
1201913-82-7

>  <URL> (182)
http://www.selleckchem.com/products/tofogliflozin-csg-452.html

$$$$
LW 6.cdx
csChFnd80/01032011552D

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C26H29NO5

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LW 6

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N/A

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HIF-1¦Á

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free base

>  <CAS> (183)
934593-90-5

>  <URL> (183)
http://www.selleckchem.com/products/lw-6.html

$$$$
Ipragliflozin(ASP1941).cdx
csChFnd80/01032011552D

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3440

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C21H21FO5S

>  <MolWeight> (184)
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>  <Name> (184)
Ipragliflozin (ASP1941)

>  <Synonyms> (184)
N/A

>  <Target> (184)
SGLT2 

>  <Form> (184)
free base

>  <CAS> (184)
761423-87-4

>  <URL> (184)
http://www.selleckchem.com/products/ipragliflozin-asp-1941.html

$$$$
3-TYP.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (185)
3441

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C7H6N4

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3-TYP

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3-(1H-1,2,3-triazol-4-yl) pyridine

>  <Target> (185)
SIRT3,SIRT1,SIRT2

>  <Form> (185)
free base

>  <CAS> (185)
120241-79-4

>  <URL> (185)
http://www.selleckchem.com/products/3-typ.html

$$$$
PF-06409577.cdx
csChFnd80/01032011552D

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3454

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C19H16ClNO3

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S8335

>  <Name> (186)
PF-06409577

>  <Synonyms> (186)
N/A

>  <Target> (186)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (186)
free base

>  <CAS> (186)
1467057-23-3

>  <URL> (186)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/01032011552D

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>  <Mol_ID> (187)
3467

>  <Formula> (187)
C12H8ClI

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S8639

>  <Name> (187)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (187)
N/A

>  <Target> (187)
NADPH oxidase

>  <Form> (187)
chloride

>  <CAS> (187)
4673-26-1

>  <URL> (187)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
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    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.2000    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
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  5  6  2  0  0  0  0
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  5  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  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 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 19  1  0  0  0  0
M  END
>  <Mol_ID> (188)
3475

>  <Formula> (188)
C19H22N6S

>  <MolWeight> (188)
366.48318

>  <Cat> (188)
S8580

>  <Name> (188)
COTI-2

>  <Synonyms> (188)
N/A

>  <Target> (188)
p53 mutants

>  <Form> (188)
free base

>  <CAS> (188)
1039455-84-9

>  <URL> (188)
http://www.selleckchem.com/products/coti-2.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/01032011552D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0124    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1798    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    6.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8144    6.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7512    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5297    1.9087    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  1  0  0  0  0
  5  1  2  0  0  0  0
  2  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  3  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  1  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  4 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (189)
3495

>  <Formula> (189)
C21H25ClN2O2

>  <MolWeight> (189)
372.8884

>  <Cat> (189)
S8483

>  <Name> (189)
CBL0137(CBL-0137)

>  <Synonyms> (189)
CBLC137, Curaxin 137

>  <Target> (189)
FACT,p53,NF-¦ÊB 

>  <Form> (189)
hydrochloride

>  <CAS> (189)
1197397-89-9

>  <URL> (189)
http://www.selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3752 isoleucine.cdx
csChFnd80/01032011552D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6380    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8484    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  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
  3  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (190)
3518

>  <Formula> (190)
C6H13NO2

>  <MolWeight> (190)
131.17292

>  <Cat> (190)
S3752

>  <Name> (190)
isoleucine

>  <Synonyms> (190)
Ile

>  <Target> (190)
Others

>  <Form> (190)
free base

>  <CAS> (190)
73-32-5

>  <URL> (190)
http://www.selleckchem.com/products/isoleucine.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/01032011552D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6380    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (191)
3519

>  <Formula> (191)
C6H13NO2

>  <MolWeight> (191)
131.17292

>  <Cat> (191)
S3753

>  <Name> (191)
L-Leucine

>  <Synonyms> (191)
(S)-Leucine, Leu

>  <Target> (191)
Others

>  <Form> (191)
free base

>  <CAS> (191)
61-90-5

>  <URL> (191)
http://www.selleckchem.com/products/l-leucine.html

$$$$
S3963 DL-Glutamine.cdx
csChFnd80/01032011552D

 10  9  0  0  0  0  0  0  0  0999 V2000
    6.0618    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6372    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  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  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (192)
3526

>  <Formula> (192)
C5H10N2O3

>  <MolWeight> (192)
146.1445

>  <Cat> (192)
S3963

>  <Name> (192)
DL-Glutamine

>  <Synonyms> (192)
Glutamin, 2-amino-4-carbamoylbutanoic acid

>  <Target> (192)
Others

>  <Form> (192)
free base

>  <CAS> (192)
1825942

>  <URL> (192)
http://www.selleckchem.com/products/dl-glutamine.html

$$$$
OSS_128167.cdx
csChFnd80/01032011552D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.8531    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9152    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1277    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    2.8000    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  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  9  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 23 18  1  0  0  0  0
 22 24  1  0  0  0  0
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 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (193)
3534

>  <Formula> (193)
C19H14N2O6

>  <MolWeight> (193)
366.32426

>  <Cat> (193)
S8627

>  <Name> (193)
OSS-128167

>  <Synonyms> (193)
SIRT6-IN-1

>  <Target> (193)
SIRT6,SIRT1,SIRT2

>  <Form> (193)
free base

>  <CAS> (193)
887686-02-4

>  <URL> (193)
http://www.selleckchem.com/products/oss-128167.html

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/01032011552D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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
    7.2746    2.1000    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
    7.2746    0.7000    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
    8.4870    2.8000    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
    0.0000    2.1000    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
    8.4870    4.2000    0.0000 O   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  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (194)
3666

>  <Formula> (194)
C14H11NOS

>  <MolWeight> (194)
241.30824

>  <Cat> (194)
S5304

>  <Name> (194)
2-Acetylphenothiazine (ML171)

>  <Synonyms> (194)
2-APT

>  <Target> (194)
NADPH-oxidase

>  <Form> (194)
free base

>  <CAS> (194)
6631-94-3

>  <URL> (194)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/01032011552D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (195)
3748

>  <Formula> (195)
C10H16N5O8P

>  <MolWeight> (195)
365.236501

>  <Cat> (195)
S5284

>  <Name> (195)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (195)
5'-Adenylic acid, 5'-AMP

>  <Target> (195)
AMPK

>  <Form> (195)
hydrate 

>  <CAS> (195)
18422-05-4

>  <URL> (195)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (196)
3770

>  <Formula> (196)
C18H16N2O

>  <MolWeight> (196)
276.33244

>  <Cat> (196)
S5313

>  <Name> (196)
SC66

>  <Synonyms> (196)
N/A

>  <Target> (196)
Akt

>  <Form> (196)
free base

>  <CAS> (196)
871361-88-5

>  <URL> (196)
http://selleckchem.com/products/sc66.html

$$$$
PK11007.cdx
csChFnd80/01032011552D

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M  END
>  <Mol_ID> (197)
3835

>  <Formula> (197)
C6H5ClN2O4S

>  <MolWeight> (197)
236.6329

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S8728

>  <Name> (197)
PK11007

>  <Synonyms> (197)
N/A

>  <Target> (197)
p53

>  <Form> (197)
free base

>  <CAS> (197)
38275-34-2

>  <URL> (197)
http://selleckchem.com/products/pk11007.html

$$$$
S5072 Rosuvastatin.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (198)
3854

>  <Formula> (198)
C22H28FN3O6S

>  <MolWeight> (198)
481.5376232

>  <Cat> (198)
S5072

>  <Name> (198)
Rosuvastatin

>  <Synonyms> (198)
N/A

>  <Target> (198)
HMG-CoA Reductase

>  <CAS> (198)
287714-41-4

>  <URL> (198)
http://selleckchem.com/products/rosuvastatin.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/01032011552D

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>  <Mol_ID> (199)
3856

>  <Formula> (199)
C3H8NO6P

>  <MolWeight> (199)
185.072481

>  <Cat> (199)
S5137

>  <Name> (199)
O-Phospho-L-serine

>  <Synonyms> (199)
Dexfosfoserine

>  <Target> (199)
GluR

>  <Form> (199)
free base

>  <CAS> (199)
407-41-0

>  <URL> (199)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5486 Fluorometholone.cdx
csChFnd80/01032011552D

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 14  6  1  0  0  0  0
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 10  8  1  0  0  0  0
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 16  9  2  0  0  0  0
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 27 17  1  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (200)
3950

>  <Formula> (200)
C22H29FO4

>  <MolWeight> (200)
376.4616632

>  <Cat> (200)
S5486

>  <Name> (200)
Fluorometholone

>  <Synonyms> (200)
Oxylone

>  <Target> (200)
Glucocorticoid Receptor

>  <Form> (200)
free base

>  <CAS> (200)
426-13-1

>  <URL> (200)
http://selleckchem.com/products/fluorometholone.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/01032011552D

 34 34  0  0  0  0  0  0  0  0999 V2000
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  1  8  1  1  0  0  0
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 17 19  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  1  6  0  0  0
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M  END
>  <Mol_ID> (201)
3986

>  <Formula> (201)
C24H35ClO9

>  <MolWeight> (201)
502.9823

>  <Cat> (201)
S5566

>  <Name> (201)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (201)
N/A

>  <Target> (201)
SGLT

>  <Form> (201)
monohydrate

>  <CAS> (201)
960404-48-2

>  <URL> (201)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/01032011552D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (202)
4026

>  <Formula> (202)
C20H18O6

>  <MolWeight> (202)
354.35332

>  <Cat> (202)
S3934

>  <Name> (202)
Acetyl Resveratrol

>  <Synonyms> (202)
N/A

>  <Target> (202)
Sirt12

>  <Form> (202)
free base

>  <CAS> (202)
42206-94-0

>  <URL> (202)
http://selleckchem.com/products/.html

$$$$
S5360 Diflorasone.cdx
csChFnd80/01032011552D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (203)
4049

>  <Formula> (203)
C22H28F2O5

>  <MolWeight> (203)
410.4515264

>  <Cat> (203)
S5360

>  <Name> (203)
Diflorasone

>  <Synonyms> (203)
N/A

>  <Target> (203)
Glucocorticoid receptor

>  <Form> (203)
free base

>  <CAS> (203)
2557-49-5

>  <URL> (203)
http://selleckchem.com/products/.html

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/01032011552D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (204)
4059

>  <Formula> (204)
C22H25ClO7

>  <MolWeight> (204)
436.8827

>  <Cat> (204)
S5413

>  <Name> (204)
Ertugliflozin

>  <Synonyms> (204)
PF-04971729?

>  <Target> (204)
SGLT2

>  <Form> (204)
free base

>  <CAS> (204)
1210344-57-2

>  <URL> (204)
http://selleckchem.com/products/.html

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/01032011552D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.3139    4.1415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3139    2.7574    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6501    4.5460    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1057    4.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897    2.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6342    2.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4913    3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    4.2054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9187    2.7893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0897    0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    4.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    2.0920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4328    0.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2563    2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2401    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1057    3.8009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027    1.1923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450    4.5494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0094    5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3617    6.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0163    6.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7211    7.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0736    7.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4330    9.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3049    5.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3049    1.3784    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 31  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 32  1  6  0  0  0
  3 23  1  6  0  0  0
  3 24  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  1  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  6  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  1  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (205)
4077

>  <Formula> (205)
C23H32O6

>  <MolWeight> (205)
404.49658

>  <Cat> (205)
S5501

>  <Name> (205)
Hydrocortisone acetate

>  <Synonyms> (205)
Hydrocortisone 21-acetate

>  <Target> (205)
Glucocorticoid receptor

>  <Form> (205)
free base

>  <CAS> (205)
18325

>  <URL> (205)
http://selleckchem.com/products/.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/01032011552D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4329    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8656    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    4.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    6.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    3.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    1.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    1.4068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    5.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4809    2.6481    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
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (206)
4140

>  <Formula> (206)
C15H24N2O2

>  <MolWeight> (206)
264.36326

>  <Cat> (206)
S9384

>  <Name> (206)
Sophocarpine Monohydrate

>  <Form> (206)
free base

>  <CAS> (206)
 145572-44-7

$$$$
S9062 4-Hydroxyisoleucine.cdx
csChFnd80/01032011552D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  3  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
    2.4249    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    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  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
  4  7  1  6  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (207)
4226

>  <Formula> (207)
C6H13NO3

>  <MolWeight> (207)
147.17232

>  <Cat> (207)
S9062

>  <Name> (207)
4-Hydroxyisoleucine

>  <Form> (207)
free base

>  <CAS> (207)
781658-23-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/01032011552D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    9.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.4997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248   11.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   12.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   10.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0001    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    6.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3869    3.7734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8218    2.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3869    6.0266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9566    7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5210    6.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    6.9994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0965    2.8004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  6  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 21 29  1  1  0  0  0
 22 30  1  1  0  0  0
M  END
>  <Mol_ID> (208)
4428

>  <Formula> (208)
C17H26O11

>  <MolWeight> (208)
406.38174

>  <Cat> (208)
S9307

>  <Name> (208)
Shanzhiside methyl ester

>  <Form> (208)
free base

>  <CAS> (208)
64421-28-9

$$$$
S5729 Fosfosal.cdx
csChFnd80/01032011552D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    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
    1.2124    5.6000    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
    3.6373    2.8000    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  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 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (209)
4581

>  <Formula> (209)
C7H7O6P

>  <MolWeight> (209)
218.100641

>  <Cat> (209)
S5729

>  <Name> (209)
Fosfosal

>  <Target> (209)
GLI3

>  <Form> (209)
free base

>  <CAS> (209)
6064-83-1

>  <URL> (209)
http://selleckchem.com/products/.html

$$$$

csChFnd80/01032011552D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0787    2.1178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8783    2.8222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2883    2.8222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0655    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    2.1178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8871    4.2178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8649    1.4178    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2883    4.2178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6176    2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4591    2.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775    3.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3017    5.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4328    3.5356    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4591    0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451    2.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0695    5.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8374    3.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4253    6.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1568    7.0268    0.0000 O   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
   10.8861    7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877    3.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4404    1.4305    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 28  1  1  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  1  0  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 13  1  1  0  0  0
  6 14  1  0  0  0  0
  6 15  1  1  0  0  0
  8 16  1  0  0  0  0
  8 17  1  1  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 16 21  1  1  0  0  0
 16 18  1  0  0  0  0
 18 22  1  6  0  0  0
 19 23  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
  3 29  1  6  0  0  0
M  END
>  <Mol_ID> (210)
4687

>  <Formula> (210)
C22H29FO4

>  <MolWeight> (210)
376.4616632

>  <Cat> (210)
S5685

>  <Name> (210)
Desoximetasone

>  <Synonyms> (210)
Desoxymethasone, Desoximetasonum

>  <Target> (210)
Glucocorticoid Recep

>  <Form> (210)
Free Base

>  <CAS> (210)
382-67-2

>  <URL> (210)
http://www.selleckchem.com/products/desoximetasone.html

$$$$

csChFnd80/01032011552D

 31 32  0  0  0  0  0  0  0  0999 V2000
    6.0499    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    2.1042    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8448    2.8084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6397    4.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2599    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2697    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4748    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300    2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    5.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3392    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    0.7127    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4797    2.0958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6446    6.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7640    5.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5443    3.7196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.1281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9143    5.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4894    5.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    0.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.1365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1194    3.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6945    3.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    4.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    2.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    3.5042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6945    2.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  3  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 30  1  1  0  0  0
  3  7  1  6  0  0  0
 10  3  1  0  0  0  0
  4  7  1  0  0  0  0
 16  4  2  0  0  0  0
 21  4  1  0  0  0  0
  9  5  2  0  0  0  0
 14  6  1  0  0  0  0
  8 13  1  1  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 12 19  1  0  0  0  0
 22 13  1  0  0  0  0
 14 23  1  1  0  0  0
 19 20  1  0  0  0  0
 19 25  1  6  0  0  0
 20 24  1  0  0  0  0
 27 21  1  0  0  0  0
 21 28  1  1  0  0  0
 24 22  1  0  0  0  0
 24 26  1  6  0  0  0
 29 27  1  0  0  0  0
 15 31  1  1  0  0  0
M  END
>  <Mol_ID> (211)
4699

>  <Formula> (211)
C23H36O7

>  <MolWeight> (211)
424.52774

>  <Cat> (211)
S5713

>  <Name> (211)
Pravastatin

>  <Synonyms> (211)
N/A

>  <Target> (211)
HMG-CoA Reductase

>  <Form> (211)
Free Base

>  <CAS> (211)
81093-37-0

>  <URL> (211)
http://www.selleckchem.com/products/pravastatin.html

$$$$

csChFnd80/01032011552D

 41 44  0  0  0  0  0  0  0  0999 V2000
    5.9799    4.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3816    4.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702    5.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1415    3.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405    5.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1910    3.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160    6.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    6.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7513    3.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6899    2.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1784    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6001    2.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5854    3.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7341    8.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9766    7.7377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441    5.3858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9058    2.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1565    5.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026    1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3910    2.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9548    8.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    8.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6522    8.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5130    5.6439    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8023    1.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819    9.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951    7.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4911    4.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8914    6.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6116    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572   10.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8476    4.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8257    3.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2260    6.3363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1822    4.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1603    3.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5606    5.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5  7  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
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 17 25  2  0  0  0  0
 18 25  1  0  0  0  0
 26 19  1  0  0  0  0
 20 27  1  0  0  0  0
 21 27  2  0  0  0  0
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  1  0  0  0
 27 32  1  0  0  0  0
 28 33  2  0  0  0  0
 29 34  1  0  0  0  0
 30 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (212)
4700

>  <Formula> (212)
C33H35FN2O5

>  <MolWeight> (212)
558.6398032

>  <Cat> (212)
S5715

>  <Name> (212)
atorvastatin

>  <Synonyms> (212)
N/A

>  <Target> (212)
HMG-CoA Reductase

>  <Form> (212)
Free Base

>  <CAS> (212)
110862-48-1

>  <URL> (212)
http://www.selleckchem.com/products/atorvastatin.html

$$$$

csChFnd80/01032011552D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7921    1.5112    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1203    1.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1203    3.3477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    3.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9659    2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124    5.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8196    5.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5731    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4550    1.5189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2746    2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4484    3.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6746    2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    3.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7711    3.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4682    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7714    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3781    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8746    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4575    0.0000    0.0000 Br  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  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  4  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  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 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (213)
4755

>  <Formula> (213)
C16H17BrN2S

>  <MolWeight> (213)
349.28858

>  <Cat> (213)
S5791

>  <Name> (213)
Cyclic Pifithrin-¦Á hydrobromide 

>  <Synonyms> (213)
N/A

>  <Target> (213)
p53

>  <Form> (213)
hydrobromide 

>  <CAS> (213)
511296-88-1

>  <URL> (213)
http://www.selleckchem.com/products/cyclic-pifithrin-hydrobromide.html

$$$$

csChFnd80/01032011552D

 15 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  2  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
    2.4249    4.2000    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
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    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  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  5  8  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  6  0  0  0
  9 10  1  0  0  0  0
  2  9  1  1  0  0  0
  5 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (214)
4761

>  <Formula> (214)
C8H15N3O4

>  <MolWeight> (214)
217.2224

>  <Cat> (214)
S5801

>  <Name> (214)
Ala-Gln

>  <Synonyms> (214)
l-alanyl-l-glutamine

>  <Target> (214)
Others

>  <Form> (214)
Free Base

>  <CAS> (214)
39537-23-0

>  <URL> (214)
http://www.selleckchem.com/products/ala-gln.html

$$$$

csChFnd80/01032011552D

 63 68  0  0  0  0  0  0  0  0999 V2000
    2.4165   10.7868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (215)
4820

>  <Formula> (215)
C48H52F2O11S2

>  <MolWeight> (215)
907.0466864

>  <Cat> (215)
S5901

>  <Name> (215)
Canagliflozin hemihydrate

>  <Synonyms> (215)
N/A

>  <Target> (215)
SGLT

>  <Form> (215)
hemihydrate

>  <CAS> (215)
928672-86-0

>  <URL> (215)
http://www.selleckchem.com/products/canagliflozin-hemihydrate.html

$$$$

csChFnd80/01032011552D

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M  END
>  <Mol_ID> (216)
4831

>  <Formula> (216)
C19H21BrN2O3S

>  <MolWeight> (216)
437.35064

>  <Cat> (216)
S5914

>  <Name> (216)
AK 7

>  <Synonyms> (216)
N/A

>  <Target> (216)
Sirtuin

>  <Form> (216)
Free Base

>  <CAS> (216)
420831-40-9

>  <URL> (216)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/01032011552D

 30 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (217)
4835

>  <Formula> (217)
C22H15FN4O2S

>  <MolWeight> (217)
418.4435032

>  <Cat> (217)
S5918

>  <Name> (217)
CAY10602

>  <Synonyms> (217)
N/A

>  <Target> (217)
Sirtuin

>  <Form> (217)
Free Base

>  <CAS> (217)
374922-43-7

>  <URL> (217)
http://www.selleckchem.com/products/cay10602.html

$$$$

csChFnd80/01032011552D

 31 35  0  0  0  0  0  0  0  0999 V2000
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   11.7709    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    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
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (218)
4863

>  <Formula> (218)
C24H18ClN3O3

>  <MolWeight> (218)
431.87102

>  <Cat> (218)
S8654

>  <Name> (218)
ex229 (compound 991)

>  <Synonyms> (218)
N/A

>  <Target> (218)
AMPK

>  <Form> (218)
Free Base

>  <CAS> (218)
1219739-36-2

>  <URL> (218)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/01032011552D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.3587    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3587    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2084    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6333    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6333    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0582    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0582    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2706    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1463    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    4.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    1.8904    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
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  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
 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
  8 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  8  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  8  1  0  0  0  0
 25 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (219)
4888

>  <Formula> (219)
C23H32N2O2

>  <MolWeight> (219)
368.51238

>  <Cat> (219)
S8771

>  <Name> (219)
IDF-11774

>  <Synonyms> (219)
N/A

>  <Target> (219)
HIF

>  <Form> (219)
Free Base

>  <CAS> (219)
1429054-28-3

>  <URL> (219)
http://www.selleckchem.com/products/idf-11774.html

$$$$

csChFnd80/01032011552D

 33 37  0  0  0  0  0  0  0  0999 V2000
   17.4509    3.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0509    3.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509    3.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9476    4.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3476    4.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1476    4.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1542    2.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0575    0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2444    5.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8444    5.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0245    4.4939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    4.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6881    6.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0184    6.7591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4813    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2632    6.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4738    7.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    4.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316    4.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    2.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489    7.0131    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
  3 10  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
 12 16  2  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
 15 20  2  0  0  0  0
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  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 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (220)
4897

>  <Formula> (220)
C27H19ClN2O3

>  <MolWeight> (220)
454.90436

>  <Cat> (220)
S8803

>  <Name> (220)
MK-3903

>  <Synonyms> (220)
N/A

>  <Target> (220)
AMPK

>  <Form> (220)
Free Base

>  <CAS> (220)
1219737-12-8

>  <URL> (220)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/01032011552D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   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
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (221)
5053

>  <Formula> (221)
C6H12O3

>  <MolWeight> (221)
132.15768

>  <Cat> (221)
S6046

>  <Name> (221)
(S)-Leucic acid

>  <Synonyms> (221)
(S)-¦Á-hydroxyisocaproic acid

>  <Target> (221)
Others

>  <Form> (221)
free base

>  <CAS> (221)
13748-90-8

>  <URL> (221)
http://www.selleck.cn/products/s-leucic-acid.html

$$$$

csChFnd80/01032011552D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3530    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    7.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6707    2.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4943    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6707    0.7476    0.0000 C   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  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  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
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (222)
5075

>  <Formula> (222)
C13H16N2O4

>  <MolWeight> (222)
264.27714

>  <Cat> (222)
S6076

>  <Name> (222)
Phenylacetylglutamine

>  <Synonyms> (222)
N/A

>  <Target> (222)
Others

>  <Form> (222)
free base

>  <CAS> (222)
28047-15-6

>  <URL> (222)
http://www.selleck.cn/products/phenylacetylglutamine.html

$$$$

csChFnd80/01032011552D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    9.6424    3.2835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0300    3.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5998    1.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9922    1.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8149    2.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2452    4.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8528    4.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2026    2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9026    1.4878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2719    1.7796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4126    3.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1390    3.7412    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.6210    3.8789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8274    3.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0367    3.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8274    1.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2446    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2446    1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4576    1.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6704    1.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6704    3.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4578    3.8845    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 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 15  1  0  0  0  0
 15 11  1  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 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  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
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (223)
5233

>  <Formula> (223)
C25H26N8O2S2

>  <MolWeight> (223)
534.65634

>  <Cat> (223)
S8778

>  <Name> (223)
UPGL00004

>  <Synonyms> (223)
N/A

>  <Target> (223)
Glutaminase

>  <Form> (223)
free base

>  <CAS> (223)
1890169-95-5

>  <URL> (223)
http://www.selleck.cn/products/upgl00004.html

$$$$

csChFnd80/01032011552D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   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    4.2000    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
    1.2124    1.4000    0.0000 C   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
    1.2124    5.6000    0.0000 O   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
    4.8497    2.1000    0.0000 O   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   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  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (224)
5243

>  <Formula> (224)
C8H16N2O3

>  <MolWeight> (224)
188.22424

>  <Cat> (224)
S6054

>  <Name> (224)
Glycyl-L-leucine

>  <Synonyms> (224)
N/A

>  <Target> (224)
Others

>  <Form> (224)
free base

>  <CAS> (224)
869-19-2

>  <URL> (224)
http://www.selleck.cn/products/glycyl-l-leucine.html

$$$$

csChFnd80/01032011552D

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  2  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
    2.4249    2.1000    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
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   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
    8.4870    0.0000    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
  5  2  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  5  8  1  0  0  0  0
  5  9  1  6  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (225)
5262

>  <Formula> (225)
C9H18N2O3

>  <MolWeight> (225)
202.25082

>  <Cat> (225)
S6153

>  <Name> (225)
L-Leucyl-L-alanine Hydrate

>  <Synonyms> (225)
H-Leu-Ala-OH

>  <Target> (225)
Others

>  <Form> (225)
Hydrate

>  <CAS> (225)
7298-84-2

>  <URL> (225)
http://www.selleck.cn/products/l-leucyl-l-alanine-hydrate.html

$$$$

csChFnd80/01032011552D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8505    1.4009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6363    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    3.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    3.5009    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
  3  6  1  0  0  0  0
  3  7  2  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
M  END
>  <Mol_ID> (226)
5269

>  <Formula> (226)
C5H9NO4

>  <MolWeight> (226)
147.12926

>  <Cat> (226)
S6266

>  <Name> (226)
(S)-Glutamic acid

>  <Synonyms> (226)
L-Glutamic acid

>  <Target> (226)
GluR

>  <Form> (226)
free base

>  <CAS> (226)
56-86-0

>  <URL> (226)
http://www.selleck.cn/products/s-glutamic-acid.html

$$$$

csChFnd80/01032011552D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   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
    3.6373    2.8000    0.0000 N   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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   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
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    4.7694    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
  5  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  6  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 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
  8 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (227)
5354

>  <Formula> (227)
C21H20N4O

>  <MolWeight> (227)
344.4097

>  <Cat> (227)
S6417

>  <Name> (227)
GK921

>  <Synonyms> (227)
N/A

>  <Target> (227)
Glutaminase

>  <Form> (227)
Free Base

>  <CAS> (227)
1025015-40-0

>  <URL> (227)
http://www.selleck.cn/products/gk921.html

$$$$

csChFnd80/01032011552D

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.9145    8.4047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    7.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    6.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4887    5.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    7.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4877    8.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    9.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1256    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    5.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349    5.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    6.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    7.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    7.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    8.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    9.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2666    3.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2666    2.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    1.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    1.4103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6255    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1035    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4827    4.2134    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  1  0  0  0  0
  1  9  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
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 17  1  0  0  0  0
 10 11  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 24 26  1  0  0  0  0
 21 29  1  0  0  0  0
 10 20  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (228)
6757

>  <Formula> (228)
C23H24ClN3O2

>  <MolWeight> (228)
409.90856

>  <Cat> (228)
S6608

>  <Name> (228)
AL082D06

>  <Synonyms> (228)
N/A

>  <Target> (228)
Glucocorticoid Recep

>  <Form> (228)
free base

>  <CAS> (228)
256925-03-8

>  <URL> (228)
http://www.selleck.cn/products/al082D06.html

$$$$

csChFnd80/01032011552D

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    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
    1.2124    4.9000    0.0000 O   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
    2.4249    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 15 10  1  0  0  0  0
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  7 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
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 33 35  1  0  0  0  0
 19 36  1  0  0  0  0
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 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (229)
6770

>  <Formula> (229)
C34H38N2O4

>  <MolWeight> (229)
538.67652

>  <Cat> (229)
S8818

>  <Name> (229)
V-9302

>  <Synonyms> (229)
N/A

>  <Target> (229)
Amino acid transport

>  <Form> (229)
free base

>  <CAS> (229)
1855871-76-9

>  <URL> (229)
http://www.selleck.cn/products/v-9302.html

$$$$
