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>  <Mol_ID> (1)
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S1002

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N/A

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Bcl-2 

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Free Base

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http://www.selleckchem.com/products/ABT-737.html

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

$$$$
untitled.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (2)
10

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>  <MolWeight> (2)
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>  <Item Name> (2)
Bortezomib (Velcade)

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S1013

>  <Synonyms> (2)
MG-341, PS-341

>  <Target> (2)
Proteasome

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
179324-69-7

$$$$
CI1040.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (3)
14

>  <Formula> (3)
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S1020

>  <Synonyms> (3)
N/A 

>  <Target> (3)
MEK 

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

>  <CAS Number> (3)
212631-79-3

$$$$
untitled.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (4)
17

>  <Formula> (4)
C53H84NO14P

>  <MolWeight> (4)
990.206121

>  <Item Name> (4)
Deforolimus (MK-8669) 

>  <Catalog Number> (4)
S1022

>  <Synonyms> (4)
AP23573, MK-8669

>  <Target> (4)
mTOR

>  <Form> (4)
Free Base

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

>  <CAS Number> (4)
572924-54-0

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (5)
24

>  <Formula> (5)
C22H29N5O9P2

>  <MolWeight> (5)
569.441282

>  <Item Name> (5)
Motesanib Diphosphate (AMG-706)

>  <Catalog Number> (5)
S1032

>  <Synonyms> (5)
AMG-706

>  <Target> (5)
VEGFR, PDGFR, c-Kit

>  <Form> (5)
Diphosphate

>  <URL> (5)
http://www.selleckchem.com/products/Motesanib-Diphosphate.html

>  <CAS Number> (5)
857876-30-3

$$$$
untitled.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (6)
27

>  <Formula> (6)
C16H14F3IN2O4

>  <MolWeight> (6)
482.1930396

>  <Item Name> (6)
PD0325901

>  <Catalog Number> (6)
S1036

>  <Synonyms> (6)
N/A

>  <Target> (6)
MEK 

>  <Form> (6)
Free Base

>  <URL> (6)
http://www.selleckchem.com/products/PD-0325901.html

>  <CAS Number> (6)
391210-10-9

$$$$
AR-42.cdx
csChFnd80/10101813202D

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HDAC 

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Flt

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387867-13-2

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STA-4783

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HSP

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488832-69-5

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51

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Luminespib (AUY-922, NVP-AUY922)

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S1069

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VER-52296

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HSP

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Free Base

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http://www.selleckchem.com/products/NVP-AUY922.html

>  <CAS Number> (11)
747412-49-3

$$$$
1.cdx
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>  <Mol_ID> (12)
52

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C19H21F2N7O2

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ZSTK474

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S1072

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N/A

>  <Target> (12)
PI3K 

>  <Form> (12)
Free Base

>  <URL> (12)
http://www.selleckchem.com/products/ZSTK474.html

>  <CAS Number> (12)
475110-96-4

$$$$

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>  <Mol_ID> (13)
56

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C25H23Cl2N5O

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MK-2206 dihydrochloride

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S1078

>  <Synonyms> (13)
N/A

>  <Target> (13)
Akt

>  <Form> (13)
Dihydrochloride

>  <URL> (13)
http://www.selleckchem.com/products/MK-2206.html

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

$$$$
Brivanib.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (14)
60

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C19H19FN4O3

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Brivanib (BMS-540215)

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S1084

>  <Synonyms> (14)
N/A 

>  <Target> (14)
VEGFR, FGFR

>  <Form> (14)
Free Base

>  <URL> (14)
http://www.selleckchem.com/products/Brivanib.html

>  <CAS Number> (14)
649735-46-6

$$$$
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827318-97-8

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755038-02-9

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Phospholipase

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172732-68-2

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PARP 

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3544-24-9

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Bcr-Abl, JAK, Aurora Kinase

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896466-04-9

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Andarine (GTX-007)

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GTX-007

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Androgen Receptor 

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Free Base

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

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401900-40-1

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VEGFR, FGFR

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Alaninate

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649735-63-7

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NSC 707545 

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HSP

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Hydrochloride

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http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

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467214-21-7

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untitled.cdx
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BMS-387032

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CDK 

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Free Base

>  <URL> (29)
http://www.selleckchem.com/products/SNS-032.html

>  <CAS Number> (29)
345627-80-7

$$$$
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Microtubule Associated

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/ABT-751.html

>  <CAS Number> (30)
141430-65-1

$$$$
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EGFR, HER2

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Free Base

>  <URL> (31)
http://www.selleckchem.com/products/CP-724714.html

>  <CAS Number> (31)
537705-08-1

$$$$
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M  END
>  <Mol_ID> (37)
130

>  <Formula> (37)
C35H46FN5O9S

>  <MolWeight> (37)
731.8312432

>  <Item Name> (37)
Danoprevir (ITMN-191)

>  <Catalog Number> (37)
S1183

>  <Synonyms> (37)
RG7227, ITMN-191, RO5190591

>  <Target> (37)
Proteasome, HCV Protease

>  <Form> (37)
Free Base

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

>  <CAS Number> (37)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/10101813202D

 28 29  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (38)
132

>  <Formula> (38)
C19H14F3N3O3

>  <MolWeight> (38)
389.3279696

>  <Item Name> (38)
MK-2866 (GTx-024)

>  <Catalog Number> (38)
S1174

>  <Synonyms> (38)
Enobosarm, ostarine

>  <Target> (38)
Androgen Receptor

>  <Form> (38)
Free Base

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

>  <CAS Number> (38)
841205-47-8

$$$$
OSI-930.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (39)
157

>  <Formula> (39)
C22H16F3N3O2S

>  <MolWeight> (39)
443.4415496

>  <Item Name> (39)
OSI-930

>  <Catalog Number> (39)
S1220

>  <Synonyms> (39)
N/A

>  <Target> (39)
c-Kit, VEGFR

>  <Form> (39)
Free Base

>  <URL> (39)
http://www.selleckchem.com/products/OSI-930.html

>  <CAS Number> (39)
728033-96-3

$$$$
2-Methoxyestradiol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (40)
167

>  <Formula> (40)
C19H26O3

>  <MolWeight> (40)
302.40794

>  <Item Name> (40)
2-Methoxyestradiol

>  <Catalog Number> (40)
S1233

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362-07-2

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Akt

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7689-03-4

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958852-01-2

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mgcd265.cdx
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c-Met, VEGFR, Tie-2 

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875337-44-3

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Integrase

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http://www.selleckchem.com/products/BMS-707035.html

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729607-74-3

$$$$
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Actonel

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Sodium salt

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115436-72-1

$$$$
Tipifarnib.cdx
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PLK 

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Free Base

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173529-46-9 

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EGFR, Flt, VEGFR, HER2

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860352-01-8

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DCC-2036 (Rebastinib)

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N/A 

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Bcr-Abl

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Free Base

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http://www.selleckchem.com/products/dcc-2036.html

>  <CAS Number> (62)
1020172-07-9

$$$$
SOLATENE (beta carotene).cdx
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>  <Mol_ID> (63)
538

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C40H56

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Beta Carotene

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S1767

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¦Â,¦Â-Carotene, Provitamin A, Solatene, ¦Â-Carotene 

>  <Target> (63)
Others

>  <Form> (63)
Free Base

>  <URL> (63)
http://www.selleckchem.com/products/Beta-Carotene.html

>  <CAS Number> (63)
7235-40-7

$$$$
Deferiprone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (64)
563

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C7H9NO2

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Deferiprone

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S4067

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N/A

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Others

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Free Base

>  <URL> (64)
http://www.selleckchem.com/products/deferiprone.html

>  <CAS Number> (64)
30652-11-0

$$$$
Daidzein.cdx
csChFnd80/10101813202D

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569

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C15H10O4

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N/A

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Free Base

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

>  <CAS Number> (65)
486-66-8 

$$$$
Silymarin.cdx
csChFnd80/10101813202D

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 10 13  2  0  0  0  0
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 27 22  1  0  0  0  0
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  7  8  1  0  0  0  0
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 26 35  1  0  0  0  0
M  END
>  <Mol_ID> (66)
601

>  <Formula> (66)
C25H22O10

>  <MolWeight> (66)
482.43618

>  <Item Name> (66)
Silymarin (Silybin B)

>  <Catalog Number> (66)
S2358

>  <Synonyms> (66)
Silybin B, Silibinin B

>  <Target> (66)
NULL

>  <Form> (66)
Free Base

>  <URL> (66)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (66)
65666-07-1

$$$$
Tanshinone I.cdx
csChFnd80/10101813202D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
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 17 14  1  0  0  0  0
  6 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (67)
606

>  <Formula> (67)
C18H12O3

>  <MolWeight> (67)
276.28608

>  <Item Name> (67)
Tanshinone I

>  <Catalog Number> (67)
S2364

>  <Synonyms> (67)
N/A

>  <Target> (67)
Others

>  <Form> (67)
Free Base

>  <URL> (67)
http://www.selleckchem.com/products/Tanshinone-I.html

>  <CAS Number> (67)
568-73-0

$$$$
Tanshinone IIA.cdx
csChFnd80/10101813202D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (68)
607

>  <Formula> (68)
C19H18O3

>  <MolWeight> (68)
294.34442

>  <Item Name> (68)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (68)
S2365

>  <Synonyms> (68)
Tanshinone B, Tanshinone II

>  <Target> (68)
Lipase

>  <Form> (68)
Free Base

>  <URL> (68)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (68)
568-72-9

$$$$
Ursolic acid.cdx
csChFnd80/10101813202D

 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
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    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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 19 25  1  1  0  0  0
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 22 28  1  1  0  0  0
 18 29  1  1  0  0  0
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  4 33  1  6  0  0  0
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 11 35  1  6  0  0  0
 21 36  1  6  0  0  0
M  END
>  <Mol_ID> (69)
611

>  <Formula> (69)
C30H48O3

>  <MolWeight> (69)
456.70032

>  <Item Name> (69)
Ursolic acid (Malol)

>  <Catalog Number> (69)
S2370

>  <Synonyms> (69)
Malol, Prunol, Urson

>  <Target> (69)
Others

>  <Form> (69)
Free Base

>  <URL> (69)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (69)
77-52-1

$$$$
Gastrodin.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 19  1  6  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (70)
624

>  <Formula> (70)
C13H18O7

>  <MolWeight> (70)
286.27782

>  <Item Name> (70)
Gastrodin (Gastrodine)

>  <Catalog Number> (70)
S2383

>  <Synonyms> (70)
Gastrodine

>  <Target> (70)
Others

>  <Form> (70)
Free Base

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

>  <CAS Number> (70)
62499-27-8 

$$$$
Indirubin.cdx
csChFnd80/10101813202D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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C16H10N2O2

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Indirubin

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S2386

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N/A

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GSK-3

>  <Form> (71)
Free Base

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

>  <CAS Number> (71)
479-41-4 

$$$$
Polydatin.cdx
csChFnd80/10101813202D

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631

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C20H22O8

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S2390

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Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

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Phospholipase (e.g. PLA)

>  <Form> (72)
Free Base

>  <URL> (72)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (72)
65914-17-2

$$$$
Naringenin.cdx
csChFnd80/10101813202D

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635

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C15H12O5

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272.25278

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Naringenin

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S2394

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N/A

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P450

>  <Form> (73)
Free Base

>  <URL> (73)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (73)
480-41-1

$$$$
AZD8330.cdx
csChFnd80/10101813202D

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653

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C16H17FIN3O4

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N/A 

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MEK

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Free Base

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http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

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869357-68-6

$$$$
Creatinine.cdx
csChFnd80/10101813202D

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60-27-5

$$$$
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GPR 

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>  <CAS Number> (76)
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1000669-72-6

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927880-90-8

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HDAC 

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Chloride

>  <URL> (79)
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M  END
>  <Mol_ID> (80)
683

>  <Formula> (80)
C31H34Cl2N2O3

>  <MolWeight> (80)
553.51926

>  <Item Name> (80)
SB743921 HCl

>  <Catalog Number> (80)
S2182 

>  <Synonyms> (80)
N/A

>  <Target> (80)
Kinesin

>  <Form> (80)
Hydrochloride

>  <URL> (80)
http://www.selleckchem.com/products/SB-743921.html

>  <CAS Number> (80)
940929-33-9

$$$$
ivermectin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (81)
684

>  <Formula> (81)
C48H74O14

>  <MolWeight> (81)
875.09276

>  <Item Name> (81)
Ivermectin

>  <Catalog Number> (81)
S1351

>  <Synonyms> (81)
Stromectol

>  <Target> (81)
Antifection

>  <Form> (81)
Free Base

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

>  <CAS Number> (81)
70288-86-7

$$$$
Avasimibe.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (82)
686

>  <Formula> (82)
C29H43NO4S

>  <MolWeight> (82)
501.72102

>  <Item Name> (82)
Avasimibe (CI-1011)

>  <Catalog Number> (82)
S2187

>  <Synonyms> (82)
CI-1011

>  <Target> (82)
P450

>  <Form> (82)
Free Base

>  <URL> (82)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

>  <CAS Number> (82)
166518-60-1 

$$$$
AZD8931.cdx
csChFnd80/10101813202D

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C23H15ClF2N4O3

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BMS 794833

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BMS794833

>  <Target> (87)
c-Met, VEGFR

>  <Form> (87)
Free Base

>  <URL> (87)
http://www.selleckchem.com/products/BMS-794833.html

>  <CAS Number> (87)
1174046-72-0

$$$$
CYT 387.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (88)
707

>  <Formula> (88)
C23H22N6O2

>  <MolWeight> (88)
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>  <Item Name> (88)
Momelotinib (CYT387)

>  <Catalog Number> (88)
S2219

>  <Synonyms> (88)
CYT 11387 

>  <Target> (88)
JAK 

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/Cyt387.html

>  <CAS Number> (88)
1056634-68-4

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (89)
710

>  <Formula> (89)
C22H18O11

>  <MolWeight> (89)
458.37172

>  <Item Name> (89)
(-)-Epigallocatechin gallate

>  <Catalog Number> (89)
S2250

>  <Synonyms> (89)
EGCG

>  <Target> (89)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (89)
Free Base

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

>  <CAS Number> (89)
989-51-5

$$$$
4-Methylumbelliferone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (90)
714

>  <Formula> (90)
C10H8O3

>  <MolWeight> (90)
176.16872

>  <Item Name> (90)
4-Methylumbelliferone (4-MU)

>  <Catalog Number> (90)
S2256

>  <Synonyms> (90)
4-MU

>  <Target> (90)
Others

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

>  <CAS Number> (90)
90-33-5

$$$$
Andrographolide.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (91)
717

>  <Formula> (91)
C20H30O5

>  <MolWeight> (91)
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>  <Item Name> (91)
Andrographolide

>  <Catalog Number> (91)
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>  <Synonyms> (91)
N/A

>  <Target> (91)
NF-¦ÊB

>  <Form> (91)
Free Base

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

>  <CAS Number> (91)
5508-58-7

$$$$
Apigenin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (92)
718

>  <Formula> (92)
C15H10O5

>  <MolWeight> (92)
270.2369

>  <Item Name> (92)
Apigenin

>  <Catalog Number> (92)
S2262

>  <Synonyms> (92)
N/A

>  <Target> (92)
P450

>  <Form> (92)
Free Base

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

>  <CAS Number> (92)
520-36-5

$$$$
Arbutin.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (93)
719

>  <Formula> (93)
C12H16O7

>  <MolWeight> (93)
272.25124

>  <Item Name> (93)
Arbutin (Uva, p-Arbutin)

>  <Catalog Number> (93)
S2263

>  <Synonyms> (93)
Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

>  <Target> (93)
Estrogen/progestogen Receptor

>  <Form> (93)
Free Base

>  <URL> (93)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

>  <CAS Number> (93)
497-76-7

$$$$
Baicalein.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (94)
722

>  <Formula> (94)
C15H10O5

>  <MolWeight> (94)
270.2369

>  <Item Name> (94)
Baicalein

>  <Catalog Number> (94)
S2268

>  <Synonyms> (94)
N/A

>  <Target> (94)
P450

>  <Form> (94)
Free Base

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

>  <CAS Number> (94)
491-67-8

$$$$
PNU200577.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (95)
724

>  <Formula> (95)
C22H31NO2

>  <MolWeight> (95)
341.48704

>  <Item Name> (95)
5-hydroxymethyl tolterodine (PNU 200577)

>  <Catalog Number> (95)
S2659 

>  <Synonyms> (95)
N/A

>  <Target> (95)
AChR 

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/5-hydroxymethyl-tolterodine-pnu-200577.html

>  <CAS Number> (95)
207679-81-0

$$$$
VX 765.cdx
csChFnd80/10101813202D

 35 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (96)
727

>  <Formula> (96)
C24H33ClN4O6

>  <MolWeight> (96)
508.99502

>  <Item Name> (96)
Belnacasan (VX-765)

>  <Catalog Number> (96)
S2228

>  <Synonyms> (96)
N/A

>  <Target> (96)
Caspase

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (96)
273404-37-8

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (97)
729

>  <Formula> (97)
C20H18ClNO4

>  <MolWeight> (97)
371.81422

>  <Item Name> (97)
Berberine chloride

>  <Catalog Number> (97)
S2271

>  <Synonyms> (97)
N/A

>  <Target> (97)
Antifection

>  <Form> (97)
chloride

>  <URL> (97)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (97)
633-65-8

$$$$
Bilobalide.cdx
csChFnd80/10101813202D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.2921    5.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (98)
731

>  <Formula> (98)
C15H18O8

>  <MolWeight> (98)
326.29862

>  <Item Name> (98)
Bilobalide

>  <Catalog Number> (98)
S2276

>  <Synonyms> (98)
N/A

>  <Target> (98)
Others

>  <Form> (98)
Free Base

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

>  <CAS Number> (98)
33570-04-6

$$$$
Caffeic acid.cdx
csChFnd80/10101813202D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (99)
732

>  <Formula> (99)
C9H8O4

>  <MolWeight> (99)
180.15742

>  <Item Name> (99)
Caffeic acid

>  <Catalog Number> (99)
S2277

>  <Synonyms> (99)
N/A

>  <Target> (99)
Others

>  <Form> (99)
Free Base

>  <URL> (99)
http://www.selleckchem.com/products/Caffeic-acid.html

>  <CAS Number> (99)
331-39-5

$$$$
Chlorogenic acid.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (100)
733

>  <Formula> (100)
C16H18O9

>  <MolWeight> (100)
354.30872

>  <Item Name> (100)
Chlorogenic acid

>  <Catalog Number> (100)
S2280

>  <Synonyms> (100)
N/A

>  <Target> (100)
Others

>  <Form> (100)
Free Base

>  <URL> (100)
http://www.selleckchem.com/products/Chlorogenic-acid.html

>  <CAS Number> (100)
327-97-9

$$$$
Diosmin.cdx
csChFnd80/10101813202D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
742

>  <Formula> (101)
C28H32O15

>  <MolWeight> (101)
608.54468

>  <Item Name> (101)
Diosmin

>  <Catalog Number> (101)
S2292

>  <Synonyms> (101)
N/A

>  <Target> (101)
Others

>  <Form> (101)
Free Base

>  <URL> (101)
http://www.selleckchem.com/products/Diosmin.html

>  <CAS Number> (101)
520-27-4

$$$$
Emodin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (102)
745

>  <Formula> (102)
C15H10O5

>  <MolWeight> (102)
270.2369

>  <Item Name> (102)
Emodin

>  <Catalog Number> (102)
S2295

>  <Synonyms> (102)
N/A

>  <Target> (102)
Dehydrogenase

>  <Form> (102)
Free Base

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

>  <CAS Number> (102)
518-82-1

$$$$
Fisetin.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (103)
749

>  <Formula> (103)
C15H10O6

>  <MolWeight> (103)
286.2363

>  <Item Name> (103)
Fisetin (Fustel)

>  <Catalog Number> (103)
S2298

>  <Synonyms> (103)
Fustel, Viset

>  <Target> (103)
Sirtuin

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
528-48-3

$$$$
Glycyrrhizic acid.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (104)
752

>  <Formula> (104)
C42H62O16

>  <MolWeight> (104)
822.93208

>  <Item Name> (104)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Catalog Number> (104)
S2302

>  <Synonyms> (104)
N/A

>  <Target> (104)
Others

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

>  <CAS Number> (104)
1405-86-3

$$$$
Hesperidin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (105)
758

>  <Formula> (105)
C28H34O15

>  <MolWeight> (105)
610.56056

>  <Item Name> (105)
Hesperidin

>  <Catalog Number> (105)
S2309

>  <Synonyms> (105)
N/A

>  <Target> (105)
NULL

>  <Form> (105)
Free Base

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

>  <CAS Number> (105)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (106)
759

>  <Formula> (106)
C18H18O2

>  <MolWeight> (106)
266.33432

>  <Item Name> (106)
Honokiol

>  <Catalog Number> (106)
S2310

>  <Synonyms> (106)
N/A

>  <Target> (106)
Akt, MEK

>  <Form> (106)
Free Base

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

>  <CAS Number> (106)
35354-74-6

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (107)
760

>  <Formula> (107)
C24H40O4

>  <MolWeight> (107)
392.572

>  <Item Name> (107)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (107)
S2311

>  <Synonyms> (107)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (107)
Others

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/Hyodeoxycholic-acid(HDCA).html

>  <CAS Number> (107)
83-49-8

$$$$
Icariin.cdx
csChFnd80/10101813202D

 48 52  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (108)
761

>  <Formula> (108)
C33H40O15

>  <MolWeight> (108)
676.6617

>  <Item Name> (108)
Icariin

>  <Catalog Number> (108)
S2312

>  <Synonyms> (108)
N/A

>  <Target> (108)
PDE

>  <Form> (108)
Free Base

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

>  <CAS Number> (108)
489-32-7

$$$$
Indole-3-carbinol.cdx
csChFnd80/10101813202D

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    5.5398    4.2218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (109)
762

>  <Formula> (109)
C9H9NO

>  <MolWeight> (109)
147.17386

>  <Item Name> (109)
Indole-3-carbinol

>  <Catalog Number> (109)
S2313

>  <Synonyms> (109)
N/A

>  <Target> (109)
NF-¦ÊB

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (109)
700-06-1

$$$$
Kinetin.cdx
csChFnd80/10101813202D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    7.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    7.1180    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  2  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (110)
764

>  <Formula> (110)
C10H9N5O

>  <MolWeight> (110)
215.21136

>  <Item Name> (110)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (110)
S2316

>  <Synonyms> (110)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (110)
Others

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (110)
525-79-1

$$$$
Luteolin.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (111)
767

>  <Formula> (111)
C15H10O6

>  <MolWeight> (111)
286.2363

>  <Item Name> (111)
Luteolin

>  <Catalog Number> (111)
S2320

>  <Synonyms> (111)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (111)
PDE

>  <Form> (111)
Free Base

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

>  <CAS Number> (111)
491-70-3 

$$$$
Oleanolic Acid.cdx
csChFnd80/10101813202D

 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
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    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  1  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  0  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  0  0  0  0  0  0  0  0  0  0
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  3 23  1  0  0  0  0
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  2 30  1  1  0  0  0
  5 31  1  1  0  0  0
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 18 33  1  1  0  0  0
  4 34  1  6  0  0  0
 10 35  1  6  0  0  0
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M  END
>  <Mol_ID> (112)
778

>  <Formula> (112)
C30H48O3

>  <MolWeight> (112)
456.70032

>  <Item Name> (112)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (112)
S2334

>  <Synonyms> (112)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (112)
Antifection

>  <Form> (112)
Free Base

>  <URL> (112)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (112)
508-02-1

$$$$
Oxymatrine.cdx
csChFnd80/10101813202D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 13  6  1  0  0  0  0
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  5 20  1  6  0  0  0
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  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (113)
782

>  <Formula> (113)
C15H24N2O2

>  <MolWeight> (113)
264.36326

>  <Item Name> (113)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (113)
S2338

>  <Synonyms> (113)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (113)
Others

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (113)
16837-52-8 

$$$$
Parthenolide.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (114)
784

>  <Formula> (114)
C15H20O3

>  <MolWeight> (114)
248.3175

>  <Item Name> (114)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (114)
S2341

>  <Synonyms> (114)
N/A 

>  <Target> (114)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (114)
Free Base

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

>  <CAS Number> (114)
20554-84-1

$$$$
Puerarin.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.6700    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3892    3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890    3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4697    4.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7504    6.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3506    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702    4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    2.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535    5.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8646    4.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5058    2.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754    4.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    4.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950    3.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    2.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9056    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6347    1.2166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    1.2166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7048    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    3.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6347    3.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0999    2.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9518    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    4.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0492    6.0233    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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  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 10  1  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  6  0  0  0
 17 21  1  0  0  0  0
 20 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 20  1  0  0  0  0
 24 27  1  1  0  0  0
 22 28  1  1  0  0  0
 25 29  1  6  0  0  0
 23 30  1  6  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (115)
788

>  <Formula> (115)
C21H20O10

>  <MolWeight> (115)
432.3775

>  <Item Name> (115)
Puerarin (Kakonein)

>  <Catalog Number> (115)
S2346

>  <Synonyms> (115)
NPI-31G 

>  <Target> (115)
5-HT Receptor

>  <Form> (115)
Free Base

>  <URL> (115)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (115)
3681-99-0

$$$$
Quercetin dihydrate.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (116)
789

>  <Formula> (116)
C15H14O9

>  <MolWeight> (116)
338.26626

>  <Item Name> (116)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (116)
S2347

>  <Synonyms> (116)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (116)
Others

>  <Form> (116)
Dihydrate

>  <URL> (116)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (116)
6151-25-3

$$$$
Isoliquiritigenin.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (117)
799

>  <Formula> (117)
C15H12O4

>  <MolWeight> (117)
256.25338

>  <Item Name> (117)
Isoliquiritigenin

>  <Catalog Number> (117)
S2404

>  <Synonyms> (117)
N/A

>  <Target> (117)
Others

>  <Form> (117)
Free Base

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

>  <CAS Number> (117)
961-29-5

$$$$
Curcumol.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (118)
802

>  <Formula> (118)
C15H24O2

>  <MolWeight> (118)
236.34986

>  <Item Name> (118)
Curcumol

>  <Catalog Number> (118)
S2407

>  <Synonyms> (118)
N/A

>  <Target> (118)
JAK

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
4871-97-0

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/10101813202D

 24 27  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  1  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  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    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
    3.6331    3.4951    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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  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  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  2  0  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
M  END
>  <Mol_ID> (119)
813

>  <Formula> (119)
C19H28O2

>  <MolWeight> (119)
288.42442

>  <Item Name> (119)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (119)
S2604

>  <Synonyms> (119)
DHEA

>  <Target> (119)
Androgen Receptor

>  <Form> (119)
Free Base

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

>  <CAS Number> (119)
53-43-0

$$$$
TAK-901.cdx
csChFnd80/10101813202D

 36 40  0  0  0  0  0  0  0  0999 V2000
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FXR

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629664-81-9

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$$$$
untitled.cdx
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S6005

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p38 MAPK 

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Free Base

>  <URL> (124)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (124)
745833-23-2

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Ketanserin.cdx
csChFnd80/10101813202D

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892

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395.4267832

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Ketanserin (Vulketan Gel)

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S2232

>  <Synonyms> (125)
R 41468, Vulketan Gel

>  <Target> (125)
5-HT Receptor

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/Ketanserin-Vulketan-Gel.html

>  <CAS Number> (125)
74050-98-9

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/10101813202D

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C20H16ClN5O3

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Telatinib (BAY 57-9352)

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S2231

>  <Synonyms> (126)
N/A 

>  <Target> (126)
VEGFR, PDGFR, c-Kit

>  <Form> (126)
Free Base

>  <URL> (126)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

>  <CAS Number> (126)
332012-40-5

$$$$
AZD5438.cdx
csChFnd80/10101813202D

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AZD5438

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S2621

>  <Synonyms> (127)
N/A 

>  <Target> (127)
CDK

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/AZD5438.html

>  <CAS Number> (127)
602306-29-6 

$$$$
CK-1827452.cdx
csChFnd80/10101813202D

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CK-1827452, CK1827452 

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ATPase

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Free Base

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http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

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873697-71-3

$$$$
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>  <Formula> (129)
C21H22N6O3

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S2624

>  <Synonyms> (129)
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>  <Target> (129)
mTOR

>  <Form> (129)
Free Base

>  <URL> (129)
http://www.selleckchem.com/products/OSI027.html

>  <CAS Number> (129)
936890-98-1

$$$$
WP1130.cdx
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DUB, Bcr-Abl

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Free Base

>  <URL> (130)
http://www.selleckchem.com/products/WP1130.html

>  <CAS Number> (130)
856243-80-6

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>  <Formula> (131)
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N/A 

>  <Target> (131)
PI3K

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Free Base

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944396-07-0

$$$$
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908115-27-5

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Opioid Receptor

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850173-95-4

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897016-82-9

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Aurora Kinase

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Free Base

>  <URL> (147)
http://www.selleckchem.com/products/gsk1070916.html

>  <CAS Number> (147)
942918-07-2

$$$$
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S2722

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N/A

>  <Target> (148)
Opioid Receptor

>  <Form> (148)
Hydrochloride

>  <URL> (148)
http://www.selleckchem.com/products/jtc-801.html

>  <CAS Number> (148)
244218-51-7

$$$$
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csChFnd80/10101813202D

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N/A

>  <Target> (149)
PI3K, mTOR

>  <Form> (149)
Free Base

>  <URL> (149)
http://www.selleckchem.com/products/ch5132799.html

>  <CAS Number> (149)
1007207-67-1

$$$$
GDC 0980.cdx
csChFnd80/10101813202D

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mTOR, PI3K

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>  <URL> (150)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

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1032754-93-0

$$$$
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csChFnd80/10101813202D

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Hydroxylase

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

>  <CAS Number> (151)
170151-24-3

$$$$
SCH 900776.cdx
csChFnd80/10101813202D

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>  <Target> (152)
CHK

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Free Base

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http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (152)
891494-63-6

$$$$
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csChFnd80/10101813202D

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Flavopiridol (Alvocidib) HCl

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S2679

>  <Synonyms> (153)
N/A

>  <Target> (153)
CDK

>  <Form> (153)
Hydrochloride

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

>  <CAS Number> (153)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/10101813202D

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>  <Target> (154)
p38 MAPK

>  <Form> (154)
Free Base

>  <URL> (154)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (154)
586379-66-0

$$$$
INK 128.cdx
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mTOR 

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Free Base

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>  <CAS Number> (155)
1224844-38-5

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Aurora Kinase

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http://www.selleckchem.com/products/mk-5108-vx-689.html

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1010085-13-8

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Procaspase activating compound 1

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Caspase

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Free Base

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http://www.selleckchem.com/products/pac-1.html

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315183-21-2

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mTOR, PI3K, Akt

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http://www.selleckchem.com/products/pf-04691502.html

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1013101-36-4 

$$$$
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M  END
>  <Mol_ID> (160)
1095

>  <Formula> (160)
C23H28O11

>  <MolWeight> (160)
480.46182

>  <Item Name> (160)
Paeoniflorin

>  <Catalog Number> (160)
S2410

>  <Synonyms> (160)
N/A

>  <Target> (160)
Others

>  <Form> (160)
Free Base

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

>  <CAS Number> (160)
23180-57-6 

$$$$

csChFnd80/10101813202D

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M  END
>  <Mol_ID> (161)
1120

>  <Formula> (161)
C58H66O15S2

>  <MolWeight> (161)
1067.26564

>  <Item Name> (161)
TAK-875

>  <Catalog Number> (161)
S2637

>  <Synonyms> (161)
N/A

>  <Target> (161)
GPR 

>  <Form> (161)
Hydrate

>  <URL> (161)
http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (161)
1374598-80-7

$$$$
Anacetrapib.cdx
csChFnd80/10101813202D

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EGFR

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Mesylate

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1050500-29-2

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c-Met, FGFR, PDGFR

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95809-78-2

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Adrenergic Receptor

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csChFnd80/10101813202D

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VEGFR

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194413-58-6

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Equol.cdx
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Estrogen/progestogen Receptor

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Free Base

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531-95-3

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IMD0354.cdx
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IKK

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978-62-1

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E7050.cdx
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E7050

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c-Met, VEGFR

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928037-13-2

$$$$
Besifloxacin HCl.cdx
csChFnd80/10101813202D

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C19H22Cl2FN3O3

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Besifloxacin HCl (Besivance)

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S3055

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N/A

>  <Target> (192)
Others

>  <Form> (192)
Hydrochloride

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

>  <CAS Number> (192)
405165-61-9

$$$$
Forskolin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (193)
1312

>  <Formula> (193)
C22H34O7

>  <MolWeight> (193)
410.50116

>  <Item Name> (193)
Forskolin

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S2449

>  <Synonyms> (193)
Coleonol

>  <Target> (193)
cAMP

>  <Form> (193)
Free Base

>  <URL> (193)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (193)
66575-29-9

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (194)
1330

>  <Formula> (194)
C9H10O3

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Apocynin (Acetovanillone)

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S2425

>  <Synonyms> (194)
N/A

>  <Target> (194)
NADPH oxidase

>  <Form> (194)
Free Base

>  <URL> (194)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

>  <CAS Number> (194)
498-02-2

$$$$
U-104.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (195)
1335

>  <Formula> (195)
C13H12FN3O3S

>  <MolWeight> (195)
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>  <Item Name> (195)
U-104

>  <Catalog Number> (195)
S2866

>  <Synonyms> (195)
N/A

>  <Target> (195)
Carbonic Anhydrase

>  <Form> (195)
Free Base

>  <URL> (195)
http://www.selleckchem.com/products/u-104.html

>  <CAS Number> (195)
178606-66-1

$$$$
L-NAME HCl.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (196)
1343

>  <Formula> (196)
C7H16ClN5O4

>  <MolWeight> (196)
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L-NAME HCl

>  <Catalog Number> (196)
S2877

>  <Synonyms> (196)
N/A

>  <Target> (196)
NOS

>  <Form> (196)
Hydrochloride

>  <URL> (196)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (196)
51298-62-5

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101813202D

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Alogliptin

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850649-61-5

$$$$
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Betulinic acid

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S3603

>  <Target> (198)
N/A

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Free Base

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http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (198)
472-15-1

$$$$
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717907-75-0

$$$$
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2226-96-2

$$$$
SB 271046.cdx
csChFnd80/10101813202D

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5-HT Receptor

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209481-20-9

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607742-69-8

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COX

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220991-20-8

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PF477736.cdx
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Chk

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952021-60-2

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Dapivirine.cdx
csChFnd80/10101813202D

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Reverse Transcriptase

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

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244767-67-7

$$$$
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p38 MAPK

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Free Base

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http://www.selleckchem.com/products/tak-715.html

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303162-79-0

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csChFnd80/10101813202D

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S2120

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>  <Target> (207)
Antifection

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Hydrochloride

>  <URL> (207)
http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (207)
131707-23-8

$$$$
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PI3K

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Free Base

>  <URL> (208)
http://www.selleckchem.com/products/gsk2636771.html

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1372540-25-4

$$$$

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Raf

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1188910-76-0

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csChFnd80/10101813202D

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>  <Synonyms> (210)
N/A

>  <Target> (210)
5-HT Receptor

>  <Form> (210)
Maleate

>  <URL> (210)
http://www.selleckchem.com/products/prx-08066.html

>  <CAS Number> (210)
866206-55-5

$$$$
AZD5363.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (211)
1541

>  <Formula> (211)
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AZD5363

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S8019

>  <Synonyms> (211)
N/A

>  <Target> (211)
Akt

>  <Form> (211)
Free Base

>  <URL> (211)
http://www.selleckchem.com/products/azd5363.html

>  <CAS Number> (211)
1143532-39-1

$$$$
Plerixafor.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (212)
1544

>  <Formula> (212)
C28H54N8

>  <MolWeight> (212)
502.78196

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Plerixafor

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S8030

>  <Synonyms> (212)
N/A

>  <Target> (212)
CXCR

>  <Form> (212)
Free Base

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

>  <CAS Number> (212)
110078-46-1

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (213)
1561

>  <Formula> (213)
FNa2O3P

>  <MolWeight> (213)
143.9499042

>  <Item Name> (213)
Sodium Monofluorophosphate

>  <Catalog Number> (213)
S4013

>  <Synonyms> (213)
Sodium Fluorophosphate

>  <Target> (213)
Others
phosphatase

>  <Form> (213)
Disodium salt

>  <URL> (213)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

>  <CAS Number> (213)
10163-15-2

$$$$
SN-38.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (214)
1581

>  <Formula> (214)
C22H20N2O5

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392.4046

>  <Item Name> (214)
SN-38

>  <Catalog Number> (214)
S4908

>  <Synonyms> (214)
N/A

>  <Target> (214)
Topoisomerase

>  <Form> (214)
Free Base

>  <URL> (214)
http://www.selleckchem.com/products/sn-38.html

>  <CAS Number> (214)
86639-52-3

$$$$
EPZ-5676.cdx
csChFnd80/10101813202D

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M  CFW  24 BOND_GSTEREO 5
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M  END
>  <Mol_ID> (215)
1590

>  <Formula> (215)
C30H42N8O3

>  <MolWeight> (215)
562.70628

>  <Item Name> (215)
Pinometostat (EPZ5676)

>  <Catalog Number> (215)
S7062

>  <Synonyms> (215)
N/A

>  <Target> (215)
Histone Methyltransferase

>  <Form> (215)
Free Base

>  <URL> (215)
http://www.selleckchem.com/products/epz-5676.html

>  <CAS Number> (215)
1380288-87-8

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (216)
1593

>  <Formula> (216)
C25H32N4O7S

>  <MolWeight> (216)
532.60918

>  <Item Name> (216)
Oprozomib (ONX 0912)

>  <Catalog Number> (216)
S7049

>  <Synonyms> (216)
N/A

>  <Target> (216)
Proteasome

>  <Form> (216)
Free Base

>  <URL> (216)
http://www.selleckchem.com/products/oprozomib-onx-0912.html

>  <CAS Number> (216)
935888-69-0

$$$$
VX661.cdx
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>  <Mol_ID> (217)
1594

>  <Formula> (217)
C26H27F3N2O6

>  <MolWeight> (217)
520.4975896

>  <Item Name> (217)
VX-661

>  <Catalog Number> (217)
S7059

>  <Synonyms> (217)
N/A

>  <Target> (217)
CFTR

>  <Form> (217)
Free Base

>  <URL> (217)
http://www.selleckchem.com/products/vx-661.html

>  <CAS Number> (217)
1152311-62-0

$$$$
Tariquidar.cdx
csChFnd80/10101813202D

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1619

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C38H38N4O6

>  <MolWeight> (218)
646.73152

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Tariquidar

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S8028

>  <Synonyms> (218)
N/A

>  <Target> (218)
P-gp

>  <Form> (218)
Free Base

>  <URL> (218)
http://www.selleckchem.com/products/tariquidar.html

>  <CAS Number> (218)
206873-63-4

$$$$
Pirarubicin.cdx
csChFnd80/10101813202D

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1635

>  <Formula> (219)
C32H37NO12

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627.63568

>  <Item Name> (219)
Pirarubicin

>  <Catalog Number> (219)
S1393

>  <Synonyms> (219)
N/A

>  <Target> (219)
Topoisomerase

>  <Form> (219)
Free Base

>  <URL> (219)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (219)
72496-41-4

$$$$
Mildronate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (220)
1655

>  <Formula> (220)
C6H15N2O2+

>  <MolWeight> (220)
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Mildronate

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S4130

>  <Synonyms> (220)
N/A

>  <Target> (220)
Hydroxylase

>  <Form> (220)
Free Base

>  <URL> (220)
https://www.selleckchem.com/products/mildronate.html

>  <CAS Number> (220)
76144-81-5

$$$$
AMG-517.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (221)
1667

>  <Formula> (221)
C20H13F3N4O2S

>  <MolWeight> (221)
430.4030296

>  <Item Name> (221)
AMG-517

>  <Catalog Number> (221)
S7115

>  <Synonyms> (221)
N/A

>  <Target> (221)
TRPV

>  <Form> (221)
Free Base

>  <URL> (221)
https://www.selleckchem.com/products/amg-517.html

>  <CAS Number> (221)
659730-32-2

$$$$
GDC-0349.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (226)
1689

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C21H21Cl2NO5

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438.30114

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P276-00

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S8058

>  <Synonyms> (226)
N/A

>  <Target> (226)
CDK

>  <Form> (226)
HCl

>  <URL> (226)
https://www.selleckchem.com/products/p276-00.html

>  <CAS Number> (226)
920113-03-7

$$$$
isovaleramide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (227)
1736

>  <Formula> (227)
C5H11NO

>  <MolWeight> (227)
101.14694

>  <Item Name> (227)
Isovaleramide

>  <Catalog Number> (227)
S4116

>  <Synonyms> (227)
N/A

>  <Target> (227)
Dehydrogenase

>  <Form> (227)
Free Base

>  <URL> (227)
http://www.selleckchem.com/products/isovaleramide.html

>  <CAS Number> (227)
541-46-8

$$$$
Sasapyrine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (228)
1743

>  <Formula> (228)
C14H10O5

>  <MolWeight> (228)
258.2262

>  <Item Name> (228)
Sasapyrine

>  <Catalog Number> (228)
S4188

>  <Synonyms> (228)
N/A

>  <Target> (228)
COX

>  <Form> (228)
Free Base

>  <URL> (228)
http://www.selleckchem.com/products/sasapyrine.html

>  <CAS Number> (228)
552-94-3

$$$$
GZD824.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (229)
1754

>  <Formula> (229)
C31H35F3N6O7S2

>  <MolWeight> (229)
724.7708096

>  <Item Name> (229)
GZD824 Dimesylate 

>  <Catalog Number> (229)
S7194

>  <Synonyms> (229)
N/A

>  <Target> (229)
Bcr-Abl

>  <Form> (229)
Mesylate

>  <URL> (229)
http://www.selleckchem.com/products/gzd824.html

>  <CAS Number> (229)
1421783-64-3

$$$$
Bergapten.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (230)
1769

>  <Formula> (230)
C12H8O4

>  <MolWeight> (230)
216.18952

>  <Item Name> (230)
Bergapten

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S4239

>  <Synonyms> (230)
N/A

>  <Target> (230)
DNA/RNA Synthesis

>  <Form> (230)
Free Base

>  <URL> (230)
http://www.selleckchem.com/products/bergapten.html

>  <CAS Number> (230)
484-20-8

$$$$
NLG-919.cdx
csChFnd80/10101813202D

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IDO

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1402836-58-1

$$$$
sucralose.cdx
csChFnd80/10101813202D

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>  <Formula> (232)
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>  <Target> (232)
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>  <Form> (232)
Free Base

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

>  <CAS Number> (232)
56038-13-2

$$$$
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csChFnd80/10101813202D

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>  <Target> (233)
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>  <Form> (233)
Disodium salt

>  <URL> (233)
http://www.selleckchem.com/products/clodronate-disodium.html

>  <CAS Number> (233)
22560-50-5, 10596-23-3(free base)

$$$$
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csChFnd80/10101813202D

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IAP

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873652-48-3

$$$$
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csChFnd80/10101813202D

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E1 Activating

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>  <CAS Number> (235)
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$$$$
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csChFnd80/10101813202D

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

>  <CAS Number> (236)
149-32-6

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PaTrin-2

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DNA Methyltransferase

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Free Base

>  <URL> (237)
http://www.selleckchem.com/products/lomeguatrib.html

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192441-08-0

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Histone Methyltransferase

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Free Base

>  <URL> (238)
http://www.selleckchem.com/products/epz005687.html

>  <CAS Number> (238)
1396772-26-1

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Androgen Receptor

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>  <URL> (239)
http://www.selleckchem.com/products/azd3514.html

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1240299-33-5

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VX-745

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S1458

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N/A

>  <Target> (245)
p38 MAPK 

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Free Base

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http://www.selleckchem.com/products/VX-745.html

>  <CAS Number> (245)
209410-46-8

$$$$
AZD 1480.cdx
csChFnd80/10101813202D

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C14H14ClFN8

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AZD1480

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S2162

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N/A

>  <Target> (246)
JAK

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Free Base

>  <URL> (246)
http://www.selleckchem.com/products/AZD1480.html

>  <CAS Number> (246)
935666-88-9, 1260222-79-4 (TFA)

$$$$
quinacrine dihydrochloride.cdx
csChFnd80/10101813202D

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1901

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C23H32Cl3N3O

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>  <Item Name> (247)
Quinacrine 2HCl

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S4255

>  <Synonyms> (247)
N/A

>  <Target> (247)
Phospholipase (e.g. PLA)

>  <Form> (247)
Dihydrochloride

>  <URL> (247)
http://www.selleckchem.com/products/quinacrine-2hcl.html

>  <CAS Number> (247)
69-05-6

$$$$
TIC10.cdx
csChFnd80/10101813202D

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1907

>  <Formula> (248)
C24H26N4O

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>  <Item Name> (248)
TIC10 analogue

>  <Catalog Number> (248)
S7127

>  <Synonyms> (248)
TRAIL-inducing Compound 10

>  <Target> (248)
Akt

>  <Form> (248)
Free Base

>  <URL> (248)
http://www.selleckchem.com/products/tic10.html

>  <CAS Number> (248)
41276-02-2

$$$$
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1908

>  <Formula> (249)
C22H22ClN5O2

>  <MolWeight> (249)
423.89538

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I-BET-762

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S7189

>  <Synonyms> (249)
GSK525762, GSK525762A

>  <Target> (249)
Epigenetic Reader Domain

>  <Form> (249)
Free Base

>  <URL> (249)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (249)
1260907-17-2

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (250)
1909

>  <Formula> (250)
C16H10BrN3O2

>  <MolWeight> (250)
356.1735

>  <Item Name> (250)
BIO

>  <Catalog Number> (250)
S7198

>  <Synonyms> (250)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (250)
GSK-3

>  <Form> (250)
Free Base

>  <URL> (250)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (250)
667463-62-9

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (251)
1917

>  <Formula> (251)
C15H14O3

>  <MolWeight> (251)
242.26986

>  <Item Name> (251)
Beta-Lapachone

>  <Catalog Number> (251)
S7261

>  <Synonyms> (251)
¦Â-Lapachone, ARQ-501

>  <Target> (251)
Topoisomerase

>  <Form> (251)
Free Base

>  <URL> (251)
http://www.selleckchem.com/products/beta-lapachone.html

>  <CAS Number> (251)
4707-32-8

$$$$
AZD1981.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (252)
1926

>  <Formula> (252)
C19H17ClN2O3S

>  <MolWeight> (252)
388.86788

>  <Item Name> (252)
AZD1981

>  <Catalog Number> (252)
S7263

>  <Synonyms> (252)
N/A

>  <Target> (252)
GPR

>  <Form> (252)
Free Base

>  <URL> (252)
http://www.selleckchem.com/products/azd1981.html

>  <CAS Number> (252)
802904-66-1

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10101813202D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (253)
1936

>  <Formula> (253)
C24H27Cl2N5O

>  <MolWeight> (253)
472.41008

>  <Item Name> (253)
Dorsomorphin (Compound C) 2HCl

>  <Catalog Number> (253)
S7306

>  <Synonyms> (253)
BML-275,Compound C

>  <Target> (253)
AMPK

>  <Form> (253)
Dihydrochloride

>  <URL> (253)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (253)
1219168-18-9

$$$$
oxethazaine.cdx
csChFnd80/10101813202D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (254)
2018

>  <Formula> (254)
C28H41N3O3

>  <MolWeight> (254)
467.64344

>  <Item Name> (254)
oxethazaine

>  <Catalog Number> (254)
S4343 

>  <Synonyms> (254)
Oxethacaine

>  <Target> (254)
Others

>  <Form> (254)
Free Base

>  <URL> (254)
http://www.selleckchem.com/products/oxethazaine.html

>  <CAS Number> (254)
126-27-2

$$$$
Efaproxiral sodium.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (255)
2072

>  <Formula> (255)
C20H22NNaO4

>  <MolWeight> (255)
363.38275

>  <Item Name> (255)
Efaproxiral sodium

>  <Catalog Number> (255)
S4263 

>  <Synonyms> (255)
N/A

>  <Target> (255)
Others

>  <Form> (255)
Sodium salt

>  <URL> (255)
http://www.selleckchem.com/products/efaproxiral-sodium.html

>  <CAS Number> (255)
170787-99-2

$$$$
Nicaraven.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (256)
2076

>  <Formula> (256)
C15H16N4O2

>  <MolWeight> (256)
284.31314

>  <Item Name> (256)
Nicaraven

>  <Catalog Number> (256)
S4265 

>  <Synonyms> (256)
N/A

>  <Target> (256)
Others

>  <Form> (256)
Free Base

>  <URL> (256)
http://www.selleckchem.com/products/nicaraven.html

>  <CAS Number> (256)
79455-30-4

$$$$
BMS-833923 (XL139).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (257)
2080

>  <Formula> (257)
C30H27N5O

>  <MolWeight> (257)
473.56828

>  <Item Name> (257)
BMS-833923 (XL139)

>  <Catalog Number> (257)
S7138

>  <Synonyms> (257)
XL139

>  <Target> (257)
Hedgehog/Smoothened

>  <Form> (257)
Free Base

>  <URL> (257)
http://www.selleckchem.com/products/bms-833923.html

>  <CAS Number> (257)
1059734-66-5

$$$$
IOWH 032.cdx
csChFnd80/10101813202D

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BTK

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1202757-89-8

$$$$
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HDAC

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1215493-56-3

$$$$
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CAPE, Phenylethyl Caffeate

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NF-¦ÊB

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http://www.selleckchem.com/products/caffeic-acid-phenethyl-ester.html

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104594-70-9

$$$$
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$$$$
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236392-56-6

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LGX818.cdx
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Raf

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1269440-17-6

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http://www.selleckchem.com/products/vgx-1027.html

>  <CAS Number> (271)
6501-72-0

$$$$
PU-H71.cdx
csChFnd80/10101813202D

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S8039

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>  <Target> (272)
HSP 

>  <Form> (272)
Free Base

>  <URL> (272)
http://www.selleckchem.com/products/pu-h71.html

>  <CAS Number> (272)
873436-91-0

$$$$
Almorexant HCl.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (273)
2201

>  <Formula> (273)
C29H32ClF3N2O3

>  <MolWeight> (273)
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>  <Item Name> (273)
Almorexant HCl

>  <Catalog Number> (273)
S2160

>  <Synonyms> (273)
N/A

>  <Target> (273)
OX Receptor

>  <Form> (273)
Hydrochloride

>  <URL> (273)
http://www.selleckchem.com/products/almorexant-hcl.html

>  <CAS Number> (273)
913358-93-7

$$$$
GSK923295.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (274)
2203

>  <Formula> (274)
C32H38ClN5O4

>  <MolWeight> (274)
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>  <Item Name> (274)
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>  <Catalog Number> (274)
S7090

>  <Synonyms> (274)
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>  <Target> (274)
Kinesin

>  <Form> (274)
Free Base

>  <URL> (274)
http://www.selleckchem.com/products/gsk923295.html

>  <CAS Number> (274)
1088965-37-0

$$$$
Darapladib.cdx
csChFnd80/10101813202D

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356057-34-6

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Pim

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1204144-28-4

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Transferase

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Free Base

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1109276-89-2

$$$$
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113712-98-4

$$$$
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S1089

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BAY 869766

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MEK

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Free Base

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http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

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923032-37-5

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PF-03758309

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PAK

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Free Base

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http://www.selleckchem.com/products/pf-3758309.html

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898044-15-0

$$$$
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2252

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Pritelivir (BAY 57-1293)

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S7546

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N/A

>  <Target> (281)
DNA/RNA Synthesis

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/bay-57-1293.html

>  <CAS Number> (281)
348086-71-5

$$$$
BMS863233.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (282)
2253

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C14H13Cl2N3O2

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XL413 (BMS-863233)

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S7547

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N/A

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CDK

>  <Form> (282)
Free Base

>  <URL> (282)
http://www.selleckchem.com/products/xl413-bms-863233.html

>  <CAS Number> (282)
1169562-71-3

$$$$
Bambuterol HCl.cdx
csChFnd80/10101813202D

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2274

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C18H30ClN3O5

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Bambuterol HCl

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S4277

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N/A

>  <Target> (283)
Adrenergic Receptor

>  <Form> (283)
Hydrochloride

>  <URL> (283)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (283)
81732-46-9

$$$$
GDC0994.cdx
csChFnd80/10101813202D

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>  <Target> (284)
ERK

>  <Form> (284)
Free Base

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http://www.selleckchem.com/products/gdc-0994.html

>  <CAS Number> (284)
1453848-26-4

$$$$
Zotarolimus.cdx
csChFnd80/10101813202D

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Zotarolimus (ABT-578)

>  <Catalog Number> (285)
S7091

>  <Synonyms> (285)
N/A

>  <Target> (285)
mTOR

>  <Form> (285)
Free Base

>  <URL> (285)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

>  <CAS Number> (285)
221877-54-9

$$$$
N6022.cdx
csChFnd80/10101813202D

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2286

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C24H22N4O3

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>  <Synonyms> (286)
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>  <Target> (286)
Others

>  <Form> (286)
Free Base

>  <URL> (286)
http://www.selleckchem.com/products/n6022.html

>  <CAS Number> (286)
1208315-24-5

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/10101813202D

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>  <Formula> (287)
C20H18FN5O2

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HSP990 (NVP-HSP990)

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S7097

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N/A

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HSP (e.g. HSP90)

>  <Form> (287)
Free Base

>  <URL> (287)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

>  <CAS Number> (287)
934343-74-5

$$$$
NMS-P937.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (288)
2322

>  <Formula> (288)
C24H27F3N8O3

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>  <Item Name> (288)
NMS-P937 (NMS1286937)

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S7255

>  <Synonyms> (288)
N/A

>  <Target> (288)
PLK

>  <Form> (288)
Free Base

>  <URL> (288)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

>  <CAS Number> (288)
1034616-18-6

$$$$
ARQ 621.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (289)
2323

>  <Formula> (289)
C28H24Cl2FN5O2

>  <MolWeight> (289)
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>  <Item Name> (289)
ARQ 621

>  <Catalog Number> (289)
S7355

>  <Synonyms> (289)
N/A

>  <Target> (289)
Kinesin

>  <Form> (289)
Free Base

>  <URL> (289)
http://www.selleckchem.com/products/arq-621.html

>  <CAS Number> (289)
1095253-39-6

$$$$
LCL161.cdx
csChFnd80/10101813202D

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IAP

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http://www.selleckchem.com/products/lcl161.html

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1005342-46-0

$$$$
Tasquinimod .cdx
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HDAC

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Free Base

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

>  <CAS Number> (291)
254964-60-8

$$$$
MG 101.cdx
csChFnd80/10101813202D

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Calpain inhibitor-1

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Cysteine Protease

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Oxalate

>  <URL> (292)
http://www.selleckchem.com/products/mg-101-alln.html

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110044-82-1

$$$$
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FGFR

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1254473-64-7

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>  <URL> (294)
http://www.selleckchem.com/products/ew-7197.html

>  <CAS Number> (294)
1352608-82-2

$$$$
Kartogenin.cdx
csChFnd80/10101813202D

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C20H15NO3

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Kartogenin

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S7658

>  <Synonyms> (295)
N/A

>  <Target> (295)
TGF-beta/Smad

>  <Form> (295)
Free Base

>  <URL> (295)
http://www.selleckchem.com/products/kartogenin.html

>  <CAS Number> (295)
4727-31-5

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10101813202D

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C25H31N7O6

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>  <Item Name> (296)
ENMD-2076 L-(+)-Tartaric acid

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S2018

>  <Synonyms> (296)
N/A

>  <Target> (296)
FLT3

>  <Form> (296)
Free Base

>  <URL> (296)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

>  <CAS Number> (296)
1291074-87-7

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (297)
2364

>  <Formula> (297)
C14H16ClF2N3S

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>  <Item Name> (297)
(R)-Nepicastat HCl

>  <Catalog Number> (297)
S4926

>  <Synonyms> (297)
RS-25560-198 HCl

>  <Target> (297)
Hydroxylase

>  <Form> (297)
Hydrochloride

>  <URL> (297)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

>  <CAS Number> (297)
195881-94-8

$$$$
VS-5584 (SB2343).cdx
csChFnd80/10101813202D

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2365

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>  <MolWeight> (298)
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S7016

>  <Synonyms> (298)
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>  <Target> (298)
PI3K

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Free Base

>  <URL> (298)
http://www.selleckchem.com/products/vs-5584-sb2343.html

>  <CAS Number> (298)
1246560-33-7

$$$$
Disopyramide Phosphate.cdx
csChFnd80/10101813202D

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23142-01-0

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1392136-43-4

$$$$
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csChFnd80/10101813202D

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685898-44-6

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csChFnd80/10101813202D

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Mdm2

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Free Base

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http://www.selleckchem.com/products/mi-773-sar405838.html

>  <CAS Number> (316)
1303607-60-4

$$$$
Combretastatin A4.cdx
csChFnd80/10101813202D

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2475

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C18H20O5

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316.3484

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Combretastatin A4

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S7783

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>  <Target> (317)
Microtubule Associated

>  <Form> (317)
Free Base

>  <URL> (317)
http://www.selleckchem.com/products/combretastatin-a4.html

>  <CAS Number> (317)
117048-59-6

$$$$
SRT2104 (GSK2245840).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (318)
2476

>  <Formula> (318)
C26H24N6O2S2

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SRT2104 (GSK2245840)

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>  <Synonyms> (318)
N/A

>  <Target> (318)
Sirtuin

>  <Form> (318)
Free Base

>  <URL> (318)
http://www.selleckchem.com/products/srt2104-gsk2245840.html

>  <CAS Number> (318)
1093403-33-8

$$$$
CB-839.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (319)
2485

>  <Formula> (319)
C26H24F3N7O3S

>  <MolWeight> (319)
571.5740696

>  <Item Name> (319)
CB-839

>  <Catalog Number> (319)
S7655

>  <Synonyms> (319)
N/A

>  <Target> (319)
Glutaminase

>  <Form> (319)
Free Base

>  <URL> (319)
http://www.selleckchem.com/products/cb-839.html

>  <CAS Number> (319)
1439399-58-2

$$$$
AT7519 HCl.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (320)
2503

>  <Formula> (320)
C16H18Cl3N5O2

>  <MolWeight> (320)
418.70542

>  <Item Name> (320)
AT7519 HCl

>  <Catalog Number> (320)
S7808

>  <Synonyms> (320)
N/A

>  <Target> (320)
CDK

>  <Form> (320)
Hydrochloride

>  <URL> (320)
http://www.selleckchem.com/products/at7519-hcl.html

>  <CAS Number> (320)
902135-91-5

$$$$
Licochalcone A.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (321)
2517

>  <Formula> (321)
C21H22O4

>  <MolWeight> (321)
338.39698

>  <Item Name> (321)
Licochalcone A

>  <Catalog Number> (321)
S7828

>  <Synonyms> (321)
N/A

>  <Target> (321)
Estrogen/progestogen Receptor

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (321)
58749-22-7

$$$$
E3330.cdx
csChFnd80/10101813202D

 27 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (322)
2520

>  <Formula> (322)
C21H30O6

>  <MolWeight> (322)
378.4593

>  <Item Name> (322)
E3330

>  <Catalog Number> (322)
S7445

>  <Synonyms> (322)
N/A

>  <Target> (322)
DNA/RNA Synthesis

>  <Form> (322)
Free Base

>  <URL> (322)
http://www.selleckchem.com/products/e3330.html

>  <CAS Number> (322)
136164-66-4

$$$$
Endoxifen HCl.cdx
csChFnd80/10101813202D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (323)
2521

>  <Formula> (323)
C25H28ClNO2

>  <MolWeight> (323)
409.94832

>  <Item Name> (323)
Endoxifen HCl

>  <Catalog Number> (323)
S7839

>  <Synonyms> (323)
N/A

>  <Target> (323)
Estrogen/progestogen Receptor

>  <Form> (323)
Hydrochloride

>  <URL> (323)
http://www.selleckchem.com/products/endoxifen-hcl.html

>  <CAS Number> (323)
1032008-74-4

$$$$
BI-847325.cdx
csChFnd80/10101813202D

 35 38  0  0  0  0  0  0  0  0999 V2000
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1474034-05-3

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Acetate

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TLR

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144875-48-9

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HIF

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223387-75-5

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Thioredoxin

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Free Base

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141400-58-0

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csChFnd80/10101813202D

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S7936

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ROCK

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Free Base

>  <URL> (358)
http://www.selleckchem.com/products/kd025-(slx-2119).html

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911417-87-3

$$$$
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Histone Demethylase

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Dihydrochloride

>  <URL> (359)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

>  <CAS Number> (359)
1401966-69-5

$$$$
STA-21.cdx
csChFnd80/10101813202D

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STAT

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111540-00-2

$$$$
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csChFnd80/10101813202D

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HIF

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Free Base

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960539-70-2

$$$$
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mTOR

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Free Base

>  <URL> (362)
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>  <CAS Number> (362)
1228013-30-6

$$$$
BEC Hydrochloride.cdx
csChFnd80/10101813202D

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>  <Target> (363)
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hydrochloride salt

>  <URL> (363)
http://www.selleckchem.com/products/bec-hydrochloride.html

>  <CAS Number> (363)
222638-67-7

$$$$
AZD3965.cdx
csChFnd80/10101813202D

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>  <Target> (364)
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Free Base

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http://www.selleckchem.com/products/azd3965.html

>  <CAS Number> (364)
1448671-31-5

$$$$
ICI-118551(ICI-118,551).cdx
csChFnd80/10101813202D

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>  <Synonyms> (365)
ICI-118,551

>  <Target> (365)
Adrenergic Receptor

>  <Form> (365)
Hydrochloride

>  <URL> (365)
http://www.selleckchem.com/products/ici-118551-ici-118-551.html

>  <CAS Number> (365)
1217094-53-5

$$$$
MLN2480.cdx
csChFnd80/10101813202D

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>  <Item Name> (366)
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>  <Catalog Number> (366)
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>  <Synonyms> (366)
BIIB-024

>  <Target> (366)
Raf

>  <Form> (366)
Free Base

>  <URL> (366)
http://www.selleckchem.com/products/mln2480.html

>  <CAS Number> (366)
1096708-71-2

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ERK

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839707-37-8

$$$$
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Wnt/beta-catenin

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>  <URL> (373)
http://www.selleckchem.com/products/pri-724.html

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847591-62-2

$$$$
4-Hydroxytamoxifen (4-HT, Afimoxifene).cdx
csChFnd80/10101813202D

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Estrogen/progestogen Receptor

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>  <URL> (374)
http://www.selleckchem.com/products/4-hydroxytamoxifen-4-ht-afimoxifene.html

>  <CAS Number> (374)
68392-35-8

$$$$
GSK2292767.cdx
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1254036-66-2

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c-Met

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/amg-337.html

>  <CAS Number> (376)
1173699-31-4

$$$$
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L-663536

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Lipoxygenase

>  <Form> (377)
Free Base

>  <URL> (377)
http://www.selleckchem.com/products/mk-886-l-663-536.html

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118414-82-7

$$$$
S4694 Alosetron Hydrochloride.cdx
csChFnd80/10101813202D

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C17H19ClN4O

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5-HT Receptor

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hydrochloride

>  <URL> (378)
http://www.selleckchem.com/products/alosetron-hydrochloride.html

>  <CAS Number> (378)
122852-69-1

$$$$
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>  <Mol_ID> (379)
2914

>  <Formula> (379)
C22H34N6O16S4

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>  <Item Name> (379)
Ademetionine disulfate tosylate 

>  <Catalog Number> (379)
S4515

>  <Synonyms> (379)
N/A

>  <Target> (379)
Others

>  <Form> (379)
Disulfate tosylate

>  <URL> (379)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

>  <CAS Number> (379)
97540-22-2

$$$$
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2923

>  <Formula> (380)
C18H27N3O6S3

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477.61848

>  <Item Name> (380)
TRx0237 (LMTX) mesylate

>  <Catalog Number> (380)
S7762

>  <Synonyms> (380)
N/A

>  <Target> (380)
Microtubule Associated

>  <Form> (380)
Dimesylate

>  <URL> (380)
http://www.selleckchem.com/products/trx0237-lmtx.html

>  <CAS Number> (380)
1236208-20-0

$$$$
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csChFnd80/10101813202D

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>  <Mol_ID> (381)
2944

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C11H10N2O2

>  <MolWeight> (381)
202.2093

>  <Item Name> (381)
MLR-1023

>  <Catalog Number> (381)
S8321

>  <Synonyms> (381)
Tolimidone, CP-26154

>  <Target> (381)
Others

>  <Form> (381)
Free Base

>  <URL> (381)
http://www.selleckchem.com/products/mlr-1023.html

>  <CAS Number> (381)
41964-07-2

$$$$
LY3023414.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (382)
2945

>  <Formula> (382)
C23H26N4O3

>  <MolWeight> (382)
406.47754

>  <Item Name> (382)
LY3023414

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S8322

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GTPL8918

>  <Target> (382)
Akt

>  <Form> (382)
Free Base

>  <URL> (382)
http://www.selleckchem.com/products/ly3023414.html

>  <CAS Number> (382)
1386874-06-1

$$$$
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>  <Mol_ID> (383)
2948

>  <Formula> (383)
C24H24FN7O

>  <MolWeight> (383)
445.4920632

>  <Item Name> (383)
Selonsertib (GS-4997)

>  <Catalog Number> (383)
S8292

>  <Synonyms> (383)
N/A

>  <Target> (383)
Caspase

>  <Form> (383)
Free Base

>  <URL> (383)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

>  <CAS Number> (383)
1448428-04-3

$$$$
S4706 Eugenol.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (384)
2949

>  <Formula> (384)
C10H12O2

>  <MolWeight> (384)
164.20108

>  <Item Name> (384)
Eugenol

>  <Catalog Number> (384)
S4706

>  <Synonyms> (384)
4-Allyl-2-methoxyphenol, 4-Allylguaiacol, Eugenic acid, Allylguaiacol

>  <Target> (384)
Others

>  <Form> (384)
Free Base

>  <URL> (384)
http://www.selleckchem.com/products/eugenol.html

>  <CAS Number> (384)
97-53-0

$$$$
AT-406.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (385)
2952

>  <Formula> (385)
C32H43N5O4

>  <MolWeight> (385)
561.71492

>  <Item Name> (385)
AT-406

>  <Catalog Number> (385)
S2754

>  <Synonyms> (385)
N/A

>  <Target> (385)
IAP

>  <Form> (385)
Free Base

>  <URL> (385)
http://www.selleckchem.com/products/at-406.html

>  <CAS Number> (385)
1071992-99-8, 1071992-57-8 (HCl)

$$$$
LY333531.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (386)
2969

>  <Formula> (386)
C28H29ClN4O3

>  <MolWeight> (386)
505.00786

>  <Item Name> (386)
LY333531 HCl

>  <Catalog Number> (386)
S7663

>  <Synonyms> (386)
Ruboxistaurin

>  <Target> (386)
PKC

>  <Form> (386)
hydrochloride

>  <URL> (386)
http://www.selleckchem.com/products/ly333531.html

>  <CAS Number> (386)
169939-93-9

$$$$
MK-4101.cdx
csChFnd80/10101813202D

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 22  8  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  8  1  0  0  0  0
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 29 25  2  0  0  0  0
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 32 33  1  0  0  0  0
 33 30  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (387)
2976

>  <Formula> (387)
C24H24F5N5O

>  <MolWeight> (387)
493.472276

>  <Item Name> (387)
MK-4101

>  <Catalog Number> (387)
S8200

>  <Synonyms> (387)
N/A

>  <Target> (387)
Hedgehog/Smoothened

>  <Form> (387)
Free Base

>  <URL> (387)
http://www.selleckchem.com/products/mk-4101.html

>  <CAS Number> (387)
935273-79-3

$$$$
S4704 D-(+)-Cellobiose.cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.1192    2.7611    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.9088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.0349    1.9088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.1352    2.9108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8868    2.9108    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
  2  3  1  1  0  0  0
  3  4  1  1  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  3 10  1  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  1  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13  8  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  CFW  13 BOND_GSTEREO 5
M  END
>  <Mol_ID> (388)
2978

>  <Formula> (388)
C12H22O11

>  <MolWeight> (388)
342.29648

>  <Item Name> (388)
D-(+)-Cellobiose

>  <Catalog Number> (388)
S4704

>  <Synonyms> (388)
Cellobiose|Cellose|Beta-Cellobiose|D-Cellobiose

>  <Target> (388)
Others

>  <Form> (388)
Free Base

>  <URL> (388)
http://www.selleckchem.com/products/d-cellobiose.html

>  <CAS Number> (388)
528-50-7

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/10101813202D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    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
    3.6373    1.4000    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
    3.6373    4.2000    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    2.1000    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
    4.8497    3.5000    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
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (389)
2982

>  <Formula> (389)
C10H7NO3

>  <MolWeight> (389)
189.16748

>  <Item Name> (389)
Kynurenic acid

>  <Catalog Number> (389)
S4719

>  <Synonyms> (389)
Quinurenic acid|Kynurenate

>  <Target> (389)
Others

>  <Form> (389)
Free Base

>  <URL> (389)
http://www.selleckchem.com/products/kynurenic-acid.html

>  <CAS Number> (389)
492-27-3

$$$$
S4728 3,3'-Diindolylmethane.cdx
csChFnd80/10101813202D

 19 22  0  0  0  0  0  0  0  0999 V2000
    2.7780    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919    1.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193    1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2452    3.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2503    2.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483    0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7017    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    3.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4977    1.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7448    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7143    0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7321    1.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056    3.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0941    0.3445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0908    1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4575    4.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4516    3.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (390)
2983

>  <Formula> (390)
C17H14N2

>  <MolWeight> (390)
246.30646

>  <Item Name> (390)
3,3'-Diindolylmethane

>  <Catalog Number> (390)
S4728

>  <Synonyms> (390)
DIM

>  <Target> (390)
Others

>  <Form> (390)
Free Base

>  <URL> (390)
http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (390)
1968-05-4

$$$$
S4708 Palmitoylethanolamide.cdx
csChFnd80/10101813202D

 21 20  0  0  0  0  0  0  0  0999 V2000
   15.7343    0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5056    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9264    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2955    0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1552    0.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0851    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3654    0.0367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1735    2.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9296    0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7102    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7861    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    0.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0057    0.6693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0883    0.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    0.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390    0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3119    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (391)
2986

>  <Formula> (391)
C18H37NO2

>  <MolWeight> (391)
299.49188

>  <Item Name> (391)
Palmitoylethanolamide

>  <Catalog Number> (391)
S4708

>  <Synonyms> (391)
Palmidrol|N-palmitoylethanolamine

>  <Target> (391)
PPAR

>  <Form> (391)
Free Base

>  <URL> (391)
http://www.selleckchem.com/products/palmitoylethanolamide.html

>  <CAS Number> (391)
544-31-0

$$$$
S4721 L-Glutamic acid monosodium salt.cdx
csChFnd80/10101813202D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  1  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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Na  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
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (392)
2987

>  <Formula> (392)
C5H8NNaO4

>  <MolWeight> (392)
169.11109

>  <Item Name> (392)
L-Glutamic acid monosodium salt

>  <Catalog Number> (392)
S4721

>  <Synonyms> (392)
Monosodium glutamate|MSG

>  <Target> (392)
Others

>  <Form> (392)
sodium salt

>  <URL> (392)
http://www.selleckchem.com/products/l-glutamic-acid-monosodium-salt.html

>  <CAS Number> (392)
142-47-2

$$$$
S4726 Lauric Acid.cdx
csChFnd80/10101813202D

 14 13  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   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
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 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
M  END
>  <Mol_ID> (393)
2999

>  <Formula> (393)
C12H24O2

>  <MolWeight> (393)
200.31776

>  <Item Name> (393)
Lauric Acid

>  <Catalog Number> (393)
S4726

>  <Synonyms> (393)
N/A

>  <Target> (393)
Others

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/lauric-acid.html

>  <CAS Number> (393)
143-07-7

$$$$
AZD8835.cdx
csChFnd80/10101813202D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.5287    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5287    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    0.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9536    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9536    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    2.8187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3163    2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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C22H31N9O3

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AZD8835

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PI3K

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Free Base

>  <URL> (394)
http://www.selleckchem.com/products/azd8835.html

>  <CAS Number> (394)
1620576-64-8

$$$$
LOXO-101.cdx
csChFnd80/10101813202D

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3007

>  <Formula> (395)
C21H24F2N6O6S

>  <MolWeight> (395)
526.5136664

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LOXO-101(sulfate)

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S7960

>  <Synonyms> (395)
N/A

>  <Target> (395)
Trk receptor

>  <Form> (395)
sulfate

>  <URL> (395)
http://www.selleckchem.com/products/loxo-101.html

>  <CAS Number> (395)
1223405-08-0

$$$$
BMS-911543.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (396)
3015

>  <Formula> (396)
C23H28N8O

>  <MolWeight> (396)
432.52142

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BMS-911543

>  <Catalog Number> (396)
S7144

>  <Synonyms> (396)
N/A

>  <Target> (396)
JAK

>  <Form> (396)
Free Base

>  <URL> (396)
http://www.selleckchem.com/products/bms-911543.html

>  <CAS Number> (396)
1271022-90-2

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/10101813202D

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3020

>  <Formula> (397)
C6H12O5

>  <MolWeight> (397)
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2-Deoxy-D-glucose

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S4701

>  <Synonyms> (397)
2-deoxyglucose, NSC 15193

>  <Target> (397)
Others

>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

>  <CAS Number> (397)
154-17-6

$$$$
S4702 Sarcosine.cdx
csChFnd80/10101813202D

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3021

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C3H7NO2

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Sarcosine

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S4702

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N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (398)
NMDAR

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/sarcosine.html

>  <CAS Number> (398)
107-97-1

$$$$
S4709 Latanoprost.cdx
csChFnd80/10101813202D

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    6.7356    6.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9356    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6356    9.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6356    7.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0794    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0356    9.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356   11.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (399)
3024

>  <Formula> (399)
C26H40O5

>  <MolWeight> (399)
432.5928

>  <Item Name> (399)
Latanoprost

>  <Catalog Number> (399)
S4709

>  <Synonyms> (399)
Xalatan, PhXA41, PHXA-41

>  <Target> (399)
GPR

>  <Form> (399)
Free Base

>  <URL> (399)
http://www.selleckchem.com/products/latanoprost.html

>  <CAS Number> (399)
130209-82-4

$$$$
S4710 Picolinamide.cdx
csChFnd80/10101813202D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (400)
3025

>  <Formula> (400)
C6H6N2O

>  <MolWeight> (400)
122.12464

>  <Item Name> (400)
Picolinamide

>  <Catalog Number> (400)
S4710

>  <Synonyms> (400)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (400)
PARP

>  <Form> (400)
Free Base

>  <URL> (400)
http://www.selleckchem.com/products/picolinamide.html

>  <CAS Number> (400)
1452-77-3

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
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M  END
>  <Mol_ID> (401)
3026

>  <Formula> (401)
C15H14O6

>  <MolWeight> (401)
290.26806

>  <Item Name> (401)
(+)-Catechin hydrate

>  <Catalog Number> (401)
S3974

>  <Synonyms> (401)
N/A

>  <Target> (401)
Others

>  <Form> (401)
hydrate 

>  <URL> (401)
http://selleckchem.com/products/catechin-hydrate.html

>  <CAS Number> (401)
225937-10-0

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (402)
3027

>  <Formula> (402)
C15H14O6

>  <MolWeight> (402)
290.26806

>  <Item Name> (402)
(-)Epicatechin

>  <Catalog Number> (402)
S4723

>  <Synonyms> (402)
L-Epicatechin, (-)-Epicatechol

>  <Target> (402)
Others

>  <Form> (402)
Free Base

>  <URL> (402)
http://www.selleckchem.com/products/-epicatechin.html

>  <CAS Number> (402)
490-46-0

$$$$
Pamapimod.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (403)
3036

>  <Formula> (403)
C19H20F2N4O4

>  <MolWeight> (403)
406.3833064

>  <Item Name> (403)
Pamapimod (R-1503, Ro4402257)

>  <Catalog Number> (403)
S8125

>  <Synonyms> (403)
N/A

>  <Target> (403)
p38 MAPK

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

>  <CAS Number> (403)
449811-01-2

$$$$
AS101.cdx
csChFnd80/10101813202D

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.5257    1.2853    0.0000 Te  0  5  0  0  0  0  0  0  0  0  0  0
    6.3548    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (404)
3040

>  <Formula> (404)
C2H8Cl3NO2Te

>  <MolWeight> (404)
312.04942

>  <Item Name> (404)
AS101

>  <Catalog Number> (404)
S8301

>  <Synonyms> (404)
N/A

>  <Target> (404)
Others

>  <Form> (404)
Coordination Co

>  <URL> (404)
http://www.selleckchem.com/products/as101.html

>  <CAS Number> (404)
106566-58-9

$$$$
untitled.cdx
csChFnd80/10101813202D

 47 52  0  0  0  0  0  0  0  0999 V2000
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NVP-CGM097

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CGM-097, CGM 097, CGM 097, NVP CGM097

>  <Target> (405)
E3 Ligase

>  <Form> (405)
Free Base

>  <URL> (405)
http://www.selleckchem.com/products/nvp-cgm097.html

>  <CAS Number> (405)
1313363-54-0

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BFH772

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S8188

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BFH 772, BFH-772

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VEGFR

>  <Form> (406)
Free Base

>  <URL> (406)
http://www.selleckchem.com/products/bfh772.html

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890128-81-1

$$$$
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CPI-1205

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CPI 1205, CPI1205

>  <Target> (407)
Histone Methyltransferase

>  <Form> (407)
Free Base

>  <URL> (407)
http://www.selleckchem.com/products/cpi-1205.html

>  <CAS Number> (407)
1621862-70-1

$$$$
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Estrogen/progestogen Receptor

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http://www.selleckchem.com/products/azd9496.html

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1639042-08-2

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BGP-15.cdx
csChFnd80/10101813202D

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PARP

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dihydrochloride

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http://www.selleckchem.com/products/bgp-15.html

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66611-37-8

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
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Tucatinib

>  <Target> (410)
HER2

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Free Base

>  <URL> (410)
http://www.selleckchem.com/products/arry-380-ont-380.html

>  <CAS Number> (410)
937263-43-9

$$$$
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csChFnd80/10101813202D

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c-Met

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1206799-15-6

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M  END
>  <Mol_ID> (412)
3064

>  <Formula> (412)
C18H22N8O2

>  <MolWeight> (412)
382.41968

>  <Item Name> (412)
GDC-0084

>  <Catalog Number> (412)
S8163

>  <Synonyms> (412)
N/A

>  <Target> (412)
PI3K

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/gdc-0084.html

>  <CAS Number> (412)
1382979-44-3

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (413)
3071

>  <Formula> (413)
C36H30O16

>  <MolWeight> (413)
718.6138

>  <Item Name> (413)
Salvianolic acid B

>  <Catalog Number> (413)
S4735

>  <Synonyms> (413)
Lithospermate B

>  <Target> (413)
Others

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/salvianolic-acid-b.html

>  <CAS Number> (413)
121521-90-2

$$$$
CC-115.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (414)
3073

>  <Formula> (414)
C16H16N8O

>  <MolWeight> (414)
336.35124

>  <Item Name> (414)
CC-115

>  <Catalog Number> (414)
S7891

>  <Synonyms> (414)
N/A

>  <Target> (414)
DNA-PK

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/cc-115.html

>  <CAS Number> (414)
1228013-15-7

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (415)
3080

>  <Formula> (415)
C25H30N6O2

>  <MolWeight> (415)
446.5447

>  <Item Name> (415)
JNJ-42756493 (Erdafitinib)

>  <Catalog Number> (415)
S8401

>  <Synonyms> (415)
N/A

>  <Target> (415)
FGFR

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

>  <CAS Number> (415)
1346242-81-6

$$$$
Y-39983 HCl.cdx
csChFnd80/10101813202D

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ROCK

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dihydrochloride

>  <URL> (416)
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173897-44-4

$$$$
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p53

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5291-32-7

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csChFnd80/10101813202D

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1383982-64-6

$$$$
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csChFnd80/10101813202D

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PI3K

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>  <URL> (419)
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1254036-71-9

$$$$
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csChFnd80/10101813202D

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Thrombin

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Sodium salt

>  <URL> (420)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

>  <CAS Number> (420)
24276-84-4

$$$$
S4737 Psoralen.cdx
csChFnd80/10101813202D

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DNA/RNA Synthesis

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66-97-7

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1421438-81-4

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1238697-26-1

$$$$
1400W.cdx
csChFnd80/10101813202D

 15 13  0  0  0  0  0  0  0  0999 V2000
   16.2505    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2505    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4629    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8878    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1002    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4007    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6132    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   20.5611    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (426)
3112

>  <Formula> (426)
C10H17Cl2N3

>  <MolWeight> (426)
250.16808

>  <Item Name> (426)
1400W 2HCl

>  <Catalog Number> (426)
S8337

>  <Synonyms> (426)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (426)
Others

>  <Form> (426)
dihydrochloride

>  <URL> (426)
http://www.selleckchem.com/products/1400w.html

>  <CAS Number> (426)
214358-33-5

$$$$
ARQ 092.cdx
csChFnd80/10101813202D

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 30 31  2  0  0  0  0
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 33 16  1  0  0  0  0
M  END
>  <Mol_ID> (427)
3113

>  <Formula> (427)
C27H25ClN6

>  <MolWeight> (427)
468.9806

>  <Item Name> (427)
Miransertib (ARQ 092)HCl

>  <Catalog Number> (427)
S8339

>  <Synonyms> (427)
Miransertib

>  <Target> (427)
Akt

>  <Form> (427)
hydrochloride

>  <URL> (427)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (427)
1313883-00-9

$$$$
Genistin.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (428)
3114

>  <Formula> (428)
C21H20O10

>  <MolWeight> (428)
432.3775

>  <Item Name> (428)
Genistin (Genistoside)

>  <Catalog Number> (428)
S2301

>  <Synonyms> (428)
Genistoside, Genistine, Genistein 7-glucoside, Genistein glucoside

>  <Target> (428)
Others

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/Genistin(Genistoside).html

>  <CAS Number> (428)
529-59-9

$$$$
RRx-001.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (429)
3125

>  <Formula> (429)
C5H6BrN3O5

>  <MolWeight> (429)
268.02224

>  <Item Name> (429)
RRx-001

>  <Catalog Number> (429)
S8405

>  <Synonyms> (429)
N/A

>  <Target> (429)
Dehydrogenase

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/rrx-001.html

>  <CAS Number> (429)
925206-65-1

$$$$
S8275-eFT-508.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (430)
3127

>  <Formula> (430)
C17H20N6O2

>  <MolWeight> (430)
340.3797

>  <Item Name> (430)
eFT-508 (eFT508)

>  <Catalog Number> (430)
S8275

>  <Synonyms> (430)
N/A

>  <Target> (430)
MNK

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/eft-508.html

>  <CAS Number> (430)
1849590-01-7

$$$$
S4743 Wogonin.cdx
csChFnd80/10101813202D

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3129

>  <Formula> (431)
C16H12O5

>  <MolWeight> (431)
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Wogonin

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S4743

>  <Synonyms> (431)
Vogonin

>  <Target> (431)
CDK

>  <Form> (431)
Free Base

>  <URL> (431)
http://www.selleckchem.com/products/wogonin.html

>  <CAS Number> (431)
632-85-9

$$$$
CC-122.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (432)
3137

>  <Formula> (432)
C14H14N4O3

>  <MolWeight> (432)
286.28596

>  <Item Name> (432)
Avadomide(CC-122)

>  <Catalog Number> (432)
S7892

>  <Synonyms> (432)
N/A

>  <Target> (432)
E3 Ligase

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/cc-122.html

>  <CAS Number> (432)
1015474-32-4

$$$$
S4752 Corticosterone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (433)
3141

>  <Formula> (433)
C21H30O4

>  <MolWeight> (433)
346.4605

>  <Item Name> (433)
Corticosterone

>  <Catalog Number> (433)
S4752

>  <Synonyms> (433)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (433)
Glucocorticoid Receptor

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/corticosterone.html

>  <CAS Number> (433)
50-22-6

$$$$
BAY 1217389.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (434)
3143

>  <Formula> (434)
C27H24F5N5O3

>  <MolWeight> (434)
561.503176

>  <Item Name> (434)
BAY 1217389

>  <Catalog Number> (434)
S8215

>  <Synonyms> (434)
N/A

>  <Target> (434)
Kinesin

>  <Form> (434)
Free Base

>  <URL> (434)
http://www.selleckchem.com/products/bay-1217389.html

>  <CAS Number> (434)
1554458-53-5

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/10101813202D

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3146

>  <Formula> (435)
C30H42N8O3

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ASP8273 (Naquotinib)

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S8412

>  <Synonyms> (435)
N/A

>  <Target> (435)
EGFR

>  <Form> (435)
Free Base

>  <URL> (435)
http://www.selleckchem.com/products/naquotinib-asp8273.html

>  <CAS Number> (435)
1448232-80-1

$$$$
LXR-623 (WAY-252623).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (436)
3147

>  <Formula> (436)
C21H12ClF5N2

>  <MolWeight> (436)
422.778396

>  <Item Name> (436)
LXR-623 (WAY-252623)

>  <Catalog Number> (436)
S8390

>  <Synonyms> (436)
N/A

>  <Target> (436)
Liver X Receptor

>  <Form> (436)
Free Base

>  <URL> (436)
http://www.selleckchem.com/products/lxr-623-way-252623.html

>  <CAS Number> (436)
875787-07-8

$$$$
ONO-4059 (GS-4059).cdx
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>  <Mol_ID> (437)
3151

>  <Formula> (437)
C25H23ClN6O3

>  <MolWeight> (437)
490.94152

>  <Item Name> (437)
ONO-4059 (GS-4059) hydrochloride

>  <Catalog Number> (437)
S8166

>  <Synonyms> (437)
N/A

>  <Target> (437)
BTK

>  <Form> (437)
hydrochloride

>  <URL> (437)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

>  <CAS Number> (437)
1439901-97-9

$$$$
ABBV-075 (Mivebresib).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (438)
3156

>  <Formula> (438)
C22H19F2N3O4S

>  <MolWeight> (438)
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>  <Item Name> (438)
ABBV-075 (Mivebresib)

>  <Catalog Number> (438)
S8400

>  <Synonyms> (438)
N/A

>  <Target> (438)
Epigenetic Reader Domain

>  <Form> (438)
Free Base

>  <URL> (438)
http://www.selleckchem.com/products/mivebresib-abbv-075.html

>  <CAS Number> (438)
1445993-26-9

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/10101813202D

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$$$$
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S7824

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N/A

>  <Target> (442)
EGFR

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

>  <CAS Number> (442)
1508250-71-2

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CC-930.cdx
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>  <Item Name> (443)
Tanzisertib(CC-930)

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>  <Synonyms> (443)
JNK-930|JNKI-1

>  <Target> (443)
JNK

>  <Form> (443)
hydrochloride

>  <URL> (443)
http://www.selleckchem.com/products/cc-930.html

>  <CAS Number> (443)
899805-25-5 (free base)

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FGFR

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Free Base

>  <URL> (444)
http://www.selleckchem.com/products/blu-554.html

>  <CAS Number> (444)
1707289-21-1

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FAK

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>  <URL> (445)
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>  <CAS Number> (445)
1224887-10-8

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3182

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C31H32ClN5O2S2

>  <MolWeight> (446)
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>  <Item Name> (446)
SRT3025 HCl

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S8481

>  <Synonyms> (446)
N/A

>  <Target> (446)
Sirtuin activator

>  <Form> (446)
hydrochloride

>  <URL> (446)
http://www.selleckchem.com/products/srt3025.html

>  <CAS Number> (446)
2070015-26-6

$$$$
CFI-400945.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (447)
3189

>  <Formula> (447)
C33H34N4O3

>  <MolWeight> (447)
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>  <Item Name> (447)
CFI-400945

>  <Catalog Number> (447)
S7552

>  <Synonyms> (447)
N/A

>  <Target> (447)
PLK

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/cfi-400945.html

>  <CAS Number> (447)
1338806-73-7

$$$$
AZD5153.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (448)
3192

>  <Formula> (448)
C36H41N7O6

>  <MolWeight> (448)
667.75404

>  <Item Name> (448)
AZD5153

>  <Catalog Number> (448)
S8344

>  <Synonyms> (448)
N/A

>  <Target> (448)
Epigenetic Reader Domain

>  <Form> (448)
2-Naphthalenecarboxylic acid

>  <URL> (448)
http://www.selleckchem.com/products/azd5153.html

>  <CAS Number> (448)
1869912-40-2

$$$$
VLX1570.cdx
csChFnd80/10101813202D

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hydrochloride

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$$$$
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$$$$
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MG-516

>  <Target> (453)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (453)
free base

>  <URL> (453)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

>  <CAS Number> (453)
1123837-84-2

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>  <Item Name> (454)
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N/A

>  <Target> (454)
 P2X2/3,P2X3

>  <Form> (454)
free base

>  <URL> (454)
http://www.selleckchem.com/products/a-317491.html

>  <CAS Number> (454)
475205-49-3 

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csChFnd80/10101813202D

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>  <Formula> (455)
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>  <MolWeight> (455)
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>  <Item Name> (455)
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>  <Synonyms> (455)
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>  <Target> (455)
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>  <Form> (455)
free base

>  <URL> (455)
http://www.selleckchem.com/products/tpx-0005.html

>  <CAS Number> (455)
no

$$$$
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human RIP1

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free base

>  <URL> (456)
http://www.selleckchem.com/products/gsk2982772.html

>  <CAS Number> (456)
1622848-92-3

$$$$
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>  <Synonyms> (457)
N/A

>  <Target> (457)
Nanog

>  <Form> (457)
free base

>  <URL> (457)
http://www.selleckchem.com/products/amcasertib-bbi503.html

>  <CAS Number> (457)
1129403-56-0

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>  <Target> (458)
PI3K¦Ã

>  <URL> (458)
http://www.selleckchem.com/products/ipi-549.html

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1693758-51-8

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GBT440.cdx
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>  <Form> (459)
free base

>  <URL> (459)
http://www.selleckchem.com/products/gbt440.html

>  <CAS Number> (459)
1446321-46-5

$$$$
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3242

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C23H22ClN7O3

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PF-06273340

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N/A

>  <Target> (460)
TrkC,TrkB,TrkA

>  <Form> (460)
free base

>  <URL> (460)
http://www.selleckchem.com/products/pf-06273340.html

>  <CAS Number> (460)
1402438-74-7

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/10101813202D

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3247

>  <Formula> (461)
C19H17N5O3

>  <MolWeight> (461)
363.36998

>  <Item Name> (461)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Catalog Number> (461)
S8581

>  <Synonyms> (461)
N/A

>  <Target> (461)
PI3K¦Á 

>  <Form> (461)
Free base

>  <URL> (461)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

>  <CAS Number> (461)
1268454-23-4

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (462)
3249

>  <Formula> (462)
C2HCl2NaO2

>  <MolWeight> (462)
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>  <Item Name> (462)
Sodium dichloroacetate (DCA)

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S8615

>  <Synonyms> (462)
bichloroacetic acid, BCA

>  <Target> (462)
PDK

>  <Form> (462)
sodium salt

>  <URL> (462)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

>  <CAS Number> (462)
2156-56-1

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (463)
3251

>  <Formula> (463)
C33H44FN5O3

>  <MolWeight> (463)
577.7325632

>  <Item Name> (463)
Belizatinib (TSR-011)

>  <Catalog Number> (463)
S8511

>  <Synonyms> (463)
N/A

>  <Target> (463)
ALK,TRK

>  <Form> (463)
free base

>  <URL> (463)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

>  <CAS Number> (463)
1357920-84-3

$$$$
BGB-283.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (464)
3255

>  <Formula> (464)
C25H17F3N4O3

>  <MolWeight> (464)
478.4226896

>  <Item Name> (464)
Lifirafenib (BGB-283)

>  <Catalog Number> (464)
S7926

>  <Synonyms> (464)
Beigene-283

>  <Target> (464)
RAF,EGFR

>  <Form> (464)
free base

>  <URL> (464)
http://www.selleckchem.com/products/bgb-283-bgb283.html

>  <CAS Number> (464)
1446090-79-4

$$$$
PRN1371.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (465)
3258

>  <Formula> (465)
C26H30Cl2N6O4

>  <MolWeight> (465)
561.4602

>  <Item Name> (465)
PRN1371

>  <Catalog Number> (465)
S8578

>  <Synonyms> (465)
N/A

>  <Target> (465)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (465)
free base

>  <URL> (465)
http://www.selleckchem.com/products/prn1371.html

>  <CAS Number> (465)
1802929-43-6

$$$$
AG-881.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (466)
3259

>  <Formula> (466)
C14H13ClF6N6

>  <MolWeight> (466)
414.7366392

>  <Item Name> (466)
Vorasidenib (AG-881)

>  <Catalog Number> (466)
S8611

>  <Synonyms> (466)
N/A

>  <Target> (466)
IDH1,IDH2 

>  <Form> (466)
free base

>  <URL> (466)
http://www.selleckchem.com/products/ag-881.html

>  <CAS Number> (466)
1644545-52-7

$$$$
S 38093.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (467)
3260

>  <Formula> (467)
C17H24N2O2

>  <MolWeight> (467)
288.38466

>  <Item Name> (467)
S 38093

>  <Catalog Number> (467)
S8598

>  <Synonyms> (467)
N/A

>  <Target> (467)
human H3 receptor,mouse H3 receptor,rat H3 r

>  <Form> (467)
free base

>  <URL> (467)
http://www.selleckchem.com/products/S-38093.html

>  <CAS Number> (467)
862896-30-8

$$$$
Ensartinib (X-396).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (468)
3261

>  <Formula> (468)
C26H27Cl2FN6O3

>  <MolWeight> (468)
561.4353832

>  <Item Name> (468)
Ensartinib (X-396)

>  <Catalog Number> (468)
S8230

>  <Synonyms> (468)
N/A

>  <Target> (468)
Met,ALK 

>  <Form> (468)
free base

>  <URL> (468)
http://www.selleckchem.com/products/ensartinib-x-396.html

>  <CAS Number> (468)
1370651-20-9

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/10101813202D

 40 44  0  0  0  0  0  0  0  0999 V2000
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 39 40  1  0  0  0  0
 40 13  1  0  0  0  0
M  END
>  <Mol_ID> (469)
3262

>  <Formula> (469)
C29H44N8O3

>  <MolWeight> (469)
552.71146

>  <Item Name> (469)
Gilteritinib (ASP2215)

>  <Catalog Number> (469)
S7754

>  <Synonyms> (469)
N/A

>  <Target> (469)
FLT3,Axl 

>  <Form> (469)
free base

>  <URL> (469)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

>  <CAS Number> (469)
1254053-43-4

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (470)
3264

>  <Formula> (470)
C22H19FN4O2

>  <MolWeight> (470)
390.4102632

>  <Item Name> (470)
Tucidinostat (Chidamide)

>  <Catalog Number> (470)
S8567 

>  <Synonyms> (470)
HBI-8000, CS-055

>  <Target> (470)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (470)
free base

>  <URL> (470)
http://www.selleckchem.com/products/tucidinostat-chidamide.html

>  <CAS Number> (470)
743420-02-2

$$$$
S4757 Dihydrotestosterone.cdx
csChFnd80/10101813202D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0595    2.8168    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 21  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4  9  1  0  0  0  0
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 19 20  2  0  0  0  0
  7 25  1  1  0  0  0
M  END
>  <Mol_ID> (471)
3276

>  <Formula> (471)
C19H30O2

>  <MolWeight> (471)
290.4403

>  <Item Name> (471)
Dihydrotestosterone (DHT)

>  <Catalog Number> (471)
S4757

>  <Synonyms> (471)
androstanolone, stanolone, 5¦Á-DHT

>  <Target> (471)
androgen receptor

>  <Form> (471)
free base

>  <URL> (471)
http://www.selleckchem.com/products/dihydrotestosterone.html

>  <CAS Number> (471)
521-18-6

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1346    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (472)
3278

>  <Formula> (472)
C18H16O8

>  <MolWeight> (472)
360.31484

>  <Item Name> (472)
Rosmarinic acid

>  <Catalog Number> (472)
S3612

>  <Synonyms> (472)
Rosemary acid

>  <Target> (472)
IKK ¦Â

>  <Form> (472)
free base

>  <URL> (472)
http://www.selleckchem.com/products/rosmarinic-acid.html

>  <CAS Number> (472)
20283-92-5

$$$$
S3605 Borneol.cdx
csChFnd80/10101813202D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.6382    1.8442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (473)
3281

>  <Formula> (473)
C10H18O

>  <MolWeight> (473)
154.24932

>  <Item Name> (473)
Borneol

>  <Catalog Number> (473)
S3605

>  <Synonyms> (473)
N/A

>  <Target> (473)
TRPM8

>  <Form> (473)
free base

>  <URL> (473)
http://www.selleckchem.com/products/borneol.html

>  <CAS Number> (473)
507-70-0

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/10101813202D

  9  8  0  0  0  0  0  0  0  0999 V2000
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    1.2019    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (474)
3301

>  <Formula> (474)
C5H12N2S2

>  <MolWeight> (474)
164.29218

>  <Item Name> (474)
Pyrrolidinedithiocarbamate ammonium

>  <Catalog Number> (474)
S3633

>  <Synonyms> (474)
APDC, PDTC

>  <Target> (474)
NF-¦ÊB

>  <Form> (474)
ammonium salt

>  <URL> (474)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

>  <CAS Number> (474)
5108-96-3

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/10101813202D

 65 69  0  0  0  0  0  0  0  0999 V2000
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   12.1434    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9289    5.5710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.8398   11.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (475)
3302

>  <Formula> (475)
C42H68N2O16

>  <MolWeight> (475)
856.99312

>  <Item Name> (475)
Diammonium Glycyrrhizinate

>  <Catalog Number> (475)
S3622

>  <Synonyms> (475)
N/A

>  <Target> (475)
Others

>  <Form> (475)
ammonium salt 

>  <URL> (475)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (475)
79165-06-3

$$$$
S3610 Cordycepin.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.8869    5.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    5.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576    4.0535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.1289    3.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832    2.9247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8813    7.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (476)
3310

>  <Formula> (476)
C10H13N5O3

>  <MolWeight> (476)
251.24192

>  <Item Name> (476)
Cordycepin

>  <Catalog Number> (476)
S3610

>  <Synonyms> (476)
N/A

>  <Target> (476)
Others

>  <Form> (476)
free base

>  <URL> (476)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (476)
73-03-0

$$$$
S3625 Tyramine.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6425    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (477)
3313

>  <Formula> (477)
C8H11NO

>  <MolWeight> (477)
137.17904

>  <Item Name> (477)
Tyramine

>  <Catalog Number> (477)
S3625

>  <Synonyms> (477)
4-hydroxyphenethylamine, para-tyramine, mydrial, uteramin

>  <Target> (477)
Others

>  <Form> (477)
free base

>  <URL> (477)
http://www.selleckchem.com/products/tyramine.html

>  <CAS Number> (477)
51-67-2

$$$$
S3676 Carbendazim.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (478)
3330

>  <Formula> (478)
C9H9N3O2

>  <MolWeight> (478)
191.18666

>  <Item Name> (478)
Carbendazim

>  <Catalog Number> (478)
S3676

>  <Synonyms> (478)
Mercarzole, Carbendazole

>  <Target> (478)
Others

>  <Form> (478)
free base

>  <URL> (478)
http://www.selleckchem.com/products/carbendazim.html

>  <CAS Number> (478)
10605-21-7

$$$$
S3668 Thymopentin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (479)
3334

>  <Formula> (479)
C30H49N9O9

>  <MolWeight> (479)
679.76496

>  <Item Name> (479)
Thymopentin

>  <Catalog Number> (479)
S3668

>  <Synonyms> (479)
TP5

>  <Target> (479)
Immunology & Inflammation related

>  <Form> (479)
free base

>  <URL> (479)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (479)
69558-55-0

$$$$
S3674 Levamlodipine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (480)
3338

>  <Formula> (480)
C20H25ClN2O5

>  <MolWeight> (480)
408.8759

>  <Item Name> (480)
Levamlodipine

>  <Catalog Number> (480)
S3674

>  <Synonyms> (480)
S-amlodipine

>  <Target> (480)
calcium channel

>  <Form> (480)
free base

>  <URL> (480)
http://www.selleckchem.com/products/levamlodipine.html

>  <CAS Number> (480)
103129-82-4

$$$$
S3713 Moxidectin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (481)
3346

>  <Formula> (481)
C37H53NO8

>  <MolWeight> (481)
639.81862

>  <Item Name> (481)
Moxidectin

>  <Catalog Number> (481)
S3713

>  <Synonyms> (481)
milbemycin B

>  <Target> (481)
Antifection

>  <Form> (481)
free base

>  <URL> (481)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (481)
113507-06-5

$$$$
S3656 Piribedil.cdx
csChFnd80/10101813202D

 22 25  0  0  0  0  0  0  0  0999 V2000
   10.9049    4.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9049    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6954    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    4.6392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6939    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2351    2.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0596    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    4.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    4.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    2.8064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.8050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.7008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (482)
3366

>  <Formula> (482)
C16H18N4O2

>  <MolWeight> (482)
298.33972

>  <Item Name> (482)
Piribedil

>  <Catalog Number> (482)
S3656

>  <Synonyms> (482)
Trivastal, Trivastan

>  <Target> (482)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (482)
free base

>  <URL> (482)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (482)
3605-01-4

$$$$
S3657 Promestriene.cdx
csChFnd80/10101813202D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.6808    2.1088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4594    2.7969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9023    2.7969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6808    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594    4.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9023    4.1778    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1984    2.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0715    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6808    4.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2383    4.5865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9221    5.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0111    3.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0316    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7268    5.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0867    6.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888    0.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    0.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1663    0.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6808    3.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594    1.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9023    1.3810    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 25  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 26  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 27  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  1  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  1  0  0  0
 13 15  1  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (483)
3367

>  <Formula> (483)
C22H32O2

>  <MolWeight> (483)
328.48828

>  <Item Name> (483)
Promestriene

>  <Catalog Number> (483)
S3657

>  <Synonyms> (483)
3-propyl ethyl, 17B-methyl estradiol

>  <Target> (483)
Estrogen Receptor

>  <Form> (483)
free base

>  <URL> (483)
http://www.selleckchem.com/products/promestriene.html

>  <CAS Number> (483)
39219-28-8

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6598    2.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    2.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.0869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    4.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    0.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7737    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    4.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    6.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    8.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    9.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (484)
3368

>  <Formula> (484)
C12H11N5O

>  <MolWeight> (484)
241.24864

>  <Item Name> (484)
O6-Benzylguanine

>  <Catalog Number> (484)
S3658

>  <Synonyms> (484)
O6-BG

>  <Target> (484)
O6-alkylguanine DNA alkyltransferase

>  <Form> (484)
free base

>  <URL> (484)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (484)
19916-73-5

$$$$
S3720 Elafibranor.cdx
csChFnd80/10101813202D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2468    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (485)
3387

>  <Formula> (485)
C22H24O4S

>  <MolWeight> (485)
384.48856

>  <Item Name> (485)
Elafibranor

>  <Catalog Number> (485)
S3720

>  <Synonyms> (485)
GFT505

>  <Target> (485)
PPAR¦Á,PPAR¦Ä

>  <Form> (485)
free base

>  <URL> (485)
http://www.selleckchem.com/products/elafibranor.html

>  <CAS Number> (485)
923978-27-2

$$$$
S3721 Bilastine.cdx
csChFnd80/10101813202D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.5408    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7678    1.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    3.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    2.5864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0722    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419    3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0519    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0489    3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116    5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1579    2.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9577    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9579    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8526    1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    3.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    1.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0378    6.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5852    5.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4115    6.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192    1.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641    8.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5626    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5626    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  5  2  1  0  0  0  0
  4  3  1  0  0  0  0
 16  3  1  0  0  0  0
 22  4  1  0  0  0  0
  5  4  2  0  0  0  0
 23  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
 17  7  1  0  0  0  0
  7 15  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 12  2  0  0  0  0
 15 10  1  0  0  0  0
 14 11  1  0  0  0  0
 12 20  1  0  0  0  0
 13 19  2  0  0  0  0
 25 16  1  0  0  0  0
 21 17  1  0  0  0  0
 18 21  1  0  0  0  0
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 20 18  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 24  1  0  0  0  0
 27 28  1  0  0  0  0
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 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (486)
3388

>  <Formula> (486)
C28H37N3O3

>  <MolWeight> (486)
463.61168

>  <Item Name> (486)
Bilastine

>  <Catalog Number> (486)
S3721

>  <Synonyms> (486)
N/A

>  <Target> (486)
H1 receptor

>  <Form> (486)
free base

>  <URL> (486)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (486)
202189-78-4

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/10101813202D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3001    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1003    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5003    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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  1  7  1  0  0  0  0
 13 14  1  0  0  0  0
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 13 16  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
>  <Mol_ID> (487)
3412

>  <Formula> (487)
C14H12O2

>  <MolWeight> (487)
212.24388

>  <Item Name> (487)
4-Biphenylacetic acid

>  <Catalog Number> (487)
S3685

>  <Synonyms> (487)
BPA

>  <Target> (487)
Immunology & Inflammation related

>  <Form> (487)
free base

>  <URL> (487)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (487)
5728-52-9

$$$$
S3715 Boldenone Undecylenate.cdx
csChFnd80/10101813202D

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.7117    2.1172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4961    2.8161    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9231    2.8158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7119    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2858    2.1175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4959    4.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9231    4.2270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2612    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4959    0.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0786    2.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7119    4.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2612    4.6616    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0621    3.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0786    0.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8674    2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7012    5.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7112    6.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3589    6.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0736    8.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3690    7.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    7.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267    8.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6744    7.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    8.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    8.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    9.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    9.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2858    3.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117    3.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4961    1.4161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9231    1.4158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0691    5.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 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 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
 30 31  2  0  0  0  0
  5 32  1  1  0  0  0
  1 33  1  1  0  0  0
  2 34  1  6  0  0  0
  3 35  1  6  0  0  0
  7 36  1  1  0  0  0
M  END
>  <Mol_ID> (488)
3420

>  <Formula> (488)
C30H44O3

>  <MolWeight> (488)
452.66856

>  <Item Name> (488)
Boldenone Undecylenate

>  <Catalog Number> (488)
S3715

>  <Synonyms> (488)
N/A

>  <Target> (488)
androgen receptor

>  <Form> (488)
free base

>  <URL> (488)
http://www.selleckchem.com/products/boldenone-undecylenate.html

>  <CAS Number> (488)
13103-34-9

$$$$
Cinchonine.cdx
csChFnd80/10101813202D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    3.6373    0.0000    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
    4.8497    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8087    5.0754    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.1021    4.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2729    6.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9544    5.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    6.1861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8087    6.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    7.5861    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4485    8.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8734    8.2861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  7 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
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 11 22  1  6  0  0  0
 12 23  1  6  0  0  0
 19 24  1  1  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (489)
3437

>  <Formula> (489)
C19H22N2O

>  <MolWeight> (489)
294.39078

>  <Catalog Number> (489)
S2283

>  <Synonyms> (489)
N/A

>  <Target> (489)
Others

>  <Form> (489)
free base

>  <URL> (489)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (489)
118-10-5

$$$$
S3666 Ilaprazole.cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.8497    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    3.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1813    1.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1806    3.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    3.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248    1.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0038    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4038    2.4240    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.1042    1.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1034    3.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2046    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6038    2.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5034    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042    1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3034    3.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7034    3.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0691    5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996    5.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 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  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  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 22  1  0  0  0  0
M  END
>  <Mol_ID> (490)
3440

>  <Formula> (490)
C19H18N4O2S

>  <MolWeight> (490)
366.43682

>  <Item Name> (490)
Ilaprazole

>  <Catalog Number> (490)
S3666

>  <Synonyms> (490)
IY-81149

>  <Target> (490)
Proton pump,TOPK 

>  <Form> (490)
free base

>  <URL> (490)
http://www.selleckchem.com/products/ilaprazole.html

>  <CAS Number> (490)
172152-36-2

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/10101813202D

 38 41  0  0  0  0  0  0  0  0999 V2000
    7.3740    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1539    2.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3740    4.9040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7061    3.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1539    1.4205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7061    5.3285    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1362    5.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    4.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    2.8115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9278    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    0.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660    6.6489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7077    1.4029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4993    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    4.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5334    6.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2581    7.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4993    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673    2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4411    5.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673    1.4205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8087    6.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2448    7.4505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7281    5.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3252    8.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7438    9.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8302   10.8281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8675   11.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8811   11.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7810    9.8848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3976    2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1539    4.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 35  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 36  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 37  1  6  0  0  0
  6 13  1  0  0  0  0
  6 14  1  1  0  0  0
  7 15  1  0  0  0  0
  7 10  1  1  0  0  0
  8 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 13 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  6  0  0  0
 16 21  1  0  0  0  0
 16 38  1  1  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (491)
3463

>  <Formula> (491)
C26H45NO6S

>  <MolWeight> (491)
499.7036

>  <Item Name> (491)
Tauroursodeoxycholic Acid

>  <Catalog Number> (491)
S3654

>  <Synonyms> (491)
N/A

>  <Target> (491)
Others

>  <Form> (491)
free base

>  <URL> (491)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

>  <CAS Number> (491)
14605-22-2

$$$$
S3941 Pinocembrin.cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
    4.8497    2.1000    0.0000 O   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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   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
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  1  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
    7.2746    2.1000    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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    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
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  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
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  1  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (492)
3468

>  <Formula> (492)
C15H12O4

>  <MolWeight> (492)
256.25338

>  <Item Name> (492)
Pinocembrin

>  <Catalog Number> (492)
S3941

>  <Synonyms> (492)
Pinocembrin

>  <Target> (492)
Antifection

>  <Form> (492)
free base

>  <URL> (492)
http://www.selleckchem.com/products/pinocembrin.html

>  <CAS Number> (492)
480-39-7

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10101813202D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  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
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (493)
3472

>  <Formula> (493)
C18H22O4

>  <MolWeight> (493)
302.36488

>  <Item Name> (493)
Nordihydroguaiaretic acid

>  <Catalog Number> (493)
S3984

>  <Synonyms> (493)
N/A

>  <Target> (493)
lipoxygenase

>  <Form> (493)
free base

>  <URL> (493)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

>  <CAS Number> (493)
500-38-9

$$$$
S3944 Valproic acid.cdx
csChFnd80/10101813202D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    4.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  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
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (494)
3477

>  <Formula> (494)
C8H16O2

>  <MolWeight> (494)
144.21144

>  <Item Name> (494)
Valproic acid

>  <Catalog Number> (494)
S3944

>  <Synonyms> (494)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (494)
HDAC1

>  <Form> (494)
free base

>  <URL> (494)
http://www.selleckchem.com/products/valproic-acid.html

>  <CAS Number> (494)
99-66-1

$$$$
S3756 Methyl salicylate.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4046    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1786    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5868    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8161    2.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702    0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956    4.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    4.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  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  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (495)
3491

>  <Formula> (495)
C8H8O3

>  <MolWeight> (495)
152.14732

>  <Item Name> (495)
Methyl salicylate

>  <Catalog Number> (495)
S3756

>  <Synonyms> (495)
2-Carbomethoxyphenol, Betula oil, Gaultheria oil, Methyl 2-hydroxybenzoate, Natural wintergreen oil

>  <Target> (495)
TRPA1,TRPV1

>  <Form> (495)
free base

>  <URL> (495)
http://www.selleckchem.com/products/methyl-salicylate.html

>  <CAS Number> (495)
119-36-8

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.2770    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751    4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043    4.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    3.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    5.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    5.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (496)
3497

>  <Formula> (496)
C13H13ClN2O

>  <MolWeight> (496)
248.70812

>  <Item Name> (496)
Harmine hydrochloride

>  <Catalog Number> (496)
S3817

>  <Synonyms> (496)
telepathine hydrochloride

>  <Target> (496)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (496)
hydrochloride

>  <URL> (496)
http://www.selleckchem.com/products/harmine-hydrochloride.html

>  <CAS Number> (496)
343-27-1

$$$$
S3823 Schizandrol A.cdx
csChFnd80/10101813202D

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.9063    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9134    6.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    4.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5524    4.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9083    7.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631    6.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5222    2.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2913    4.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    3.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674    5.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5528    8.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3083    7.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    8.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    6.4598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681    2.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2863    5.0292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8290    2.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (497)
3502

>  <Formula> (497)
C24H32O7

>  <MolWeight> (497)
432.50668

>  <Item Name> (497)
Schizandrol A

>  <Catalog Number> (497)
S3823

>  <Synonyms> (497)
N/A

>  <Target> (497)
Others

>  <Form> (497)
free base

>  <URL> (497)
http://www.selleckchem.com/products/schizandrol-a.html

>  <CAS Number> (497)
7432-28-2

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10101813202D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (498)
3514

>  <Formula> (498)
C27H30O10

>  <MolWeight> (498)
514.5211

>  <Item Name> (498)
Baohuoside I

>  <Catalog Number> (498)
S3840

>  <Synonyms> (498)
Icariside II

>  <Target> (498)
ROS

>  <URL> (498)
http://www.selleckchem.com/products/baohuoside-i.html

>  <CAS Number> (498)
113558-15-9

$$$$
S3841 Eleutheroside B.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    3.6357    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4855    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (499)
3515

>  <Formula> (499)
C17H24O9

>  <MolWeight> (499)
372.36706

>  <Item Name> (499)
Eleutheroside B

>  <Catalog Number> (499)
S3841

>  <Synonyms> (499)
syringin, Syringoside, Lilacin

>  <Target> (499)
Others

>  <Form> (499)
free base

>  <URL> (499)
http://www.selleckchem.com/products/eleutheroside-b.html

>  <CAS Number> (499)
118-34-3

$$$$
S3968 Histamine.cdx
csChFnd80/10101813202D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (500)
3519

>  <Formula> (500)
C5H9N3

>  <MolWeight> (500)
111.14506

>  <Item Name> (500)
Histamine

>  <Catalog Number> (500)
S3968

>  <Synonyms> (500)
N/A

>  <Target> (500)
Histamine receptor

>  <Form> (500)
free base

>  <URL> (500)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (500)
51-45-6

$$$$
S3780 Secoisolariciresinol diglucoside.cdx
csChFnd80/10101813202D

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  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 13  8  1  1  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 16 10  1  1  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
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 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  2  0  0  0  0
 17 26  1  0  0  0  0
 18 25  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  6  0  0  0
 21 30  2  0  0  0  0
 21 31  1  0  0  0  0
 22 30  1  0  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 24 34  1  6  0  0  0
 25 35  1  0  0  0  0
 26 36  1  0  0  0  0
 27 37  1  0  0  0  0
 27 38  1  1  0  0  0
 28 39  1  1  0  0  0
 28 37  1  0  0  0  0
 30 40  1  0  0  0  0
 31 41  1  0  0  0  0
 32 42  1  0  0  0  0
 32 43  1  1  0  0  0
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 33 42  1  0  0  0  0
 37 45  1  6  0  0  0
 38 46  1  0  0  0  0
 42 47  1  6  0  0  0
 43 48  1  0  0  0  0
M  END
>  <Mol_ID> (501)
3545

>  <Formula> (501)
C32H46O16

>  <MolWeight> (501)
686.69804

>  <Item Name> (501)
Secoisolariciresinol diglucoside

>  <Catalog Number> (501)
S3780

>  <Synonyms> (501)
N/A

>  <Target> (501)
Others

>  <Form> (501)
free base

>  <URL> (501)
http://www.selleckchem.com/products/secoisolariciresinol-diglucoside.html

>  <CAS Number> (501)
148244-82-0

$$$$
S3755 Betaine.cdx
csChFnd80/10101813202D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 N   0  3  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
    0.5124    2.6124    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
    1.9124    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (502)
3556

>  <Formula> (502)
C5H11NO2

>  <MolWeight> (502)
117.14634

>  <Item Name> (502)
Betaine

>  <Catalog Number> (502)
S3755

>  <Synonyms> (502)
trimethylglycine, glycine betaine, lycine, oxyneurine

>  <Target> (502)
Others

>  <Form> (502)
inner salt

>  <URL> (502)
http://www.selleckchem.com/products/betaine.html

>  <CAS Number> (502)
107-43-7

$$$$
S3853 Perillyl alcohol.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4227    2.0938    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4299    3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8543    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8615    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0718    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2842    3.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (503)
3558

>  <Formula> (503)
C10H16O

>  <MolWeight> (503)
152.23344

>  <Item Name> (503)
Perillyl alcohol

>  <Catalog Number> (503)
S3853

>  <Synonyms> (503)
Perilla alcohol, Isocarveol

>  <Target> (503)
Others

>  <Form> (503)
free base

>  <URL> (503)
http://www.selleckchem.com/products/perillyl-alcohol.html

>  <CAS Number> (503)
536-59-4

$$$$
S3948 Spermine.cdx
csChFnd80/10101813202D

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4125    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   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
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (504)
3569

>  <Formula> (504)
C10H26N4

>  <MolWeight> (504)
202.34024

>  <Item Name> (504)
Spermine

>  <Catalog Number> (504)
S3948

>  <Synonyms> (504)
4,9-Diaza-1,12-dodecanediamine

>  <Target> (504)
Others

>  <Form> (504)
free base

>  <URL> (504)
http://www.selleckchem.com/products/spermine.html

>  <CAS Number> (504)
71-44-3

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/10101813202D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6408    3.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6415    2.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8543    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4280    4.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    8.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    7.7006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0642    6.3006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2770    5.6013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4891    6.3019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4884    7.7019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7004    8.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    7.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7019    5.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2777    4.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234   13.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114   12.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121   10.9181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249   10.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   10.9194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497   10.2200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0618   10.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2732   13.0213    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.7973   20.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6718   16.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0868   14.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5678   15.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9448   16.1469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8408   15.0742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3598   13.7619    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9829   13.5223    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5019   12.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3979   11.1373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2559   12.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2178   15.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4257   17.4592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5513   18.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355   13.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3253    9.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255    9.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0589   16.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9946   17.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200   11.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   11.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.6192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611   13.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9556   15.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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 18 19  1  0  0  0  0
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 26 60  1  0  0  0  0
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 36 62  1  1  0  0  0
 25 63  1  1  0  0  0
 28 22  1  6  0  0  0
 13 22  1  0  0  0  0
 14 11  1  1  0  0  0
  2 11  1  0  0  0  0
 35 64  1  1  0  0  0
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 13 71  1  1  0  0  0
  2 72  1  1  0  0  0
M  END
>  <Mol_ID> (505)
3576

>  <Formula> (505)
C48H82O18

>  <MolWeight> (505)
947.15388

>  <Item Name> (505)
Ginsenoside Re

>  <Catalog Number> (505)
S3811

>  <Synonyms> (505)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (505)
Others

>  <Form> (505)
free base

>  <URL> (505)
http://www.selleckchem.com/products/ginsenoside-re.html

>  <CAS Number> (505)
52286-59-6

$$$$
S3812 Monocrotaline.cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.8705    1.8541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5374    2.2873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    2.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166    1.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290    3.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5374    0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0246    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8122    3.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9040    4.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0248    4.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956    5.9788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2831    4.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6413    5.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2707    7.0705    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081    7.0747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0330    6.0498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623    8.4787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998    7.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    7.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830    8.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8789    3.2707    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 24  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  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  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 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
 13 16  1  0  0  0  0
 13 17  1  6  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  1  0  0  0
 16 21  1  6  0  0  0
 16 18  1  0  0  0  0
 18 22  1  6  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (506)
3577

>  <Formula> (506)
C16H23NO6

>  <MolWeight> (506)
325.35692

>  <Item Name> (506)
Monocrotaline

>  <Catalog Number> (506)
S3812

>  <Synonyms> (506)
Crotaline

>  <Target> (506)
Others

>  <Form> (506)
free base

>  <URL> (506)
http://www.selleckchem.com/products/monocrotaline.html

>  <CAS Number> (506)
315-22-0

$$$$
S3891 Vincamine.cdx
csChFnd80/10101813202D

 27 31  0  0  0  0  0  0  0  0999 V2000
    5.0498    4.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657    3.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4215    3.8093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6096    5.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    1.7320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7213    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690    2.5287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3382    4.8681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119    6.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9521    1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2270    1.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660    0.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    3.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2370    2.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8799    6.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7062    4.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301    6.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7286    0.2148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3539    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683    3.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6991    0.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    5.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3534    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0249    5.1045    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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 27  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  6  0  0  0
  5 13  1  1  0  0  0
  6 14  2  0  0  0  0
  6  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  6  0  0  0
  7 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 17  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (507)
3584

>  <Formula> (507)
C21H26N2O3

>  <MolWeight> (507)
354.44274

>  <Item Name> (507)
Vincamine

>  <Catalog Number> (507)
S3891

>  <Synonyms> (507)
Angiopac, Devincan, Equipur, Minorin, Novicet, Oxybral, Perval, Sostenil, Tripervan

>  <Target> (507)
Others

>  <Form> (507)
free base

>  <URL> (507)
http://www.selleckchem.com/products/vincamine.html

>  <CAS Number> (507)
1617-90-9

$$$$
S3813 Bakuchiol.cdx
csChFnd80/10101813202D

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  1  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
    8.4795    2.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042    2.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    2.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1391    4.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3289    2.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2821    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  1  0  0  0
  1 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (508)
3609

>  <Formula> (508)
C18H24O

>  <MolWeight> (508)
256.38256

>  <Item Name> (508)
Bakuchiol

>  <Catalog Number> (508)
S3813

>  <Synonyms> (508)
(S)-(+)-Bakuchiol

>  <Target> (508)
Immunology & Inflammation related

>  <Form> (508)
free base

>  <URL> (508)
http://www.selleckchem.com/products/bakuchiol.html

>  <CAS Number> (508)
10309-37-2

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/10101813202D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.0576    3.5342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2155    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    3.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    5.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2654    5.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.8968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4490    3.5006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8595    3.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8789    4.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    5.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4354    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2162    1.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7242    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7242    3.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    6.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    5.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8357    2.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849    4.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6277    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
  1  7  1  6  0  0  0
  1 15  1  0  0  0  0
  4  2  1  0  0  0  0
  2 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 20  1  1  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (509)
3613

>  <Formula> (509)
C20H24O11

>  <MolWeight> (509)
440.39796

>  <Item Name> (509)
Ginkgolide C

>  <Catalog Number> (509)
S3781

>  <Synonyms> (509)
BN-52022

>  <Target> (509)
Others

>  <Form> (509)
free base

>  <URL> (509)
http://www.selleckchem.com/products/ginkgolide-c.html

>  <CAS Number> (509)
15291-76-6

$$$$
S3791 Succinic acid.cdx
csChFnd80/10101813202D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    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
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  1  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
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (510)
3619

>  <Formula> (510)
C4H6O4

>  <MolWeight> (510)
118.08804

>  <Item Name> (510)
Succinic acid

>  <Catalog Number> (510)
S3791

>  <Synonyms> (510)
1,4-Butandioic Acid; 1,2-Ethanedicarboxylic acid; Amber acid; Asuccin; Butanedioic acid

>  <Target> (510)
Others

>  <Form> (510)
free base

>  <URL> (510)
http://www.selleckchem.com/products/succinic-acid.html

>  <CAS Number> (510)
110-15-6

$$$$
S3872 Guaiacol.cdx
csChFnd80/10101813202D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4266    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (511)
3650

>  <Formula> (511)
C7H8O2

>  <MolWeight> (511)
124.13722

>  <Item Name> (511)
Guaiacol

>  <Catalog Number> (511)
S3872

>  <Synonyms> (511)
o-methoxyphenol, 2-hydroxyanisole, O-methylcatechol

>  <Target> (511)
Others

>  <Form> (511)
free base

>  <URL> (511)
http://www.selleckchem.com/products/guaiacol.html

>  <CAS Number> (511)
90-05-1

$$$$
S3923 Ginsenoside Rg1.cdx
csChFnd80/10101813202D

 59 64  0  0  0  0  0  0  0  0999 V2000
    4.8233   10.3438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0421    9.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (512)
3657

>  <Formula> (512)
C42H72O14

>  <MolWeight> (512)
801.01268

>  <Item Name> (512)
Ginsenoside Rg1

>  <Catalog Number> (512)
S3923

>  <Synonyms> (512)
Ginsenoside A2, Panaxoside A, Panaxoside Rg1, Sanchinoside C1, Sanchinoside Rg1

>  <Target> (512)
Others

>  <Form> (512)
free base

>  <URL> (512)
http://www.selleckchem.com/products/ginsenoside-rg1.html

>  <CAS Number> (512)
22427-39-0

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (513)
3658

>  <Formula> (513)
C54H92O23

>  <MolWeight> (513)
1109.29448

>  <Item Name> (513)
Ginsenoside Rb1

>  <Catalog Number> (513)
S3924

>  <Synonyms> (513)
Gypenoside ¢ó

>  <Target> (513)
Others

>  <Form> (513)
free base

>  <URL> (513)
http://www.selleckchem.com/products/ginsenoside-rb1.html

>  <CAS Number> (513)
41753-43-9

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/10101813202D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.9139    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.1413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.1413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  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
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  6  0  0  0
  7 10  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
  8 13  1  6  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (514)
3670

>  <Formula> (514)
C6H15NO9S

>  <MolWeight> (514)
277.2496

>  <Item Name> (514)
Glucosamine sulfate

>  <Catalog Number> (514)
S3850

>  <Synonyms> (514)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (514)
Others

>  <Form> (514)
sulfate

>  <URL> (514)
http://www.selleckchem.com/products/glucosamine-sulfate.html

>  <CAS Number> (514)
29031-19-4

$$$$
S3856 Allantoin.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6434    0.7015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9245    0.1443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.0015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573    1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1597    2.3948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468    3.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2505    1.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (515)
3675

>  <Formula> (515)
C4H6N4O3

>  <MolWeight> (515)
158.11544

>  <Item Name> (515)
Allantoin

>  <Catalog Number> (515)
S3856

>  <Synonyms> (515)
Glyoxyldiureide, 5-Ureidohydantoin

>  <Target> (515)
Others

>  <Form> (515)
free base

>  <URL> (515)
http://www.selleckchem.com/products/allantoin.html

>  <CAS Number> (515)
97-59-6

$$$$
S3905 Iso-Steviol.cdx
csChFnd80/10101813202D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.3124    5.1121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5002    4.4339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1010    4.4339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3124    6.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7352    5.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002    3.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3582    4.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1010    3.0031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8896    5.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1010    5.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002    7.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7352    6.4922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3124    2.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3582    6.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8896    2.3013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6782    4.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7352    7.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500    7.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782    3.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3565    1.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464    1.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1010    1.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    3.7121    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
  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
  3 10  1  6  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  1  0  0  0
  9 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 14  1  6  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  6  0  0  0
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 16 19  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
  1 25  1  1  0  0  0
M  END
>  <Mol_ID> (516)
3689

>  <Formula> (516)
C20H30O3

>  <MolWeight> (516)
318.4504

>  <Item Name> (516)
Iso-Steviol

>  <Catalog Number> (516)
S3905

>  <Synonyms> (516)
N/A

>  <Target> (516)
Others

>  <Form> (516)
free base

>  <URL> (516)
http://www.selleckchem.com/products/iso-steviol.html

>  <CAS Number> (516)
27975-19-5

$$$$
S3876 Indigo.cdx
csChFnd80/10101813202D

 20 23  0  0  0  0  0  0  0  0999 V2000
    5.9793    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022    3.5967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1336    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3695    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1336    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5585    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5585    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 12  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (517)
3700

>  <Formula> (517)
C16H10N2O2

>  <MolWeight> (517)
262.2628

>  <Item Name> (517)
Indigo

>  <Catalog Number> (517)
S3876

>  <Synonyms> (517)
Indigotin

>  <Target> (517)
Others

>  <Form> (517)
free base

>  <URL> (517)
http://www.selleckchem.com/products/indigo.html

>  <CAS Number> (517)
482-89-3

$$$$
S4775 Cortodoxone.cdx
csChFnd80/10101813202D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.3181    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1062    2.1177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3181    4.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6509    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1201    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6509    4.6391    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0784    4.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495    3.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    2.1177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8756    4.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    5.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0347    4.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    2.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    3.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5873    6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3861    7.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4185    4.9456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1062    3.5177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3181    1.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3181    5.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
  5 25  1  6  0  0  0
  2 26  1  1  0  0  0
  1 27  1  6  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (518)
3740

>  <Formula> (518)
C21H30O4

>  <MolWeight> (518)
346.4605

>  <Item Name> (518)
Cortodoxone

>  <Catalog Number> (518)
S4775

>  <Synonyms> (518)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (518)
Glucocorticoid Receptor

>  <Form> (518)
free base

>  <URL> (518)
http://www.selleckchem.com/products/cortodoxone.html

>  <CAS Number> (518)
152-58-9

$$$$
S3949 N-Sulfo-glucosamine sodium salt.cdx
csChFnd80/10101813202D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.5110    2.5856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1112    2.5726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1998    3.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2110    1.3732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4112    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3738    6.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5998    3.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146    1.3732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0888    4.9974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4885    5.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643    6.2452    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
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
 10  7  1  6  0  0  0
  9 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (519)
3777

>  <Formula> (519)
C6H12NNaO8S

>  <MolWeight> (519)
281.21615

>  <Item Name> (519)
N-Sulfo-glucosamine sodium salt

>  <Catalog Number> (519)
S3949

>  <Synonyms> (519)
N-sulfoglucosamine sodium salt, N-Sulfo-D-glucosamine sodium salt

>  <Target> (519)
Others

>  <Form> (519)
sodium salt

>  <URL> (519)
http://www.selleckchem.com/products/n-sulfo-glucosamine-sodium-salt.html

>  <CAS Number> (519)
38899-05-7

$$$$
S3980 Pyridoxine.cdx
csChFnd80/10101813202D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6436    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    4.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (520)
3799

>  <Formula> (520)
C8H11NO3

>  <MolWeight> (520)
169.17784

>  <Item Name> (520)
Pyridoxine

>  <Catalog Number> (520)
S3980

>  <Synonyms> (520)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (520)
Others

>  <Form> (520)
free base

>  <URL> (520)
http://www.selleckchem.com/products/pyridoxine.html

>  <CAS Number> (520)
65-23-6

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/10101813202D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.3817    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    1.6481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    4.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4148    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6230    3.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    5.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    7.9359    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4106    8.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    7.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8271    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9817    2.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    2.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    0.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    3.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    4.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    1.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    5.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0395    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9942    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700    2.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    0.2466    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  1  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  4  1  0  0  0  0
  1  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 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  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
 12 31  2  0  0  0  0
 12 32  1  0  0  0  0
 16 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 28  2  0  0  0  0
M  END
>  <Mol_ID> (521)
3800

>  <Formula> (521)
C20H22N4O10S

>  <MolWeight> (521)
510.47448

>  <Item Name> (521)
Cefuroxime axetil

>  <Catalog Number> (521)
S4813

>  <Synonyms> (521)
N/A

>  <Target> (521)
Antifection

>  <Form> (521)
free base

>  <URL> (521)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (521)
64544-07-6

$$$$
S4821 Glycine.cdx
csChFnd80/10101813202D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4255    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    2.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (522)
3801

>  <Formula> (522)
C2H5NO2

>  <MolWeight> (522)
75.0666

>  <Item Name> (522)
Glycine

>  <Catalog Number> (522)
S4821

>  <Synonyms> (522)
 2-Aminoacetic acid, Aminoacetic acid, Glycocoll

>  <Target> (522)
Others

>  <Form> (522)
free base

>  <URL> (522)
http://www.selleckchem.com/products/glycine.html

>  <CAS Number> (522)
56-40-6

$$$$
S4826 Aluminium hydroxide.cdx
csChFnd80/10101813202D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.2124    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    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
M  END
>  <Mol_ID> (523)
3802

>  <Formula> (523)
AlH3O3

>  <MolWeight> (523)
78.003558

>  <Item Name> (523)
Aluminium hydroxide

>  <Catalog Number> (523)
S4826

>  <Synonyms> (523)
Aluminic hydroxide, Aluminum trihydroxide, Aluminium(III) hydroxide

>  <Target> (523)
Others

>  <Form> (523)
free base

>  <URL> (523)
http://www.selleckchem.com/products/aluminium-hydroxide.html

>  <CAS Number> (523)
21645-51-2

$$$$
S3992 D-(+)-Trehalose dihydrate.cdx
csChFnd80/10101813202D

 25 24  0  0  0  0  0  0  0  0999 V2000
    8.1650    4.8521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8836    4.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    4.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1650    6.2929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6648    3.5308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5740    4.8976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3837    6.9820    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9520    7.0219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    2.1243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5740    6.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8153    4.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    8.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    3.5308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4462    1.3897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8836    1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8153    6.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8746    5.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    2.1243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0145    4.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0145    1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    3.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   12.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  6  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  1  0  0  0
  7 13  1  1  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  6  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  1  0  0  0
 15 21  1  1  0  0  0
 15 19  1  0  0  0  0
 19 22  1  6  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (524)
3818

>  <Formula> (524)
C12H26O13

>  <MolWeight> (524)
378.32704

>  <Item Name> (524)
D-(+)-Trehalose dihydrate

>  <Catalog Number> (524)
S3992

>  <Synonyms> (524)
N/A

>  <Target> (524)
Others

>  <Form> (524)
dihydrate

>  <URL> (524)
http://www.selleckchem.com/products/d-trehalose-dihyd.html

>  <CAS Number> (524)
6138-23-4

$$$$
S3998 Lipoic acid.cdx
csChFnd80/10101813202D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    1.5306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.0999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0694    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0653    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4902    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  3 10  1  1  0  0  0
M  END
>  <Mol_ID> (525)
3824

>  <Formula> (525)
C8H14O2S2

>  <MolWeight> (525)
206.32556

>  <Item Name> (525)
(+)-¦Á-Lipoic acid

>  <Catalog Number> (525)
S3998

>  <Synonyms> (525)
(R)-(+)-¦Á-Lipoic acid, ¦Á-Lipoic acid, Alpha-Lipoic acid

>  <Target> (525)
Others

>  <Form> (525)
free base

>  <URL> (525)
http://www.selleckchem.com/products/alpha-lipoic-acid.html

>  <CAS Number> (525)
1200-22-2

$$$$
S4817 Atenolol.cdx
csChFnd80/10101813202D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9204    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    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
  1  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
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (526)
3827

>  <Formula> (526)
C14H22N2O3

>  <MolWeight> (526)
266.33608

>  <Item Name> (526)
Atenolol

>  <Catalog Number> (526)
S4817

>  <Synonyms> (526)
Tenormin, Normiten, Blokium

>  <Target> (526)
¦Â1 receptor,¦Â2 receptor

>  <Form> (526)
free base

>  <URL> (526)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (526)
29122-68-7

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (527)
3829

>  <Formula> (527)
C36H35BrN2O6

>  <MolWeight> (527)
671.5769

>  <Item Name> (527)
Bedaquiline fumarate

>  <Catalog Number> (527)
S4854

>  <Synonyms> (527)
TMC-207

>  <Target> (527)
Antifection

>  <Form> (527)
fumarate

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

>  <CAS Number> (527)
845533-86-0

$$$$
S4927 Cyclen.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (528)
3830

>  <Formula> (528)
C8H20N4

>  <MolWeight> (528)
172.2712

>  <Item Name> (528)
Cyclen

>  <Catalog Number> (528)
S4927

>  <Synonyms> (528)
1,4,7,10-tetraazacyclododecane

>  <Target> (528)
Others

>  <Form> (528)
free base

>  <URL> (528)
http://www.selleckchem.com/products/cyclen.html

>  <CAS Number> (528)
294-90-6

$$$$
S4928 Brivaracetam.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (529)
3831

>  <Formula> (529)
C11H20N2O2

>  <MolWeight> (529)
212.2887

>  <Item Name> (529)
Brivaracetam

>  <Catalog Number> (529)
S4928

>  <Synonyms> (529)
UCB34714

>  <Target> (529)
Others

>  <Form> (529)
free base

>  <URL> (529)
http://www.selleckchem.com/products/brivaracetam.html

>  <CAS Number> (529)
357336-20-0

$$$$
S4930 Cetilistat.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (530)
3832

>  <Formula> (530)
C25H39NO3

>  <MolWeight> (530)
401.58206

>  <Item Name> (530)
Cetilistat

>  <Catalog Number> (530)
S4930

>  <Synonyms> (530)
ATL962

>  <Target> (530)
pancreatic lipase

>  <Form> (530)
free base

>  <URL> (530)
http://www.selleckchem.com/products/cetilistat.html

>  <CAS Number> (530)
282526-98-1

$$$$
S5007 Delamanid.cdx
csChFnd80/10101813202D

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   24.3429    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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 35 36  2  0  0  0  0
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M  END
>  <Mol_ID> (531)
3834

>  <Formula> (531)
C25H25F3N4O6

>  <MolWeight> (531)
534.4844096

>  <Item Name> (531)
Delamanid

>  <Catalog Number> (531)
S5007

>  <Synonyms> (531)
OPC-67683

>  <Target> (531)
Others

>  <Form> (531)
free base

>  <URL> (531)
http://www.selleckchem.com/products/delamanid.html

>  <CAS Number> (531)
681492-22-8

$$$$
S5015 Simeprevir.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (532)
3835

>  <Formula> (532)
C38H47N5O7S2

>  <MolWeight> (532)
749.93908

>  <Item Name> (532)
TMC-435, TMC-435350

>  <Catalog Number> (532)
S5015

>  <Synonyms> (532)
TMC-435, TMC-435350

>  <Target> (532)
HCV NS3/4A protease

>  <Form> (532)
free base

>  <URL> (532)
http://www.selleckchem.com/products/simeprevir.html

>  <CAS Number> (532)
923604-59-5

$$$$
S3074 Chlortalidone.cdx
csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.7581    3.5690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (533)
3846

>  <Formula> (533)
C14H11ClN2O4S

>  <MolWeight> (533)
338.76614

>  <Item Name> (533)
Chlorthalidone

>  <Catalog Number> (533)
S3074

>  <Synonyms> (533)
Chlortalidone

>  <Target> (533)
Others

>  <Form> (533)
free base

>  <URL> (533)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (533)
77-36-1

$$$$
S5023 Nadolol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (534)
3855

>  <Formula> (534)
C17H27NO4

>  <MolWeight> (534)
309.40058

>  <Item Name> (534)
Nadolol

>  <Catalog Number> (534)
S5023

>  <Synonyms> (534)
Corgard, Solgol, Anabet

>  <Target> (534)
Androgen Receptor

>  <Form> (534)
free base

>  <URL> (534)
http://selleckchem.com/products/nadolol.html

>  <CAS Number> (534)
42200-33-9

$$$$
S5025 Efinaconazole.cdx
csChFnd80/10101813202D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    6.3145    5.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    3.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4435    4.6187    0.0000 F   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
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 11 12  1  0  0  0  0
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 13  1  1  0  0  0  0
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 20 23  1  0  0  0  0
 18 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  6  0  0  0
M  END
>  <Mol_ID> (535)
3856

>  <Formula> (535)
C18H22F2N4O

>  <MolWeight> (535)
348.3902864

>  <Item Name> (535)
Efinaconazole

>  <Catalog Number> (535)
S5025

>  <Synonyms> (535)
KP-103

>  <Target> (535)
Anti-infection

>  <Form> (535)
free base

>  <URL> (535)
http://selleckchem.com/products/efinaconazole.html

>  <CAS Number> (535)
164650-44-6

$$$$
S5070 Mupirocin calcium.cdx
csChFnd80/10101813202D

 77 78  0  0  0  0  0  0  0  0999 V2000
   10.6352   18.8763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2313   19.0881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1219   20.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6352   17.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7778   17.7738    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8567   16.7713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4030   17.5093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6942   16.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0957   17.4767    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8598   15.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9446   16.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4865   18.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2613   16.7910    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0957   18.8767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0786   14.6717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4738   17.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6849    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 40  2  0  0  0  0
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M  END
>  <Mol_ID> (536)
3865

>  <Formula> (536)
C52H90CaO20

>  <MolWeight> (536)
1075.337

>  <Item Name> (536)
Mupirocin calcium

>  <Catalog Number> (536)
S5070

>  <Synonyms> (536)
pseudomonic acid A

>  <Target> (536)
Anti-infection

>  <Form> (536)
calcium salt dihydrate

>  <URL> (536)
http://selleckchem.com/products/mupirocin-calcium.html

>  <CAS Number> (536)
115074-43-6

$$$$
S5206 Benzylpenicillin potassiuM.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.7096    2.7775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7096    4.1774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0172    2.3289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3648    2.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3663    4.1778    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0489    4.5954    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8924    3.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4260    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (537)
3879

>  <Formula> (537)
C16H17KN2O4S

>  <MolWeight> (537)
372.48048

>  <Item Name> (537)
Benzylpenicillin potassium

>  <Catalog Number> (537)
S5206

>  <Synonyms> (537)
Penicillin G potassium

>  <Target> (537)
Anti-infection

>  <Form> (537)
potassium salt

>  <URL> (537)
http://selleckchem.com/products/benzylpenicillin-potassium.html

>  <CAS Number> (537)
113-98-4

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/10101813202D

 24 25  0  0  0  0  0  0  0  0999 V2000
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A   23
?1.5H2O?
M  END
>  <Mol_ID> (538)
3881

>  <Formula> (538)
C15H17FN4O3R

>  <MolWeight> (538)
320.3188832

>  <Item Name> (538)
Enoxacin Sesquihydrate

>  <Catalog Number> (538)
S5209

>  <Synonyms> (538)
Enoxacin hydrate

>  <Target> (538)
Anti-infection

>  <Form> (538)
sesquihydrate

>  <URL> (538)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

>  <CAS Number> (538)
84294-96-2

$$$$
S4877 Eperisone hydrochloride.cdx
csChFnd80/10101813202D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8592    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (539)
3891

>  <Formula> (539)
C17H26ClNO

>  <MolWeight> (539)
295.84744

>  <Item Name> (539)
Eperisone hydrochloride

>  <Catalog Number> (539)
S4877

>  <Synonyms> (539)
N/A

>  <Target> (539)
Others

>  <Form> (539)
hydrochloride 

>  <URL> (539)
http://selleckchem.com/products/eperisone-hydrochloride.html

>  <CAS Number> (539)
56839-43-1

$$$$
S4991 Valpromide.cdx
csChFnd80/10101813202D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.7912    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1953    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8990    1.2122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (540)
3894

>  <Formula> (540)
C8H17NO

>  <MolWeight> (540)
143.22668

>  <Item Name> (540)
Valpromide

>  <Catalog Number> (540)
S4991

>  <Synonyms> (540)
Depamide, Dipropylacetamide, 2-propylpentanamide

>  <Target> (540)
Others

>  <Form> (540)
free base

>  <URL> (540)
http://selleckchem.com/products/valpromide.html

>  <CAS Number> (540)
2430-27-5

$$$$
S5052 Granisetron.cdx
csChFnd80/10101813202D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.0219    3.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
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 14  8  1  6  0  0  0
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 21 14  1  0  0  0  0
 20 22  1  1  0  0  0
 16 22  1  1  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (541)
3899

>  <Formula> (541)
C18H24N4O

>  <MolWeight> (541)
312.40936

>  <Item Name> (541)
Granisetron

>  <Catalog Number> (541)
S5052

>  <Synonyms> (541)
Sancuso, Kevatril, Granisetronum, Sustol

>  <Target> (541)
5-HT Receptor

>  <URL> (541)
http://selleckchem.com/products/granisetron.html

>  <CAS Number> (541)
109889-09-0

$$$$
S5075 Acotiamide.cdx
csChFnd80/10101813202D

 31 32  0  0  0  0  0  0  0  0999 V2000
   10.1260    3.2826    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2690    4.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 14 20  1  0  0  0  0
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  9 10  1  0  0  0  0
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 23 24  1  0  0  0  0
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 29 30  1  0  0  0  0
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  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (542)
3904

>  <Formula> (542)
C21H30N4O5S

>  <MolWeight> (542)
450.5517

>  <Item Name> (542)
Acotiamide

>  <Catalog Number> (542)
S5075

>  <Synonyms> (542)
Acofide

>  <Target> (542)
AChR

>  <Form> (542)
free base

>  <URL> (542)
http://selleckchem.com/products/acotiamide.html

>  <CAS Number> (542)
185106-16-5

$$$$
S5079 Sitagliptin.cdx
csChFnd80/10101813202D

 28 30  0  0  0  0  0  0  0  0999 V2000
   13.4915    2.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1394    3.0969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3137    3.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9335    5.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
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 10  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 10  1  0  0  0  0
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 27 16  1  0  0  0  0
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 21 28  1  1  0  0  0
M  END
>  <Mol_ID> (543)
3906

>  <Formula> (543)
C16H15F6N5O

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407.3136192

>  <Item Name> (543)
Sitagliptin

>  <Catalog Number> (543)
S5079

>  <Synonyms> (543)
MK-0431

>  <Target> (543)
DPP-4

>  <Form> (543)
free base

>  <URL> (543)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (543)
486460-32-6

$$$$
S4836 Nilutamide.cdx
csChFnd80/10101813202D

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3925

>  <Formula> (544)
C12H10F3N3O4

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317.2207096

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Nilutamide

>  <Catalog Number> (544)
S4836

>  <Synonyms> (544)
RU23908

>  <Target> (544)
Androgen Receptor

>  <URL> (544)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (544)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/10101813202D

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3926

>  <Formula> (545)
C14H18N2O

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Ibudilast

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S4837

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KC-404, AV411, MN166

>  <Target> (545)
PDE

>  <Form> (545)
free base

>  <URL> (545)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (545)
50847-11-5

$$$$
S4848 Dalbavancin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (546)
3927

>  <Formula> (546)
C88H100Cl2N10O28

>  <MolWeight> (546)
1816.6918

>  <Item Name> (546)
Dalbavancin

>  <Catalog Number> (546)
S4848

>  <Synonyms> (546)
zeven

>  <Target> (546)
Anti-infection

>  <Form> (546)
free base

>  <URL> (546)
http://selleckchem.com/products/dalbavancin.html

>  <CAS Number> (546)
171500-79-1

$$$$
S4851 Tafluprost.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (547)
3928

>  <Formula> (547)
C25H34F2O5

>  <MolWeight> (547)
452.5312664

>  <Item Name> (547)
Tafluprost

>  <Catalog Number> (547)
S4851

>  <Synonyms> (547)
AFP-168

>  <Target> (547)
Others

>  <URL> (547)
http://selleckchem.com/products/tafluprost.html

>  <CAS Number> (547)
209860-87-7

$$$$
S4852 Gadopentetate Dimeglumine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (548)
3929

>  <Formula> (548)
C28H54GdN5O20

>  <MolWeight> (548)
937.99986

>  <Item Name> (548)
Gadopentetate Dimeglumine

>  <Catalog Number> (548)
S4852

>  <Synonyms> (548)
Gadopentetic acid dimeglumine, Gd-DTPA, Meglumine gadopentetate

>  <Target> (548)
Others

>  <Form> (548)
dimeglumine salt

>  <URL> (548)
http://selleckchem.com/products/gadopentetate-dimeglumine.html

>  <CAS Number> (548)
86050-77-3

$$$$
S4931 Propiverine hydrochloride.cdx
csChFnd80/10101813202D

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    9.7454    6.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6726    3.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1099    1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6726    1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5099    1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    3.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517    1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    1.8658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5481    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (549)
3931

>  <Formula> (549)
C23H30ClNO3

>  <MolWeight> (549)
403.9422

>  <Item Name> (549)
Propiverine hydrochloride

>  <Catalog Number> (549)
S4931

>  <Synonyms> (549)
N/A

>  <Target> (549)
Others

>  <URL> (549)
http://selleckchem.com/products/propiverine-hydrochloride.html

>  <CAS Number> (549)
54556-98-8

$$$$
S5006 Teprenone.cdx
csChFnd80/10101813202D

 24 23  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   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
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  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
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (550)
3933

>  <Formula> (550)
C23H38O

>  <MolWeight> (550)
330.54722

>  <Item Name> (550)
Teprenone

>  <Catalog Number> (550)
S5006

>  <Synonyms> (550)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (550)
Others

>  <URL> (550)
http://selleckchem.com/products/teprenone.html

>  <CAS Number> (550)
6809-52-5

$$$$
S5012 Octenidine Dihydrochloride.cdx
csChFnd80/10101813202D

 42 41  0  0  0  0  0  0  0  0999 V2000
   12.6204    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4079    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1955    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0452    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2577    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9830    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4701    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7706    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6825    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.8950    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.3820    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.3820    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   34.4442    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4442    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 16 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (551)
3934

>  <Formula> (551)
C36H64Cl2N4

>  <MolWeight> (551)
623.82616

>  <Item Name> (551)
Octenidine Dihydrochloride

>  <Catalog Number> (551)
S5012

>  <Synonyms> (551)
N/A

>  <Target> (551)
Anti-infection

>  <URL> (551)
http://selleckchem.com/products/octenidine-ihydrochloride.html

>  <CAS Number> (551)
70775-75-6

$$$$
S5013 Ioversol.cdx
csChFnd80/10101813202D

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    4.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    2.0939    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0699    4.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    4.8246    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2572    2.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    0.6939    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (552)
3935

>  <Formula> (552)
C18H24I3N3O9

>  <MolWeight> (552)
807.11127

>  <Item Name> (552)
Ioversol

>  <Catalog Number> (552)
S5013

>  <Synonyms> (552)
N/A

>  <Target> (552)
Others

>  <URL> (552)
http://selleckchem.com/products/lversol.html

>  <CAS Number> (552)
87771-40-2

$$$$
S5014 Crisaborole (AN2728).cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    1.2125    1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
  5  9  2  0  0  0  0
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 15 18  1  0  0  0  0
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M  END
>  <Mol_ID> (553)
3936

>  <Formula> (553)
C14H10BNO3

>  <MolWeight> (553)
251.0451

>  <Item Name> (553)
Crisaborole (AN2728)

>  <Catalog Number> (553)
S5014

>  <Synonyms> (553)
N/A

>  <Target> (553)
PDE

>  <Form> (553)
free base

>  <URL> (553)
http://selleckchem.com/products/crisaborole-an2728.html

>  <CAS Number> (553)
906673-24-3

$$$$
DIPRIVAN (propofol).cdx
csChFnd80/10101813202D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (554)
3940

>  <Formula> (554)
C12H18O

>  <MolWeight> (554)
178.27072

>  <Item Name> (554)
Propofol

>  <Catalog Number> (554)
S2023

>  <Synonyms> (554)
N/A

>  <Target> (554)
GABA Receptor

>  <URL> (554)
http://selleckchem.com/products/propofol-diprivan.html

>  <CAS Number> (554)
2078-54-8

$$$$
S4849 Levocetirizine Dihydrochloride.cdx
csChFnd80/10101813202D

 29 29  0  0  0  0  0  0  0  0999 V2000
   22.1836    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9712    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1836    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3960    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7587    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5463    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3339    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1214    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1214    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6966    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6966    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4841    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.2717    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0593    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0593    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  6  7  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  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
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 15 20  2  0  0  0  0
 14 15  1  6  0  0  0
 21 22  1  0  0  0  0
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 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
 24 27  1  0  0  0  0
 14 21  1  0  0  0  0
 14 11  1  0  0  0  0
  7  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (555)
3941

>  <Formula> (555)
C21H27Cl3N2O3

>  <MolWeight> (555)
461.80968

>  <Item Name> (555)
Levocetirizine Dihydrochloride

>  <Catalog Number> (555)
S4849

>  <Synonyms> (555)
Xyzal Dihydrochloride, (-)-Cetirizine Dihydrochloride

>  <Target> (555)
Histamine Receptor

>  <Form> (555)
dihydrochloride 

>  <URL> (555)
http://selleckchem.com/products/levocetirizine-dihydrochloride.html

>  <CAS Number> (555)
130018-87-0

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/10101813202D

 43 47  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6629    3.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2896    4.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4968    3.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7761    4.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7129    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0129    1.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6435    2.1512    0.0000 S   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
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  6  1  1  0  0  0  0
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 17 26  1  0  0  0  0
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 30 31  2  0  0  0  0
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 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
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 31 37  1  0  0  0  0
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 39 40  2  0  0  0  0
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M  END
>  <Mol_ID> (556)
3967

>  <Formula> (556)
C34H30N2O6S

>  <MolWeight> (556)
594.6768

>  <Item Name> (556)
Pyrantel Pamoate 

>  <Catalog Number> (556)
S2501

>  <Synonyms> (556)
Pyrantel Embonate

>  <Target> (556)
Anti-infection

>  <Form> (556)
salt

>  <URL> (556)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (556)
22204-24-6

$$$$
S4819 Saccharin.cdx
csChFnd80/10101813202D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4266    1.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    1.2832    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457    3.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    3.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721    2.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9538    0.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898    4.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    3.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5  7  1  0  0  0  0
  6 12  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (557)
3972

>  <Formula> (557)
C7H5NO3S

>  <MolWeight> (557)
183.1845

>  <Item Name> (557)
Saccharin

>  <Catalog Number> (557)
S4819

>  <Synonyms> (557)
Benzoic sulfimide, O-Sulfobenzimide, O-Benzoic sulfimide, Saccharimide

>  <Target> (557)
Others

>  <Form> (557)
free base

>  <URL> (557)
http://selleckchem.com/products/saccharin.html

>  <CAS Number> (557)
81-07-2

$$$$
S4830 Maltose.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.4892    4.2666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2204    2.1836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.3380    6.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3092    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  6  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  1  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  1  0  0  0
 16 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5 23  1  1  0  0  0
 11 24  1  1  0  0  0
M  END
>  <Mol_ID> (558)
3979

>  <Formula> (558)
C12H22O11

>  <MolWeight> (558)
342.29648

>  <Item Name> (558)
Maltose

>  <Catalog Number> (558)
S4830

>  <Synonyms> (558)
maltobiose, malt sugar, Beta-maltose, D-Maltose

>  <Target> (558)
Others

>  <Form> (558)
free base

>  <URL> (558)
http://selleckchem.com/products/maltose.html

>  <CAS Number> (558)
 69-79-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/10101813202D

 24 25  0  0  0  0  0  0  0  0999 V2000
   16.9679    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9679    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7533    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2878    2.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7582    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3144    0.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1236    1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5416    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3348    2.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3414    0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    2.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1395    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9218    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    2.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  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 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (559)
3980

>  <Formula> (559)
C19H30O5

>  <MolWeight> (559)
338.4385

>  <Item Name> (559)
Piperonyl butoxide

>  <Catalog Number> (559)
S4831

>  <Synonyms> (559)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (559)
Others

>  <URL> (559)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (559)
51-03-6

$$$$
S4835 Aceclofenac.cdx
csChFnd80/10101813202D

 23 24  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
    6.0622    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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
    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    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
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    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  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (560)
3982

>  <Formula> (560)
C16H13Cl2NO4

>  <MolWeight> (560)
354.18472

>  <Item Name> (560)
Aceclofenac

>  <Catalog Number> (560)
S4835

>  <Synonyms> (560)
Preservex, Airtal

>  <Target> (560)
Immunology & Inflammation related

>  <Form> (560)
free base

>  <URL> (560)
http://selleckchem.com/products/aceclofenac.html

>  <CAS Number> (560)
89796-99-6

$$$$
S4839 Mosapride.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6390    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    4.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4041    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2758    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032    4.2041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0647    6.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4883    2.0999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4883    3.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9127    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7003    5.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    3.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1255    5.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3378    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254    8.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3378    7.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5502    8.4008    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (561)
3983

>  <Formula> (561)
C21H25ClFN3O3

>  <MolWeight> (561)
421.8929032

>  <Item Name> (561)
Mosapride

>  <Catalog Number> (561)
S4839

>  <Synonyms> (561)
N/A

>  <Target> (561)
5-HT Receptor

>  <URL> (561)
http://selleckchem.com/products/mosapride.html

>  <CAS Number> (561)
112885-41-3

$$$$
S4975 Fimasartan.cdx
csChFnd80/10101813202D

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.7115    3.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5013    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5013    5.5953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7104    6.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9203    5.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9215    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2890    6.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0768    5.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0768    4.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    3.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1330    6.2950    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
  1  6  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  2  0  0  0  0
  5  6  2  0  0  0  0
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  6 36  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 24 20  2  0  0  0  0
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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (562)
4018

>  <Formula> (562)
C27H31N7OS

>  <MolWeight> (562)
501.64634

>  <Item Name> (562)
Fimasartan

>  <Catalog Number> (562)
S4975

>  <Synonyms> (562)
Kanarb

>  <Target> (562)
RAAS

>  <Form> (562)
free base

>  <URL> (562)
http://selleckchem.com/products/fimasartan.html

>  <CAS Number> (562)
247257-48-3

$$$$
QUTENZA (capsaicin).cdx
csChFnd80/10101813202D

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2915    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9288    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2034    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    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
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (563)
4033

>  <Formula> (563)
C18H27NO3

>  <MolWeight> (563)
305.41188

>  <Item Name> (563)
Capsaicin

>  <Catalog Number> (563)
S1990

>  <Synonyms> (563)
Qutenza, Vanilloid

>  <Target> (563)
Others

>  <URL> (563)
http://www.selleckchem.com/products/Capsaicin(Qutenza).html

>  <CAS Number> (563)
404-86-4

$$$$
S5073 Donepezil.cdx
csChFnd80/10101813202D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8357    6.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    5.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1994    7.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265    7.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0056    6.0697    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6461    8.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    5.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5055    4.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2030    3.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2007    1.2184    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
  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  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (564)
4054

>  <Formula> (564)
C24H29NO3

>  <MolWeight> (564)
379.49196

>  <Item Name> (564)
Donepezil

>  <Catalog Number> (564)
S5073

>  <Synonyms> (564)
Aricept, Donepezilo

>  <Target> (564)
AChR

>  <Form> (564)
free base

>  <URL> (564)
http://selleckchem.com/products/donepezil.html

>  <CAS Number> (564)
120014-06-4

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/10101813202D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (565)
4116

>  <Formula> (565)
C17H21N6O4P

>  <MolWeight> (565)
404.360201

>  <Item Name> (565)
Ruxolitinib Phosphate

>  <Catalog Number> (565)
S5243

>  <Synonyms> (565)
INCB018424, INC424

>  <Target> (565)
JAK

>  <Form> (565)
phosphate 

>  <URL> (565)
http://selleckchem.com/products/ruxolitinib-phosphate.html

>  <CAS Number> (565)
1092939-17-7

$$$$
S5253 Cisapride.cdx
csChFnd80/10101813202D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  1  0  0  0
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 17 20  1  0  0  0  0
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M  END
>  <Mol_ID> (566)
4118

>  <Formula> (566)
C23H29ClFN3O4

>  <MolWeight> (566)
465.9454632

>  <Item Name> (566)
Cisapride

>  <Catalog Number> (566)
S5253

>  <Synonyms> (566)
Kaudalit, Kinestase, Prepulsid, Presid, Pridesia, Propulsid

>  <Target> (566)
5-HT Receptor

>  <URL> (566)
http://selleckchem.com/products/cisapride.html

>  <CAS Number> (566)
81098-60-4

$$$$
S5314 HTHQ.cdx
csChFnd80/10101813202D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (567)
4123

>  <Formula> (567)
C15H24O2

>  <MolWeight> (567)
236.34986

>  <Item Name> (567)
HTHQ(1-O-Hexyl-2,3,5-trimethylhydroquinone)

>  <Catalog Number> (567)
S5314

>  <Synonyms> (567)
N/A

>  <Target> (567)
Others

>  <URL> (567)
http://selleckchem.com/products/hthq-1-o-hexyl-2-3-5-trimethylhydroquinone.html

>  <CAS Number> (567)
148081-72-5

$$$$
S5316 NU2058.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    3.6325    2.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  2  0  0  0  0
  2  6  1  0  0  0  0
  5  2  2  0  0  0  0
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  8  3  1  0  0  0  0
  7  4  1  0  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
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 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
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M  END
>  <Mol_ID> (568)
4124

>  <Formula> (568)
C12H17N5O

>  <MolWeight> (568)
247.29628

>  <Item Name> (568)
NU2058

>  <Catalog Number> (568)
S5316

>  <Synonyms> (568)
O(6)-Cyclohexylmethylguanine

>  <Target> (568)
CDK

>  <Form> (568)
free base

>  <URL> (568)
http://selleckchem.com/products/nu2058.html

>  <CAS Number> (568)
161058-83-9

$$$$
S5233 Fenretinide.cdx
csChFnd80/10101813202D

 29 30  0  0  0  0  0  0  0  0999 V2000
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   15.7450    2.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9665    4.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1752    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3933    4.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (569)
4131

>  <Formula> (569)
C26H33NO2

>  <MolWeight> (569)
391.54572

>  <Item Name> (569)
Fenretinide

>  <Catalog Number> (569)
S5233

>  <Synonyms> (569)
4-hydroxy(phenyl)retinamide, 4-HPR, MK-4016

>  <Target> (569)
Others

>  <Form> (569)
free base

>  <URL> (569)
http://selleckchem.com/products/fenretinide.html

>  <CAS Number> (569)
65646-68-6

$$$$
S5246 Entecavir.cdx
csChFnd80/10101813202D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9772    5.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7637    3.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  3  1  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
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 10 15  1  0  0  0  0
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 11 15  2  0  0  0  0
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 11  6  1  0  0  0  0
M  END
>  <Mol_ID> (570)
4132

>  <Formula> (570)
C12H15N5O3

>  <MolWeight> (570)
277.2792

>  <Item Name> (570)
Entecavir

>  <Catalog Number> (570)
S5246

>  <Synonyms> (570)
N/A

>  <Target> (570)
Reverse Transcriptase

>  <Form> (570)
free base

>  <URL> (570)
http://selleckchem.com/products/entecavir.html

>  <CAS Number> (570)
142217-69-4

$$$$
S5492 Econazole.cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    3.7835    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.6992    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6992    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (571)
4175

>  <Formula> (571)
C18H15Cl3N2O

>  <MolWeight> (571)
381.6835

>  <Item Name> (571)
Econazole

>  <Catalog Number> (571)
S5492

>  <Synonyms> (571)
N/A

>  <Target> (571)
Anti-infection

>  <Form> (571)
free base

>  <URL> (571)
http://selleckchem.com/products/econazole.html

>  <CAS Number> (571)
27220-47-9

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/10101813202D

 68 74  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (572)
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>  <MolWeight> (572)
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>  <Catalog Number> (572)
S3785

>  <Synonyms> (572)
Sanchinoside R1

>  <Target> (572)
Others

>  <Form> (572)
free base

>  <URL> (572)
http://selleckchem.com/products/notoginsenoside-r1.html

>  <CAS Number> (572)
80418-24-2

$$$$
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csChFnd80/10101813202D

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>  <Mol_ID> (573)
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>  <Synonyms> (573)
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>  <Target> (573)
Others

>  <Form> (573)
free base

>  <URL> (573)
http://selleckchem.com/products/stevioside.html

>  <CAS Number> (573)
57817-89-7

$$$$
S5325 Nitisinone.cdx
csChFnd80/10101813202D

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4225

>  <Formula> (574)
C14H10F3NO5

>  <MolWeight> (574)
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>  <Item Name> (574)
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S5325

>  <Synonyms> (574)
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>  <Target> (574)
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>  <Form> (574)
free base

>  <URL> (574)
http://selleckchem.com/products/nitisinone.html

>  <CAS Number> (574)
104206-65-7

$$$$
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M  END
>  <Mol_ID> (575)
4237

>  <Formula> (575)
C29H31FN4O7

>  <MolWeight> (575)
566.5774432

>  <Item Name> (575)
Cediranib Maleate

>  <Catalog Number> (575)
S5242

>  <Synonyms> (575)
AZD-2171 maleate

>  <Target> (575)
VEGFR

>  <Form> (575)
maleate

>  <URL> (575)
http://selleckchem.com/products/cediranib-maleate.html

>  <CAS Number> (575)
 857036-77-2

$$$$
S5458 Verbascoside.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (576)
4301

>  <Formula> (576)
C29H36O15

>  <MolWeight> (576)
624.58714

>  <Item Name> (576)
Verbascoside

>  <Catalog Number> (576)
S5458

>  <Synonyms> (576)
Acteoside, Kusaginin

>  <Target> (576)
Immunology & Inflammation related

>  <Form> (576)
free base

>  <URL> (576)
http://selleckchem.com/products/verbascoside.html

>  <CAS Number> (576)
61276-17-3

$$$$
S5544 D-Ribose.cdx
csChFnd80/10101813202D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  1  0  0  0
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M  END
>  <Mol_ID> (577)
4341

>  <Formula> (577)
C5H10O5

>  <MolWeight> (577)
150.1299

>  <Item Name> (577)
D-Ribose

>  <Catalog Number> (577)
S5544

>  <Synonyms> (577)
N/A

>  <Target> (577)
Others

>  <Form> (577)
free base

>  <URL> (577)
http://selleckchem.com/products/d-ribose.html

>  <CAS Number> (577)
 50-69-1

$$$$
S3935 Nonivamide.cdx
csChFnd80/10101813202D

 21 21  0  0  0  0  0  0  0  0999 V2000
   13.3363    2.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (578)
4402

>  <Formula> (578)
C17H27NO3

>  <MolWeight> (578)
293.40118

>  <Item Name> (578)
Nonivamide

>  <Catalog Number> (578)
S3935

>  <Synonyms> (578)
?Pseudocapsaicin; Pelargonic acid vanillylamide; Nonanoic acid vanillylamide

>  <Target> (578)
TRP Channel

>  <Form> (578)
free base

>  <URL> (578)
http://selleckchem.com/products/.html

>  <CAS Number> (578)
2444-46-4

$$$$
S3937 Pterostilbene.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (579)
4404

>  <Formula> (579)
C16H16O3

>  <MolWeight> (579)
256.29644

>  <Item Name> (579)
Pterostilbene

>  <Catalog Number> (579)
S3937

>  <Synonyms> (579)
N/A

>  <Target> (579)
autophagy

>  <Form> (579)
free base

>  <URL> (579)
http://selleckchem.com/products/.html

>  <CAS Number> (579)
537-42-8

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/10101813202D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (580)
4411

>  <Formula> (580)
C28H23ClF3N7O

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Nilotinib hydrochloride

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S5205

>  <Synonyms> (580)
AMN-107 HCl

>  <Target> (580)
Bcr-Abl

>  <Form> (580)
hydrochloride 

>  <URL> (580)
http://selleckchem.com/products/nilotinib-hydrochloride.html

>  <CAS Number> (580)
923288-95-3

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (581)
4413

>  <Formula> (581)
C22H23ClN4O7S

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>  <Item Name> (581)
lenvatinib Mesylate

>  <Catalog Number> (581)
S5240

>  <Synonyms> (581)
N/A

>  <Target> (581)
VEGFR

>  <Form> (581)
Mesylate

>  <URL> (581)
http://selleckchem.com/products/lenvatinib-mesylate.html

>  <CAS Number> (581)
 857890-39-2

$$$$
S5247 Selamectin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (582)
4414

>  <Formula> (582)
C43H63NO11

>  <MolWeight> (582)
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>  <Item Name> (582)
Selamectin

>  <Catalog Number> (582)
S5247

>  <Synonyms> (582)
N/A

>  <Target> (582)
others

>  <Form> (582)
free base

>  <URL> (582)
http://selleckchem.com/products/.html

>  <CAS Number> (582)
 220119-17-5

$$$$
S5351 Cefmetazole sodium.cdx
csChFnd80/10101813202D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.7133    4.4389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1181    4.4389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (583)
4421

>  <Formula> (583)
C15H16N7NaO5S3

>  <MolWeight> (583)
493.51621

>  <Item Name> (583)
Cefmetazole sodium

>  <Catalog Number> (583)
S5351

>  <Synonyms> (583)
Sodium cefmetazole

>  <Target> (583)
others

>  <Form> (583)
sodium salt

>  <URL> (583)
http://selleckchem.com/products/.html

>  <CAS Number> (583)
56796-39-5

$$$$
S5352 Cefminox Sodium.cdx
csChFnd80/10101813202D

 35 36  0  0  0  0  0  0  0  0999 V2000
    9.8057   12.6414    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    7.4072   10.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
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  3 10  1  0  0  0  0
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 28 29  1  0  0  0  0
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  7 35  1  1  0  0  0
M  END
>  <Mol_ID> (584)
4422

>  <Formula> (584)
C16H20N7NaO7S3

>  <MolWeight> (584)
541.55747

>  <Item Name> (584)
Cefminox Sodium

>  <Catalog Number> (584)
S5352

>  <Synonyms> (584)
Meicelin, MT-141

>  <Target> (584)
Anti-infection

>  <Form> (584)
sodium salt

>  <URL> (584)
http://selleckchem.com/products/cefminox-sodium.html

>  <CAS Number> (584)
75498-96-3 

$$$$
S5361 Bendazac.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    0.0000    3.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (585)
4428

>  <Formula> (585)
C16H14N2O3

>  <MolWeight> (585)
282.29396

>  <Item Name> (585)
Bendazac

>  <Catalog Number> (585)
S5361

>  <Synonyms> (585)
bendazolic acid, AF-983

>  <Target> (585)
Immunology & Inflammation related

>  <Form> (585)
free base

>  <URL> (585)
http://selleckchem.com/products/bendazac.html

>  <CAS Number> (585)
20187-55-7

$$$$
S5388 Betrixaban.cdx
csChFnd80/10101813202D

 32 34  0  0  0  0  0  0  0  0999 V2000
    9.7073    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (586)
4431

>  <Formula> (586)
C23H22ClN5O3

>  <MolWeight> (586)
451.90548

>  <Item Name> (586)
Betrixaban

>  <Catalog Number> (586)
S5388

>  <Synonyms> (586)
PRT054021

>  <Target> (586)
factor Xa(fXa)

>  <Form> (586)
free base

>  <URL> (586)
http://selleckchem.com/products/.html

>  <CAS Number> (586)
330942-05-7

$$$$
S5389 Betrixaban maleate.cdx
csChFnd80/10101813202D

 40 41  0  0  0  0  0  0  0  0999 V2000
    9.7129    2.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (587)
4432

>  <Formula> (587)
C27H26ClN5O7

>  <MolWeight> (587)
567.97764

>  <Item Name> (587)
Betrixaban maleate

>  <Catalog Number> (587)
S5389

>  <Synonyms> (587)
N/A

>  <Target> (587)
factor Xa?(fXa)

>  <Form> (587)
maleate

>  <URL> (587)
http://selleckchem.com/products/.html

>  <CAS Number> (587)
936539-80-9

$$$$
S5405 Propylparaben.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (588)
4434

>  <Formula> (588)
C10H12O3

>  <MolWeight> (588)
180.20048

>  <Item Name> (588)
Propylparaben

>  <Catalog Number> (588)
S5405

>  <Synonyms> (588)
4-Hydroxybenzoes?urepropylester

>  <Target> (588)
others

>  <URL> (588)
http://selleckchem.com/products/.html

>  <CAS Number> (588)
94-13-3

$$$$
S5411 Sultamicillin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (589)
4435

>  <Formula> (589)
C25H30N4O9S2

>  <MolWeight> (589)
594.6571

>  <Item Name> (589)
Sultamicillin

>  <Catalog Number> (589)
S5411

>  <Form> (589)
free base

>  <CAS Number> (589)
76497-13-7

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (590)
4437

>  <Formula> (590)
C22H25ClO7

>  <MolWeight> (590)
436.8827

>  <Item Name> (590)
Ertugliflozin

>  <Catalog Number> (590)
S5413

>  <Synonyms> (590)
PF-04971729?

>  <Target> (590)
SGLT2

>  <Form> (590)
free base

>  <URL> (590)
http://selleckchem.com/products/.html

>  <CAS Number> (590)
1210344-57-2

$$$$
ARQ 531.cdx
csChFnd80/10101813202D

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M  END
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4438

>  <Formula> (591)
C25H23ClN4O4

>  <MolWeight> (591)
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>  <Item Name> (591)
ARQ 531

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S8711

>  <Synonyms> (591)
N/A

>  <Target> (591)
BTK

>  <Form> (591)
free base

>  <URL> (591)
http://selleckchem.com/products/.html

>  <CAS Number> (591)
2095393-15-8

$$$$
BMS-986205.cdx
csChFnd80/10101813202D

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4439

>  <Formula> (592)
C24H24ClFN2O

>  <MolWeight> (592)
410.9115632

>  <Catalog Number> (592)
S8629

>  <Synonyms> (592)
N/A

>  <Target> (592)
IDO1

>  <Form> (592)
free base

>  <URL> (592)
http://selleckchem.com/products/.html

>  <CAS Number> (592)
1923833-60-6

$$$$
S5414 Diflucortolone valerate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (593)
4441

>  <Formula> (593)
C27H36F2O5

>  <MolWeight> (593)
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>  <Item Name> (593)
Diflucortolone valerate

>  <Catalog Number> (593)
S5414

>  <Target> (593)
Others

>  <Form> (593)
free base

>  <URL> (593)
http://selleckchem.com/products/diflucortolone-valerate.html

>  <CAS Number> (593)
59198-70-8

$$$$
S5482 Prilocaine hydrochloride.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (594)
4444

>  <Formula> (594)
C13H21ClN2O

>  <MolWeight> (594)
256.77164

>  <Item Name> (594)
Prilocaine hydrochloride

>  <Catalog Number> (594)
S5482

>  <Synonyms> (594)
N/A

>  <Target> (594)
Sodium channel

>  <Form> (594)
hydrochloride 

>  <URL> (594)
http://selleckchem.com/products/.html

>  <CAS Number> (594)
1786-81-8

$$$$
S5493 Atropine sulfate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (595)
4445

>  <Formula> (595)
C34H48N2O10S

>  <MolWeight> (595)
676.81732

>  <Item Name> (595)
Atropine sulfate

>  <Catalog Number> (595)
S5493

>  <Synonyms> (595)
Sulfatropinol

>  <Target> (595)
Muscarinic AChR

>  <Form> (595)
sulfate 

>  <URL> (595)
http://selleckchem.com/products/.html

>  <CAS Number> (595)
 55-48-1

$$$$
S5647 Emedastine Difumarate.cdx
csChFnd80/10101813202D

 38 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (596)
4447

>  <Formula> (596)
C25H34N4O9

>  <MolWeight> (596)
534.55886

>  <Item Name> (596)
Emedastine Difumarate

>  <Catalog Number> (596)
S5647

>  <Synonyms> (596)
Rapimine, Emedastine fumarate

>  <Target> (596)
Histamine Receptor

>  <URL> (596)
http://selleckchem.com/products/emedastine-difumarate.html

>  <CAS Number> (596)
87233-62-3

$$$$
S5648 Iguratimod.cdx
csChFnd80/10101813202D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (597)
4448

>  <Formula> (597)
C17H14N2O6S

>  <MolWeight> (597)
374.36786

>  <Item Name> (597)
 Iguratimod

>  <Catalog Number> (597)
S5648

>  <Synonyms> (597)
T-614

>  <Target> (597)
Immunology & Inflammation related

>  <Form> (597)
free base

>  <URL> (597)
http://selleckchem.com/products/iguratimod.html

>  <CAS Number> (597)
123663-49-0

$$$$
S5651 Dexrazoxane.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (598)
4449

>  <Formula> (598)
C11H16N4O4

>  <MolWeight> (598)
268.26914

>  <Item Name> (598)
Dexrazoxane

>  <Catalog Number> (598)
S5651

>  <Synonyms> (598)
ICRF-187

>  <Target> (598)
Others

>  <Form> (598)
free base

>  <URL> (598)
http://selleckchem.com/products/dexrazoxane.html

>  <CAS Number> (598)
24584-09-6

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (599)
4456

>  <Formula> (599)
C23H32O6

>  <MolWeight> (599)
404.49658

>  <Item Name> (599)
Hydrocortisone acetate

>  <Catalog Number> (599)
S5501

>  <Synonyms> (599)
Hydrocortisone 21-acetate

>  <Target> (599)
Glucocorticoid receptor

>  <Form> (599)
free base

>  <URL> (599)
http://selleckchem.com/products/.html

>  <CAS Number> (599)
50-03-3

$$$$
S5537 Tizanidine.cdx
csChFnd80/10101813202D

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  1  4  2  0  0  0  0
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M  END
>  <Mol_ID> (600)
4457

>  <Formula> (600)
C9H8ClN5S

>  <MolWeight> (600)
253.71132

>  <Item Name> (600)
Tizanidine

>  <Catalog Number> (600)
S5537

>  <CAS Number> (600)
51322-75-9

$$$$
S5621 Cilastatin.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
   11.2000    6.0623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2000    7.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6787    8.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (601)
4463

>  <Formula> (601)
C16H26N2O5S

>  <MolWeight> (601)
358.45304

>  <Item Name> (601)
Cilastatin

>  <Catalog Number> (601)
S5621

>  <Form> (601)
free base

>  <CAS Number> (601)
82009-34-5

$$$$
S5623 Bedaquiline.cdx
csChFnd80/10101813202D

 37 41  0  0  0  0  0  0  0  0999 V2000
    1.2110    4.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0672    3.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (602)
4465

>  <Formula> (602)
C32H31BrN2O2

>  <MolWeight> (602)
555.50474

>  <Item Name> (602)
Bedaquiline

>  <Catalog Number> (602)
S5623

>  <Synonyms> (602)
TMC207; R207910

>  <Target> (602)
tuberculosis

>  <Form> (602)
free base

>  <URL> (602)
http://selleckchem.com/products/.html

>  <CAS Number> (602)
843663-66-1

$$$$
S5626 Benzalkonium chloride.cdx
csChFnd80/10101813202D

 18 16  0  0  0  0  0  0  0  0999 V2000
    1.2094    3.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   18
2-7
M  END
>  <Mol_ID> (603)
4467

>  <Formula> (603)
C15H26ClNR

>  <MolWeight> (603)
255.82664

>  <Item Name> (603)
Benzalkonium chloride

>  <Catalog Number> (603)
S5626

>  <Synonyms> (603)
N/A

>  <Target> (603)
Immunology & Inflammation related

>  <Form> (603)
free base

>  <URL> (603)
http://selleckchem.com/products/.html

>  <CAS Number> (603)
63449-41-2

$$$$
S4855 Eluxadoline.cdx
csChFnd80/10101813202D

 42 45  0  0  0  0  0  0  0  0999 V2000
   13.6729    7.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (604)
4476

>  <Formula> (604)
C32H35N5O5

>  <MolWeight> (604)
569.6508

>  <Item Name> (604)
Eluxadoline

>  <Catalog Number> (604)
S4855

>  <Synonyms> (604)
JNJ-27018966

>  <Target> (604)
opioid receptor

>  <URL> (604)
http://selleckchem.com/products/.html

>  <CAS Number> (604)
864821-90-9

$$$$
SNS-314 Mesylate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (605)
4506

>  <Formula> (605)
C19H19ClN6O4S3

>  <MolWeight> (605)
527.03996

>  <Item Name> (605)
SNS-314 Mesylate

>  <Catalog Number> (605)
S1154

>  <Synonyms> (605)
N/A

>  <Target> (605)
Aurora Kinase

>  <Form> (605)
Mesylate

>  <URL> (605)
http://www.selleckchem.com/products/SNS-314.html

>  <CAS Number> (605)
1146618-41-8

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (606)
4513

>  <Formula> (606)
C15H14O6

>  <MolWeight> (606)
290.26806

>  <Item Name> (606)
(+)-Catechin

>  <Catalog Number> (606)
S4722

>  <Synonyms> (606)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (606)
Others

>  <Form> (606)
Free Base

>  <URL> (606)
http://www.selleckchem.com/products/catechin.html

>  <CAS Number> (606)
154-23-4

$$$$
S5581 Olmesartan.cdx
csChFnd80/10101813202D

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 10 17  1  0  0  0  0
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 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
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M  END
>  <Mol_ID> (607)
4924

>  <Formula> (607)
C24H26N6O3

>  <MolWeight> (607)
446.50164

>  <Item Name> (607)
Olmesartan

>  <Catalog Number> (607)
S5581

>  <Target> (607)
Angiotensin Receptor

>  <Form> (607)
free base

>  <URL> (607)
http://selleckchem.com/products/.html

>  <CAS Number> (607)
144689-24-7

$$$$
S5592 Vitamin A.cdx
csChFnd80/10101813202D

 21 21  0  0  0  0  0  0  0  0999 V2000
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   10.9431    2.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7171    2.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0880    2.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6586    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5787    2.2317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    2.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2353    2.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3525    3.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    3.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0880    4.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9431    4.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1 10  1  0  0  0  0
 11 12  2  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
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 19  1  0  0  0  0
  9 11  1  0  0  0  0
  7 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (608)
4926

>  <Formula> (608)
C20H30O

>  <MolWeight> (608)
286.4516

>  <Item Name> (608)
Vitamin A

>  <Catalog Number> (608)
S5592

>  <Target> (608)
Others

>  <Form> (608)
free base

>  <URL> (608)
http://selleckchem.com/products/.html

>  <CAS Number> (608)
68-26-8

$$$$
S5491 Lomefloxacin.cdx
csChFnd80/10101813202D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2452    2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6620    2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8333    2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6620    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    6.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8333    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8703    4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    4.9251    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    2.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    0.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0787    4.2533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8703    6.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4166    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.6718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (609)
4947

>  <Formula> (609)
C17H19F2N3O3

>  <MolWeight> (609)
351.3478664

>  <Item Name> (609)
Lomefloxacin

>  <Catalog Number> (609)
S5491

>  <Target> (609)
Bacterial

>  <Form> (609)
free base

>  <URL> (609)
http://selleckchem.com/products/.html

>  <CAS Number> (609)
98079-51-7

$$$$
S5397 Chlorhexidine.cdx
csChFnd80/10101813202D

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 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
    3.6373    4.2000    0.0000 C   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
    1.2124    2.8000    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
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  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  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
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 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (610)
4962

>  <Formula> (610)
C22H30Cl2N10

>  <MolWeight> (610)
505.4466

>  <Item Name> (610)
Chlorhexidine

>  <Catalog Number> (610)
S5397

>  <Target> (610)
Bacterial

>  <Form> (610)
free base

>  <URL> (610)
http://selleckchem.com/products/.html

>  <CAS Number> (610)
55-56-1

$$$$
S9327 Carboprost.cdx
csChFnd80/10101813202D

 26 26  0  0  0  0  0  0  0  0999 V2000
    9.6778    7.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3324    7.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9949    6.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    5.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3121    4.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667    4.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9587    4.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6858    6.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0152    9.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6325    4.5343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2052    3.1864    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8094    3.1764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3596    4.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    5.3465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0511    2.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405    2.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2864    1.1174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3947    1.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6911    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2065    2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 23  1  1  0  0  0
 17 24  1  6  0  0  0
 11 15  1  1  0  0  0
 14 25  1  6  0  0  0
 12 26  1  6  0  0  0
 10  7  1  6  0  0  0
M  END
>  <Mol_ID> (611)
4967

>  <Formula> (611)
C21H36O5

>  <MolWeight> (611)
368.50754

>  <Item Name> (611)
Carboprost

>  <Catalog Number> (611)
S9327

>  <Form> (611)
free base

>  <CAS Number> (611)
35700-23-3

$$$$
S5619 Betahistine.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
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  9 10  1  0  0  0  0
  8  9  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (612)
4994

>  <Formula> (612)
C8H12N2

>  <MolWeight> (612)
136.19428

>  <Item Name> (612)
Betahistine

>  <Catalog Number> (612)
S5619

>  <Target> (612)
Histamine Receptor

>  <Form> (612)
free base

>  <URL> (612)
http://selleckchem.com/products/.html

>  <CAS Number> (612)
5638-76-6

$$$$
S5650 Sodium Hyaluronate.cdx
csChFnd80/10101813202D

 30 29  0  0  0  0  0  0  0  0999 V2000
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    5.9030    5.5974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4752    4.2026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.6954    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4799    5.6056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4685    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2675    6.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5328    3.4817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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A   30
n
M  END
>  <Mol_ID> (613)
5000

>  <Formula> (613)
C14H20NNaO11R

>  <MolWeight> (613)
401.29847

>  <Item Name> (613)
Sodium Hyaluronate

>  <Catalog Number> (613)
S5650

>  <Target> (613)
Others

>  <Form> (613)
free base

>  <URL> (613)
http://selleckchem.com/products/.html

>  <CAS Number> (613)
9067-32-7

$$$$
S5662 Ranitidine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (614)
5042

>  <Formula> (614)
C13H22N4O3S

>  <MolWeight> (614)
314.40378

>  <Item Name> (614)
Ranitidine

>  <Catalog Number> (614)
S5662

>  <Target> (614)
Histamine Receptor

>  <Form> (614)
free base

>  <URL> (614)
http://selleckchem.com/products/.html

>  <CAS Number> (614)
66357-35-5

$$$$
S5067 Losartan.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (615)
5090

>  <Formula> (615)
C22H23ClN6O

>  <MolWeight> (615)
422.91062

>  <Item Name> (615)
Losartan

>  <Catalog Number> (615)
S5067

>  <Target> (615)
Angiotensin Receptor

>  <Form> (615)
free base

>  <URL> (615)
http://selleckchem.com/products/.html

>  <CAS Number> (615)
114798-26-4

$$$$
S5652 Elbasvir.cdx
csChFnd80/10101813202D

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 55 51  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
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 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  1  0  0  0  0
 58 62  1  6  0  0  0
 62 63  1  0  0  0  0
 63 64  2  0  0  0  0
 63 65  1  0  0  0  0
 65 66  1  0  0  0  0
 51 67  1  1  0  0  0
M  END
>  <Mol_ID> (616)
5108

>  <Formula> (616)
C49H55N9O7

>  <MolWeight> (616)
882.0171

>  <Item Name> (616)
Elbasvir

>  <Catalog Number> (616)
S5652

>  <Synonyms> (616)
MK8742

>  <Target> (616)
HCV Protease

>  <Form> (616)
free base

>  <URL> (616)
http://selleckchem.com/products/elbasvir.html

>  <CAS Number> (616)
1370468-36-2

$$$$
S5655 Venlafaxine.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7534    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1745    1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3747    1.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1322    3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5532    1.2706    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0321    2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 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  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
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 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (617)
5110

>  <Formula> (617)
C17H27NO2

>  <MolWeight> (617)
277.40178

>  <Item Name> (617)
Venlafaxine

>  <Catalog Number> (617)
S5655

>  <Synonyms> (617)
Wy 45030

>  <Target> (617)
5-HT Receptor

>  <Form> (617)

free base

>  <URL> (617)
http://selleckchem.com/products/venlafaxine.html

>  <CAS Number> (617)
93413-69-5

$$$$
S5659 Emedastine.cdx
csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.5671    1.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830    2.7872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9606    1.6142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7682    0.5152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597    2.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    4.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5532    0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5934    2.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597    0.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2472    3.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317    5.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697    3.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2424    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218    2.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906    6.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0444    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0444    2.2636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804    7.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3224    2.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3393    8.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
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 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (618)
5112

>  <Formula> (618)
C17H26N4O

>  <MolWeight> (618)
302.41454

>  <Item Name> (618)
Emedastine

>  <Catalog Number> (618)
S5659

>  <Synonyms> (618)
N/A

>  <Target> (618)
Histamine Receptor

>  <Form> (618)
free base

>  <URL> (618)
http://selleckchem.com/products/emedastine.html

>  <CAS Number> (618)
87233-61-2

$$$$
S5661 Tiaprofenic acid.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.6550    2.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7876    3.7186    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3288    3.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0836    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9203    2.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406    4.6938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4876    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2471    3.3270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7046    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2336    2.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6082    4.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5812    2.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8725    0.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    0.3623    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
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (619)
5113

>  <Formula> (619)
C14H12O3S

>  <MolWeight> (619)
260.30828

>  <Item Name> (619)
Tiaprofenic acid

>  <Catalog Number> (619)
S5661

>  <Synonyms> (619)
Tiaprofensaeure, Acido tiaprofenico

>  <Target> (619)
Immunology & Inflammation related

>  <Form> (619)
free base

>  <URL> (619)
http://selleckchem.com/products/tiaprofenic-acid.html

>  <CAS Number> (619)
33005-95-7

$$$$
S5709 Norgestrel.cdx
csChFnd80/10101813202D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.3179    4.1962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3179    2.7685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6629    4.6275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1100    4.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1100    2.0745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6629    2.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4865    3.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1884    6.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0864    6.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941    2.8157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1100    0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6825    2.1176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.1100    3.5098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941    1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    3.5451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 23  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  6  0  0  0
  3 27  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  1  0  0  0
  7  8  1  0  0  0  0
  9 14  3  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  6  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  1  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (620)
5116

>  <Formula> (620)
C21H28O2

>  <MolWeight> (620)
312.44582

>  <Item Name> (620)
Norgestrel

>  <Catalog Number> (620)
S5709

>  <Target> (620)
CDK

>  <Form> (620)
free base

>  <URL> (620)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (620)
6533-00-2 

$$$$
S5717 Acetohexamide.cdx
csChFnd80/10101813202D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  1  5  2  0  0  0  0
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  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 13  1  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (621)
5120

>  <Formula> (621)
C15H20N2O4S

>  <MolWeight> (621)
324.3953

>  <Item Name> (621)
Acetohexamide

>  <Catalog Number> (621)
S5717

>  <Synonyms> (621)
N/A

>  <Target> (621)
Others

>  <Form> (621)
free base

>  <URL> (621)
http://selleckchem.com/products/acetohexamide.html

>  <CAS Number> (621)
968-81-0

$$$$
