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Bcl-2 

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Free Base

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

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852808-04-9

$$$$
untitled.cdx
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>  <Mol_ID> (2)
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Bortezomib (Velcade)

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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
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>  <Mol_ID> (3)
14

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>  <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
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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
csChFnd80/07161817392D

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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
csChFnd80/07161817392D

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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
csChFnd80/07161817392D

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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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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

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747412-49-3

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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

$$$$
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csChFnd80/07161817392D

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>  <Mol_ID> (14)
60

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Brivanib (BMS-540215)

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N/A 

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VEGFR, FGFR

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Free Base

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

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

$$$$
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Phospholipase

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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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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

>  <CAS Number> (28)
467214-21-7

$$$$
untitled.cdx
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>  <Mol_ID> (29)
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C17H24N4O2S2

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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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>  <Target> (30)
Aurora Kinase

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Mesylate

>  <URL> (30)
http://www.selleckchem.com/products/SNS-314.html

>  <CAS Number> (30)
1146618-41-8

$$$$
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>  <Mol_ID> (31)
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Microtubule Associated

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Free Base

>  <URL> (31)
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>  <CAS Number> (31)
141430-65-1

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

>  <Formula> (37)
C21H25N7

>  <MolWeight> (37)
375.4701

>  <Item Name> (37)
ENMD-2076

>  <Catalog Number> (37)
S1181

>  <Synonyms> (37)
N/A 

>  <Target> (37)
Flt, Aurora Kinase, VEGFR

>  <Form> (37)
Tartaric Acid 

>  <URL> (37)
http://www.selleckchem.com/products/ENMD-2076.html

>  <CAS Number> (37)
934353-76-1

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (38)
131

>  <Formula> (38)
C35H46FN5O9S

>  <MolWeight> (38)
731.8312432

>  <Item Name> (38)
Danoprevir (ITMN-191)

>  <Catalog Number> (38)
S1183

>  <Synonyms> (38)
RG7227, ITMN-191, RO5190591

>  <Target> (38)
Proteasome, HCV Protease

>  <Form> (38)
Free Base

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

>  <CAS Number> (38)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/07161817392D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (39)
133

>  <Formula> (39)
C19H14F3N3O3

>  <MolWeight> (39)
389.3279696

>  <Item Name> (39)
MK-2866 (GTx-024)

>  <Catalog Number> (39)
S1174

>  <Synonyms> (39)
Enobosarm, ostarine

>  <Target> (39)
Androgen Receptor

>  <Form> (39)
Free Base

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

>  <CAS Number> (39)
841205-47-8

$$$$
OSI-930.cdx
csChFnd80/07161817392D

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c-Kit, VEGFR

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Free Base

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http://www.selleckchem.com/products/OSI-930.html

>  <CAS Number> (40)
728033-96-3

$$$$
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S1233

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2-ME2

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HIF

>  <Form> (41)
Free Base

>  <URL> (41)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (41)
362-07-2

$$$$
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182

>  <Formula> (42)
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>  <MolWeight> (42)
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S1037

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NSC639966

>  <Target> (42)
Akt

>  <Form> (42)
Free Base

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

>  <CAS Number> (42)
157716-52-4

$$$$
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Topoisomerase

>  <Form> (43)
Free Base

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

>  <CAS Number> (43)
7689-03-4

$$$$
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1262036-50-9

$$$$
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875337-44-3

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319

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C7H10NNaO7P2

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>  <Item Name> (49)
Risedronate sodium

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S1428

>  <Synonyms> (49)
Actonel

>  <Target> (49)
Others

>  <Form> (49)
Sodium salt

>  <URL> (49)
http://www.selleckchem.com/products/Risedronate-sodium.html

>  <CAS Number> (49)
115436-72-1

$$$$
Tipifarnib.cdx
csChFnd80/07161817392D

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337

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C27H22Cl2N4O

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489.39578

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Tipifarnib (Zarnestra)

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S1453

>  <Synonyms> (50)
R115777

>  <Target> (50)
Farnesyltransferase, Ras

>  <Form> (50)
Free Base

>  <URL> (50)
http://www.selleckchem.com/products/Tipifarnib(R115777).html

>  <CAS Number> (50)
192185-72-1

$$$$
HMN-214.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (51)
363

>  <Formula> (51)
C22H20N2O5S

>  <MolWeight> (51)
424.4696

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HMN-214

>  <Catalog Number> (51)
S1485

>  <Synonyms> (51)
N/A

>  <Target> (51)
PLK 

>  <Form> (51)
Free Base

>  <URL> (51)
http://www.selleckchem.com/products/HMN-214.html

>  <CAS Number> (51)
173529-46-9 

$$$$
AEE-788.cdx
csChFnd80/07161817392D

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364

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C27H32N6

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AEE788 (NVP-AEE788)

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S1486

>  <Synonyms> (52)
N/A 

>  <Target> (52)
EGFR, Flt, VEGFR, HER2

>  <Form> (52)
Free Base

>  <URL> (52)
http://www.selleckchem.com/products/AEE788.html

>  <CAS Number> (52)
497839-62-0

$$$$
PHA-793887.cdx
csChFnd80/07161817392D

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mTOR

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1009298-09-2

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286370-15-8

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866541-93-7

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Bcr-Abl

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1020172-07-9

$$$$
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Free Base

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7235-40-7

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   10.8993    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (66)
571

>  <Formula> (66)
C15H10O4

>  <MolWeight> (66)
254.2375

>  <Item Name> (66)
Daidzein

>  <Catalog Number> (66)
S1849

>  <Synonyms> (66)
N/A

>  <Target> (66)
Others

>  <Form> (66)
Free Base

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

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

$$$$
Silymarin.cdx
csChFnd80/07161817392D

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (67)
603

>  <Formula> (67)
C25H22O10

>  <MolWeight> (67)
482.43618

>  <Item Name> (67)
Silymarin (Silybin B)

>  <Catalog Number> (67)
S2358

>  <Synonyms> (67)
Silybin B, Silibinin B

>  <Target> (67)
NULL

>  <Form> (67)
Free Base

>  <URL> (67)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (67)
65666-07-1

$$$$
Tanshinone I.cdx
csChFnd80/07161817392D

 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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 10  5  1  0  0  0  0
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 14  8  1  0  0  0  0
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 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (68)
608

>  <Formula> (68)
C18H12O3

>  <MolWeight> (68)
276.28608

>  <Item Name> (68)
Tanshinone I

>  <Catalog Number> (68)
S2364

>  <Synonyms> (68)
N/A

>  <Target> (68)
Others

>  <Form> (68)
Free Base

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

>  <CAS Number> (68)
568-73-0

$$$$
Tanshinone IIA.cdx
csChFnd80/07161817392D

 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
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 10  5  1  0  0  0  0
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 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (69)
609

>  <Formula> (69)
C19H18O3

>  <MolWeight> (69)
294.34442

>  <Item Name> (69)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (69)
S2365

>  <Synonyms> (69)
Tanshinone B, Tanshinone II

>  <Target> (69)
Lipase

>  <Form> (69)
Free Base

>  <URL> (69)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (69)
568-72-9

$$$$
Ursolic acid.cdx
csChFnd80/07161817392D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (70)
613

>  <Formula> (70)
C30H48O3

>  <MolWeight> (70)
456.70032

>  <Item Name> (70)
Ursolic acid (Malol)

>  <Catalog Number> (70)
S2370

>  <Synonyms> (70)
Malol, Prunol, Urson

>  <Target> (70)
Others

>  <Form> (70)
Free Base

>  <URL> (70)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (70)
77-52-1

$$$$
Gastrodin.cdx
csChFnd80/07161817392D

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S2383

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Gastrodine

>  <Target> (71)
Others

>  <Form> (71)
Free Base

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

>  <CAS Number> (71)
62499-27-8 

$$$$
Indirubin.cdx
csChFnd80/07161817392D

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C16H10N2O2

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Indirubin

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S2386

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N/A

>  <Target> (72)
GSK-3

>  <Form> (72)
Free Base

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

>  <CAS Number> (72)
479-41-4 

$$$$
Polydatin.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (73)
633

>  <Formula> (73)
C20H22O8

>  <MolWeight> (73)
390.38388

>  <Item Name> (73)
Polydatin(Piceid)

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S2390

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

>  <Target> (73)
Phospholipase (e.g. PLA)

>  <Form> (73)
Free Base

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

>  <CAS Number> (73)
65914-17-2

$$$$
Naringenin.cdx
csChFnd80/07161817392D

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637

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C15H12O5

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272.25278

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Naringenin

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S2394

>  <Synonyms> (74)
N/A

>  <Target> (74)
P450

>  <Form> (74)
Free Base

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

>  <CAS Number> (74)
480-41-1

$$$$
AZD8330.cdx
csChFnd80/07161817392D

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655

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MEK

>  <Form> (75)
Free Base

>  <URL> (75)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

>  <CAS Number> (75)
869357-68-6

$$$$
Creatinine.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (80)
674

>  <Formula> (80)
C24H30ClN3O5

>  <MolWeight> (80)
475.9651

>  <Item Name> (80)
ITF2357 (Givinostat)

>  <Catalog Number> (80)
S2170

>  <Synonyms> (80)
N/A 

>  <Target> (80)
HDAC 

>  <Form> (80)
Chloride

>  <URL> (80)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (80)
732302-99-7

$$$$
SB743921.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (81)
685

>  <Formula> (81)
C31H34Cl2N2O3

>  <MolWeight> (81)
553.51926

>  <Item Name> (81)
SB743921 HCl

>  <Catalog Number> (81)
S2182 

>  <Synonyms> (81)
N/A

>  <Target> (81)
Kinesin

>  <Form> (81)
Hydrochloride

>  <URL> (81)
http://www.selleckchem.com/products/SB-743921.html

>  <CAS Number> (81)
940929-33-9

$$$$
ivermectin.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (82)
686

>  <Formula> (82)
C48H74O14

>  <MolWeight> (82)
875.09276

>  <Item Name> (82)
Ivermectin

>  <Catalog Number> (82)
S1351

>  <Synonyms> (82)
Stromectol

>  <Target> (82)
Antifection

>  <Form> (82)
Free Base

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

>  <CAS Number> (82)
70288-86-7

$$$$
Avasimibe.cdx
csChFnd80/07161817392D

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JAK 

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1056634-68-4

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4-MU

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Others

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Free Base

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90-33-5

$$$$
Andrographolide.cdx
csChFnd80/07161817392D

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NF-¦ÊB

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Free Base

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

>  <CAS Number> (92)
5508-58-7

$$$$
Apigenin.cdx
csChFnd80/07161817392D

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C15H10O5

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>  <Target> (93)
P450

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Free Base

>  <URL> (93)
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>  <CAS Number> (93)
520-36-5

$$$$
Arbutin.cdx
csChFnd80/07161817392D

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Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

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Estrogen/progestogen Receptor

>  <Form> (94)
Free Base

>  <URL> (94)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

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497-76-7

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Baicalein.cdx
csChFnd80/07161817392D

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C15H10O5

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P450

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>  <URL> (95)
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>  <CAS Number> (95)
491-67-8

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PNU200577.cdx
csChFnd80/07161817392D

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726

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AChR 

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207679-81-0

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VX 765.cdx
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 23 15  1  0  0  0  0
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 30 31  1  0  0  0  0
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 29 32  2  0  0  0  0
 31 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (97)
729

>  <Formula> (97)
C24H33ClN4O6

>  <MolWeight> (97)
508.99502

>  <Item Name> (97)
Belnacasan (VX-765)

>  <Catalog Number> (97)
S2228

>  <Synonyms> (97)
N/A

>  <Target> (97)
Caspase

>  <Form> (97)
Free Base

>  <URL> (97)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (97)
273404-37-8

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/07161817392D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  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
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 14  1  0  0  0  0
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  2 22  1  0  0  0  0
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  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (98)
731

>  <Formula> (98)
C20H18ClNO4

>  <MolWeight> (98)
371.81422

>  <Item Name> (98)
Berberine chloride

>  <Catalog Number> (98)
S2271

>  <Synonyms> (98)
N/A

>  <Target> (98)
Antifection

>  <Form> (98)
chloride

>  <URL> (98)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (98)
633-65-8

$$$$
Bilobalide.cdx
csChFnd80/07161817392D

 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
    3.1595    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.4147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9921    3.4147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4247    4.7462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1595    2.0832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2921    1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4247    2.0832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1247    2.5918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2574    3.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8247    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    4.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.4147    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  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  4  9  1  0  0  0  0
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 10 11  1  0  0  0  0
  5 11  1  6  0  0  0
  3 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  6  0  0  0
 13 15  2  0  0  0  0
  2 16  2  0  0  0  0
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  6 25  1  1  0  0  0
M  END
>  <Mol_ID> (99)
733

>  <Formula> (99)
C15H18O8

>  <MolWeight> (99)
326.29862

>  <Item Name> (99)
Bilobalide

>  <Catalog Number> (99)
S2276

>  <Synonyms> (99)
N/A

>  <Target> (99)
Others

>  <Form> (99)
Free Base

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

>  <CAS Number> (99)
33570-04-6

$$$$
Caffeic acid.cdx
csChFnd80/07161817392D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    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
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (100)
734

>  <Formula> (100)
C9H8O4

>  <MolWeight> (100)
180.15742

>  <Item Name> (100)
Caffeic acid

>  <Catalog Number> (100)
S2277

>  <Synonyms> (100)
N/A

>  <Target> (100)
Others

>  <Form> (100)
Free Base

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

>  <CAS Number> (100)
331-39-5

$$$$
Chlorogenic acid.cdx
csChFnd80/07161817392D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6742    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (101)
735

>  <Formula> (101)
C16H18O9

>  <MolWeight> (101)
354.30872

>  <Item Name> (101)
Chlorogenic acid

>  <Catalog Number> (101)
S2280

>  <Synonyms> (101)
N/A

>  <Target> (101)
Others

>  <Form> (101)
Free Base

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

>  <CAS Number> (101)
327-97-9

$$$$
Diosmin.cdx
csChFnd80/07161817392D

 43 47  0  0  0  0  0  0  0  0999 V2000
    1.2082   11.8830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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744

>  <Formula> (102)
C28H32O15

>  <MolWeight> (102)
608.54468

>  <Item Name> (102)
Diosmin

>  <Catalog Number> (102)
S2292

>  <Synonyms> (102)
N/A

>  <Target> (102)
Others

>  <Form> (102)
Free Base

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

>  <CAS Number> (102)
520-27-4

$$$$
Emodin.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (103)
747

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C15H10O5

>  <MolWeight> (103)
270.2369

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Emodin

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S2295

>  <Synonyms> (103)
N/A

>  <Target> (103)
Dehydrogenase

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
518-82-1

$$$$
Fisetin.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (104)
751

>  <Formula> (104)
C15H10O6

>  <MolWeight> (104)
286.2363

>  <Item Name> (104)
Fisetin (Fustel)

>  <Catalog Number> (104)
S2298

>  <Synonyms> (104)
Fustel, Viset

>  <Target> (104)
Sirtuin

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (104)
528-48-3

$$$$
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csChFnd80/07161817392D

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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 17 19  1  0  0  0  0
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  2 23  1  1  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 18 26  1  1  0  0  0
 17 27  1  1  0  0  0
 21 28  1  1  0  0  0
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  3 32  1  0  0  0  0
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 23 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 21 40  1  6  0  0  0
 11 41  1  6  0  0  0
 10 42  1  6  0  0  0
  4 43  1  6  0  0  0
 37 44  1  6  0  0  0
 39 45  1  6  0  0  0
 45 46  1  0  0  0  0
 46 47  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 46  1  0  0  0  0
 36 52  1  1  0  0  0
 38 53  1  1  0  0  0
 50 54  1  1  0  0  0
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 49 56  1  6  0  0  0
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 52 61  2  0  0  0  0
M  END
>  <Mol_ID> (105)
754

>  <Formula> (105)
C42H62O16

>  <MolWeight> (105)
822.93208

>  <Item Name> (105)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Catalog Number> (105)
S2302

>  <Synonyms> (105)
N/A

>  <Target> (105)
Others

>  <Form> (105)
Free Base

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

>  <CAS Number> (105)
1405-86-3

$$$$
Hesperidin.cdx
csChFnd80/07161817392D

 43 47  0  0  0  0  0  0  0  0999 V2000
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    8.4870    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 10  8  1  1  0  0  0
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M  END
>  <Mol_ID> (106)
760

>  <Formula> (106)
C28H34O15

>  <MolWeight> (106)
610.56056

>  <Item Name> (106)
Hesperidin

>  <Catalog Number> (106)
S2309

>  <Synonyms> (106)
N/A

>  <Target> (106)
NULL

>  <Form> (106)
Free Base

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

>  <CAS Number> (106)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/07161817392D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (107)
761

>  <Formula> (107)
C18H18O2

>  <MolWeight> (107)
266.33432

>  <Item Name> (107)
Honokiol

>  <Catalog Number> (107)
S2310

>  <Synonyms> (107)
N/A

>  <Target> (107)
Akt, MEK

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (107)
35354-74-6

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/07161817392D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  5 18  1  1  0  0  0
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 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
  2 23  1  6  0  0  0
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 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 22 27  1  6  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (108)
762

>  <Formula> (108)
C24H40O4

>  <MolWeight> (108)
392.572

>  <Item Name> (108)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (108)
S2311

>  <Synonyms> (108)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (108)
Others

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/Hyodeoxycholic-acid(HDCA).html

>  <CAS Number> (108)
83-49-8

$$$$
Icariin.cdx
csChFnd80/07161817392D

 48 52  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3326    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3326    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5408    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   11.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
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  9 10  1  0  0  0  0
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 14  9  2  0  0  0  0
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 16 19  1  0  0  0  0
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 24 25  1  0  0  0  0
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  1 32  1  1  0  0  0
  3 33  1  1  0  0  0
 24 34  1  1  0  0  0
  2 35  1  6  0  0  0
 26 36  1  6  0  0  0
 25 37  1  6  0  0  0
 23 38  1  6  0  0  0
 32 39  1  0  0  0  0
 11 40  1  0  0  0  0
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 29 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (109)
763

>  <Formula> (109)
C33H40O15

>  <MolWeight> (109)
676.6617

>  <Item Name> (109)
Icariin

>  <Catalog Number> (109)
S2312

>  <Synonyms> (109)
N/A

>  <Target> (109)
PDE

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (109)
489-32-7

$$$$
Indole-3-carbinol.cdx
csChFnd80/07161817392D

 11 12  0  0  0  0  0  0  0  0999 V2000
    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
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    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (110)
764

>  <Formula> (110)
C9H9NO

>  <MolWeight> (110)
147.17386

>  <Item Name> (110)
Indole-3-carbinol

>  <Catalog Number> (110)
S2313

>  <Synonyms> (110)
N/A

>  <Target> (110)
NF-¦ÊB

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (110)
700-06-1

$$$$
Kinetin.cdx
csChFnd80/07161817392D

 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
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (111)
766

>  <Formula> (111)
C10H9N5O

>  <MolWeight> (111)
215.21136

>  <Item Name> (111)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (111)
S2316

>  <Synonyms> (111)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (111)
Others

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (111)
525-79-1

$$$$
Luteolin.cdx
csChFnd80/07161817392D

 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
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    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
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    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 14 15  2  0  0  0  0
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 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (112)
769

>  <Formula> (112)
C15H10O6

>  <MolWeight> (112)
286.2363

>  <Item Name> (112)
Luteolin

>  <Catalog Number> (112)
S2320

>  <Synonyms> (112)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (112)
PDE

>  <Form> (112)
Free Base

>  <URL> (112)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (112)
491-70-3 

$$$$
Oleanolic Acid.cdx
csChFnd80/07161817392D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    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
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  1  2  1  0  0  0  0
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 10  5  1  0  0  0  0
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 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
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 21 25  1  0  0  0  0
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  2 30  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
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (113)
781

>  <Formula> (113)
C30H48O3

>  <MolWeight> (113)
456.70032

>  <Item Name> (113)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (113)
S2334

>  <Synonyms> (113)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (113)
Antifection

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (113)
508-02-1

$$$$
Oxymatrine.cdx
csChFnd80/07161817392D

 23 26  0  0  0  0  0  0  0  0999 V2000
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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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    7.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  1  0  0  0
  5 20  1  6  0  0  0
 10 21  1  6  0  0  0
  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (114)
785

>  <Formula> (114)
C15H24N2O2

>  <MolWeight> (114)
264.36326

>  <Item Name> (114)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (114)
S2338

>  <Synonyms> (114)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (114)
Others

>  <Form> (114)
Free Base

>  <URL> (114)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (114)
16837-52-8 

$$$$
Parthenolide.cdx
csChFnd80/07161817392D

 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
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.4240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (115)
787

>  <Formula> (115)
C15H20O3

>  <MolWeight> (115)
248.3175

>  <Item Name> (115)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (115)
S2341

>  <Synonyms> (115)
N/A 

>  <Target> (115)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (115)
Free Base

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

>  <CAS Number> (115)
20554-84-1

$$$$
Puerarin.cdx
csChFnd80/07161817392D

 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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 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> (116)
791

>  <Formula> (116)
C21H20O10

>  <MolWeight> (116)
432.3775

>  <Item Name> (116)
Puerarin (Kakonein)

>  <Catalog Number> (116)
S2346

>  <Synonyms> (116)
NPI-31G 

>  <Target> (116)
5-HT Receptor

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (116)
3681-99-0

$$$$
Quercetin dihydrate.cdx
csChFnd80/07161817392D

 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> (117)
792

>  <Formula> (117)
C15H14O9

>  <MolWeight> (117)
338.26626

>  <Item Name> (117)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (117)
S2347

>  <Synonyms> (117)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (117)
Others

>  <Form> (117)
Dihydrate

>  <URL> (117)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (117)
6151-25-3

$$$$
Isoliquiritigenin.cdx
csChFnd80/07161817392D

 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  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> (118)
802

>  <Formula> (118)
C15H12O4

>  <MolWeight> (118)
256.25338

>  <Item Name> (118)
Isoliquiritigenin

>  <Catalog Number> (118)
S2404

>  <Synonyms> (118)
N/A

>  <Target> (118)
Others

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
961-29-5

$$$$
Curcumol.cdx
csChFnd80/07161817392D

 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
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>  <Formula> (119)
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Curcumol

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N/A

>  <Target> (119)
JAK

>  <Form> (119)
Free Base

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

>  <CAS Number> (119)
4871-97-0

$$$$
Dehydroepiandrosterone.cdx
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>  <Formula> (120)
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>  <MolWeight> (120)
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>  <Catalog Number> (120)
S2604

>  <Synonyms> (120)
DHEA

>  <Target> (120)
Androgen Receptor

>  <Form> (120)
Free Base

>  <URL> (120)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (120)
53-43-0

$$$$
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>  <Formula> (121)
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>  <MolWeight> (121)
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S2718

>  <Synonyms> (121)
N/A

>  <Target> (121)
Aurora Kinase

>  <Form> (121)
Free Base

>  <URL> (121)
http://www.selleckchem.com/products/tak-901.html

>  <CAS Number> (121)
934541-31-8

$$$$
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>  <Mol_ID> (122)
837

>  <Formula> (122)
C25H24F2N2O3

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>  <Item Name> (122)
Turofexorate Isopropyl (XL335)

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N/A

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FXR

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Free Base

>  <URL> (122)
http://www.selleckchem.com/products/way-362450.html

>  <CAS Number> (122)
629664-81-9

$$$$
AMG900.cdx
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>  <Mol_ID> (123)
838

>  <Formula> (123)
C28H21N7OS

>  <MolWeight> (123)
503.57764

>  <Item Name> (123)
AMG 900

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>  <Synonyms> (123)
N/A

>  <Target> (123)
Aurora Kinase

>  <Form> (123)
Free Base

>  <URL> (123)
http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (123)
945595-80-2

$$$$
Nxy-059.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (124)
887

>  <Formula> (124)
C11H13NNa2O7S2

>  <MolWeight> (124)
381.33296

>  <Item Name> (124)
NXY-059 (Disufenton sodium)

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S6002

>  <Synonyms> (124)
Cerovive, Disufenton Sodium

>  <Target> (124)
Others

>  <Form> (124)
Disodium salt

>  <URL> (124)
http://www.selleckchem.com/products/NXY-059.html

>  <CAS Number> (124)
168021-79-2

$$$$
untitled.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (125)
889

>  <Formula> (125)
C19H12F4N4O2

>  <MolWeight> (125)
404.3177928

>  <Item Name> (125)
VX-702

>  <Catalog Number> (125)
S6005

>  <Synonyms> (125)
N/A

>  <Target> (125)
p38 MAPK 

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (125)
745833-23-2

$$$$
Ketanserin.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (126)
895

>  <Formula> (126)
C22H22FN3O3

>  <MolWeight> (126)
395.4267832

>  <Item Name> (126)
Ketanserin (Vulketan Gel)

>  <Catalog Number> (126)
S2232

>  <Synonyms> (126)
R 41468, Vulketan Gel

>  <Target> (126)
5-HT Receptor

>  <Form> (126)
Free Base

>  <URL> (126)
http://www.selleckchem.com/products/Ketanserin-Vulketan-Gel.html

>  <CAS Number> (126)
74050-98-9

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (127)
898

>  <Formula> (127)
C20H16ClN5O3

>  <MolWeight> (127)
409.82574

>  <Item Name> (127)
Telatinib (BAY 57-9352)

>  <Catalog Number> (127)
S2231

>  <Synonyms> (127)
N/A 

>  <Target> (127)
VEGFR, PDGFR, c-Kit

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Free Base

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http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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332012-40-5

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N/A 

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CDK

>  <Form> (128)
Free Base

>  <URL> (128)
http://www.selleckchem.com/products/AZD5438.html

>  <CAS Number> (128)
602306-29-6 

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csChFnd80/07161817392D

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CK-1827452, CK1827452 

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ATPase

>  <Form> (129)
Free Base

>  <URL> (129)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

>  <CAS Number> (129)
873697-71-3

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mTOR

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936890-98-1

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856243-80-6

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Free Base

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741713-40-6

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MK0822

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Cathepsin K

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603139-19-1

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IGF-1R

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http://www.selleckchem.com/products/BMS-754807.html

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1001350-96-4

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>  <URL> (142)
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94055-76-2

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M  END
>  <Mol_ID> (151)
1002

>  <Formula> (151)
C23H30N8O3S

>  <MolWeight> (151)
498.6011

>  <Item Name> (151)
Apitolisib (GDC-0980, RG7422)

>  <Catalog Number> (151)
S2696 

>  <Synonyms> (151)
N/A 

>  <Target> (151)
mTOR, PI3K

>  <Form> (151)
Free Base

>  <URL> (151)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

>  <CAS Number> (151)
1032754-93-0

$$$$
Nepicastat hydrochloride.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (152)
1003

>  <Formula> (152)
C14H16ClF2N3S

>  <MolWeight> (152)
331.8117464

>  <Item Name> (152)
Nepicastat hydrochloride

>  <Catalog Number> (152)
S2695

>  <Synonyms> (152)
SYN117

>  <Target> (152)
Hydroxylase

>  <Form> (152)
Hydrochloride

>  <URL> (152)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

>  <CAS Number> (152)
170151-24-3

$$$$
SCH 900776.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (153)
1015

>  <Formula> (153)
C15H18BrN7

>  <MolWeight> (153)
376.25432

>  <Item Name> (153)
MK-8776 (SCH 900776)

>  <Catalog Number> (153)
S2735

>  <Synonyms> (153)
N/A

>  <Target> (153)
CHK

>  <Form> (153)
Free Base

>  <URL> (153)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (153)
891494-63-6

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (154)
1016

>  <Formula> (154)
C21H21Cl2NO5

>  <MolWeight> (154)
438.30114

>  <Item Name> (154)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (154)
S2679

>  <Synonyms> (154)
N/A

>  <Target> (154)
CDK

>  <Form> (154)
Hydrochloride

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

>  <CAS Number> (154)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (155)
1017

>  <Formula> (155)
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>  <MolWeight> (155)
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>  <Item Name> (155)
PH-797804

>  <Catalog Number> (155)
S2726

>  <Synonyms> (155)
N/A

>  <Target> (155)
p38 MAPK

>  <Form> (155)
Free Base

>  <URL> (155)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (155)
586379-66-0

$$$$
INK 128.cdx
csChFnd80/07161817392D

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Aurora Kinase

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1010085-13-8

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Caspase

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

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315183-21-2

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857064-38-1

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1308

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C33H37F2N7O4

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Golvatinib (E7050) 

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S2859

>  <Synonyms> (192)
E7050

>  <Target> (192)
c-Met, VEGFR

>  <Form> (192)
Free Base

>  <URL> (192)
http://www.selleckchem.com/products/golvatinib-e7050.html

>  <CAS Number> (192)
928037-13-2

$$$$
Besifloxacin HCl.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (193)
1315

>  <Formula> (193)
C19H22Cl2FN3O3

>  <MolWeight> (193)
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>  <Item Name> (193)
Besifloxacin HCl (Besivance)

>  <Catalog Number> (193)
S3055

>  <Synonyms> (193)
N/A

>  <Target> (193)
Others

>  <Form> (193)
Hydrochloride

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

>  <CAS Number> (193)
405165-61-9

$$$$
Forskolin.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (194)
1316

>  <Formula> (194)
C22H34O7

>  <MolWeight> (194)
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>  <Item Name> (194)
Forskolin

>  <Catalog Number> (194)
S2449

>  <Synonyms> (194)
Coleonol

>  <Target> (194)
cAMP

>  <Form> (194)
Free Base

>  <URL> (194)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (194)
66575-29-9

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (195)
1334

>  <Formula> (195)
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>  <MolWeight> (195)
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>  <Item Name> (195)
Apocynin (Acetovanillone)

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N/A

>  <Target> (195)
NADPH oxidase

>  <Form> (195)
Free Base

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

>  <CAS Number> (195)
498-02-2

$$$$
U-104.cdx
csChFnd80/07161817392D

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U-104

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S2866

>  <Synonyms> (196)
N/A

>  <Target> (196)
Carbonic Anhydrase

>  <Form> (196)
Free Base

>  <URL> (196)
http://www.selleckchem.com/products/u-104.html

>  <CAS Number> (196)
178606-66-1

$$$$
L-NAME HCl.cdx
csChFnd80/07161817392D

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C7H16ClN5O4

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L-NAME HCl

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S2877

>  <Synonyms> (197)
N/A

>  <Target> (197)
NOS

>  <Form> (197)
Hydrochloride

>  <URL> (197)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (197)
51298-62-5

$$$$
Betulinic acid.cdx
csChFnd80/07161817392D

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1356

>  <Formula> (198)
C30H48O3

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>  <Item Name> (198)
Betulinic acid

>  <Catalog Number> (198)
S3603

>  <Target> (198)
N/A

>  <Form> (198)
Free Base

>  <URL> (198)
http://www.selleckchem.com/products/betulinic-acid.html

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

$$$$
PF-562271.cdx
csChFnd80/07161817392D

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1358

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C21H20F3N7O3S

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PF-562271

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>  <Synonyms> (199)
N/A

>  <Form> (199)
Free Base

>  <URL> (199)
http://www.selleckchem.com/products/pf-562271.html

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717907-75-0

$$$$
Tempol.cdx
csChFnd80/07161817392D

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1361

>  <Formula> (200)
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>  <Synonyms> (200)
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Immunology & Inflammation related

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Free Base

>  <URL> (200)
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>  <CAS Number> (200)
2226-96-2

$$$$
SB 271046.cdx
csChFnd80/07161817392D

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p38 MAPK

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303162-79-0

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Antifection

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http://www.selleckchem.com/products/Arbidol-hcl.html

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131707-23-8

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PI3K

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1372540-25-4

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M  END
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PRX-08066 Maleic acid

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S8010

>  <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
csChFnd80/07161817392D

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>  <Mol_ID> (211)
1546

>  <Formula> (211)
C21H25ClN6O2

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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
csChFnd80/07161817392D

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>  <Mol_ID> (212)
1549

>  <Formula> (212)
C28H54N8

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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
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (213)
1567

>  <Formula> (213)
FNa2O3P

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143.9499042

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Sodium Monofluorophosphate

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>  <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
csChFnd80/07161817392D

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SN-38

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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
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M  END
>  <Mol_ID> (215)
1596

>  <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
csChFnd80/07161817392D

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>  <Mol_ID> (216)
1599

>  <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)
1600

>  <Formula> (217)
C26H27F3N2O6

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>  <Item Name> (217)
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>  <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
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1625

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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
csChFnd80/07161817392D

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>  <Formula> (219)
C32H37NO12

>  <MolWeight> (219)
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>  <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
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (220)
1661

>  <Formula> (220)
C6H15N2O2+

>  <MolWeight> (220)
147.1955

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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
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (221)
1673

>  <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
csChFnd80/07161817392D

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https://www.selleckchem.com/products/xl888.html

>  <CAS Number> (225)
1149705-71-4

$$$$
p276-00.cdx
csChFnd80/07161817392D

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M  END
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1695

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C21H21Cl2NO5

>  <MolWeight> (226)
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
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (227)
1742

>  <Formula> (227)
C5H11NO

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Isovaleramide

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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
csChFnd80/07161817392D

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1749

>  <Formula> (228)
C14H10O5

>  <MolWeight> (228)
258.2262

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Sasapyrine

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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
csChFnd80/07161817392D

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1760

>  <Formula> (229)
C31H35F3N6O7S2

>  <MolWeight> (229)
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>  <Item Name> (229)
GZD824 Dimesylate 

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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
csChFnd80/07161817392D

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>  <Formula> (230)
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Bergapten

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>  <Synonyms> (230)
N/A

>  <Target> (230)
DNA/RNA Synthesis

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Free Base

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

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

$$$$
NLG-919.cdx
csChFnd80/07161817392D

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IDO

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1402836-58-1

$$$$
sucralose.cdx
csChFnd80/07161817392D

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Free Base

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56038-13-2

$$$$
Clodronate disodium.cdx
csChFnd80/07161817392D

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

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

$$$$
GDC-0152.cdx
csChFnd80/07161817392D

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IAP

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Free Base

>  <URL> (234)
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>  <CAS Number> (234)
873652-48-3

$$$$
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csChFnd80/07161817392D

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N/A

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E1 Activating

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>  <CAS Number> (235)
905579-51-3

$$$$
Erythritol.cdx
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Others

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Free Base

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

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149-32-6

$$$$
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csChFnd80/07161817392D

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PaTrin-2

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DNA Methyltransferase

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Free Base

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

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192441-08-0

$$$$
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csChFnd80/07161817392D

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EPZ005687

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Histone Methyltransferase

>  <Form> (238)
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

>  <CAS Number> (239)
1240299-33-5

$$$$
PD123319.cdx
csChFnd80/07161817392D

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S7098

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RAAS

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Free Base

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130663-39-7

$$$$
Latrepirdine.cdx
csChFnd80/07161817392D

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Dimebolin

>  <Target> (241)
GluR

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Dihydrochloride

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

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97657-92-6

$$$$
Daidzin.cdx
csChFnd80/07161817392D

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C21H20O9

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Daidzin

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Others

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Free Base

>  <URL> (242)
http://www.selleckchem.com/products/Daidzin.html

>  <CAS Number> (242)
552-66-9

$$$$
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GPR
GPR

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>  <URL> (243)
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>  <CAS Number> (243)
851723-84-7, 950688-14-9 (sodium salt)

$$$$
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VX-745

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S1458

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N/A

>  <Target> (244)
p38 MAPK 

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Free Base

>  <URL> (244)
http://www.selleckchem.com/products/VX-745.html

>  <CAS Number> (244)
209410-46-8

$$$$
AZD 1480.cdx
csChFnd80/07161817392D

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1905

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C14H14ClFN8

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348.7659632

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AZD1480

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S2162

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N/A

>  <Target> (245)
JAK

>  <Form> (245)
Free Base

>  <URL> (245)
http://www.selleckchem.com/products/AZD1480.html

>  <CAS Number> (245)
935666-88-9, 1260222-79-4 (TFA)

$$$$
Bosentan.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (246)
1906

>  <Formula> (246)
C27H29N5O6S

>  <MolWeight> (246)
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>  <Item Name> (246)
Bosentan

>  <Catalog Number> (246)
S4220

>  <Synonyms> (246)
N/A

>  <Target> (246)
Endothelin Receptor

>  <Form> (246)
Free Base

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

>  <CAS Number> (246)
147536-97-8

$$$$
quinacrine dihydrochloride.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (247)
1907

>  <Formula> (247)
C23H32Cl3N3O

>  <MolWeight> (247)
472.87868

>  <Item Name> (247)
Quinacrine 2HCl

>  <Catalog Number> (247)
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
csChFnd80/07161817392D

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>  <Mol_ID> (248)
1913

>  <Formula> (248)
C24H26N4O

>  <MolWeight> (248)
386.48944

>  <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

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (249)
1914

>  <Formula> (249)
C22H22ClN5O2

>  <MolWeight> (249)
423.89538

>  <Item Name> (249)
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
csChFnd80/07161817392D

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>  <Mol_ID> (250)
1915

>  <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
csChFnd80/07161817392D

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>  <Mol_ID> (251)
1923

>  <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
csChFnd80/07161817392D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (252)
1932

>  <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
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (253)
1942

>  <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

$$$$
noscapine hydrochloride.cdx
csChFnd80/07161817392D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0041    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7917    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.9973    8.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7314    8.1405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3003    9.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6225    1.1229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 22 18  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
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 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (254)
2022

>  <Formula> (254)
C22H24ClNO7

>  <MolWeight> (254)
449.88146

>  <Item Name> (254)
noscapine hydrochloride

>  <Catalog Number> (254)
S4363 

>  <Synonyms> (254)
N/A

>  <Target> (254)
Others

>  <Form> (254)
hydrochloride

>  <URL> (254)
http://www.selleckchem.com/products/noscapine-hcl.html

>  <CAS Number> (254)
912-60-7

$$$$
oxethazaine.cdx
csChFnd80/07161817392D

 34 35  0  0  0  0  0  0  0  0999 V2000
    4.6732    1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0678    1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258    1.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7952    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3359    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7216    3.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3808    4.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0456    3.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3878    3.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1024    4.8240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4648    6.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1794    7.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4346    3.2064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0723    1.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1953    4.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7769    2.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4915    4.2934    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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 22 24  1  0  0  0  0
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (255)
2024

>  <Formula> (255)
C28H41N3O3

>  <MolWeight> (255)
467.64344

>  <Item Name> (255)
oxethazaine

>  <Catalog Number> (255)
S4343 

>  <Synonyms> (255)
Oxethacaine

>  <Target> (255)
Others

>  <Form> (255)
Free Base

>  <URL> (255)
http://www.selleckchem.com/products/oxethazaine.html

>  <CAS Number> (255)
126-27-2

$$$$
Efaproxiral sodium.cdx
csChFnd80/07161817392D

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (256)
2078

>  <Formula> (256)
C20H22NNaO4

>  <MolWeight> (256)
363.38275

>  <Item Name> (256)
Efaproxiral sodium

>  <Catalog Number> (256)
S4263 

>  <Synonyms> (256)
N/A

>  <Target> (256)
Others

>  <Form> (256)
Sodium salt

>  <URL> (256)
http://www.selleckchem.com/products/efaproxiral-sodium.html

>  <CAS Number> (256)
170787-99-2

$$$$
Nicaraven.cdx
csChFnd80/07161817392D

 21 22  0  0  0  0  0  0  0  0999 V2000
    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
    8.4870    4.2000    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
    8.4870    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (257)
2082

>  <Formula> (257)
C15H16N4O2

>  <MolWeight> (257)
284.31314

>  <Item Name> (257)
Nicaraven

>  <Catalog Number> (257)
S4265 

>  <Synonyms> (257)
N/A

>  <Target> (257)
Others

>  <Form> (257)
Free Base

>  <URL> (257)
http://www.selleckchem.com/products/nicaraven.html

>  <CAS Number> (257)
79455-30-4

$$$$
BMS-833923 (XL139).cdx
csChFnd80/07161817392D

 36 40  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1202757-89-8

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HDAC

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1215493-56-3

$$$$
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csChFnd80/07161817392D

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104594-70-9

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356057-34-6

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1204144-28-4

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Transferase

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Free Base

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http://www.selleckchem.com/products/pf-04620110.html

>  <CAS Number> (278)
1109276-89-2

$$$$
Tenatoprazole.cdx
csChFnd80/07161817392D

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Tenatoprazole

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S4212

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N/A

>  <Target> (279)
Proton Pump

>  <Form> (279)
Free Base

>  <URL> (279)
http://www.selleckchem.com/products/tenatoprazole.html

>  <CAS Number> (279)
113712-98-4

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/07161817392D

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2249

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Refametinib (RDEA119, Bay 86-9766)

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S1089

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BAY 869766

>  <Target> (280)
MEK

>  <Form> (280)
Free Base

>  <URL> (280)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

>  <CAS Number> (280)
923032-37-5

$$$$
PF-3758309.cdx
csChFnd80/07161817392D

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PF-03758309

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PAK

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Free Base

>  <URL> (281)
http://www.selleckchem.com/products/pf-3758309.html

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898044-15-0

$$$$
BAY57-1293.cdx
csChFnd80/07161817392D

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http://www.selleckchem.com/products/bay-57-1293.html

>  <CAS Number> (282)
348086-71-5

$$$$
BMS863233.cdx
csChFnd80/07161817392D

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CDK

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http://www.selleckchem.com/products/xl413-bms-863233.html

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1169562-71-3

$$$$
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csChFnd80/07161817392D

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C18H30ClN3O5

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Bambuterol HCl

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S4277

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N/A

>  <Target> (284)
Adrenergic Receptor

>  <Form> (284)
Hydrochloride

>  <URL> (284)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (284)
81732-46-9

$$$$
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csChFnd80/07161817392D

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ERK

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Free Base

>  <URL> (285)
http://www.selleckchem.com/products/gdc-0994.html

>  <CAS Number> (285)
1453848-26-4

$$$$
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2287

>  <Formula> (286)
C52H79N5O12

>  <MolWeight> (286)
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S7091

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N/A

>  <Target> (286)
mTOR

>  <Form> (286)
Free Base

>  <URL> (286)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

>  <CAS Number> (286)
221877-54-9

$$$$
N6022.cdx
csChFnd80/07161817392D

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>  <Formula> (287)
C24H22N4O3

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N6022

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S7589

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N/A

>  <Target> (287)
Others

>  <Form> (287)
Free Base

>  <URL> (287)
http://www.selleckchem.com/products/n6022.html

>  <CAS Number> (287)
1208315-24-5

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/07161817392D

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2306

>  <Formula> (288)
C20H18FN5O2

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HSP990 (NVP-HSP990)

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N/A

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HSP (e.g. HSP90)

>  <Form> (288)
Free Base

>  <URL> (288)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

>  <CAS Number> (288)
934343-74-5

$$$$
NMS-P937.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (289)
2328

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>  <Item Name> (289)
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N/A

>  <Target> (289)
PLK

>  <Form> (289)
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>  <URL> (289)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

>  <CAS Number> (289)
1034616-18-6

$$$$
ARQ 621.cdx
csChFnd80/07161817392D

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1095253-39-6

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IAP

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1005342-46-0

$$$$
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254964-60-8

$$$$
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Cysteine Protease

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>  <URL> (293)
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110044-82-1

$$$$
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4727-31-5

$$$$
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C14H16ClF2N3S

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(R)-Nepicastat HCl

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S4926

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RS-25560-198 HCl

>  <Target> (298)
Hydroxylase

>  <Form> (298)
Hydrochloride

>  <URL> (298)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

>  <CAS Number> (298)
195881-94-8

$$$$
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csChFnd80/07161817392D

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2371

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C17H22N8O

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S7016

>  <Synonyms> (299)
N/A

>  <Target> (299)
PI3K

>  <Form> (299)
Free Base

>  <URL> (299)
http://www.selleckchem.com/products/vs-5584-sb2343.html

>  <CAS Number> (299)
1246560-33-7

$$$$
Disopyramide Phosphate.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (300)
2380

>  <Formula> (300)
C21H32N3O5P

>  <MolWeight> (300)
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>  <Item Name> (300)
Pentoxyverine Citrate

>  <Catalog Number> (300)
S4143

>  <Synonyms> (300)
Carbetapentane Citrate

>  <Target> (300)
AChR

>  <Form> (300)
Citrate

>  <URL> (300)
http://www.selleckchem.com/products/pentoxyverine-carbetapentane-citrate.html

>  <CAS Number> (300)
23142-01-0

$$$$
PF-06463922.cdx
csChFnd80/07161817392D

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ALK

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>  <URL> (301)
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>  <CAS Number> (301)
1454846-35-5

$$$$
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1392136-43-4

$$$$
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csChFnd80/07161817392D

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685898-44-6

$$$$
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477-47-4

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205678-31-5

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phosphatase

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2482

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C26H24N6O2S2

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SRT2104 (GSK2245840)

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S7792

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N/A

>  <Target> (319)
Sirtuin

>  <Form> (319)
Free Base

>  <URL> (319)
http://www.selleckchem.com/products/srt2104-gsk2245840.html

>  <CAS Number> (319)
1093403-33-8

$$$$
CB-839.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (320)
2491

>  <Formula> (320)
C26H24F3N7O3S

>  <MolWeight> (320)
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>  <Item Name> (320)
CB-839

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S7655

>  <Synonyms> (320)
N/A

>  <Target> (320)
Glutaminase

>  <Form> (320)
Free Base

>  <URL> (320)
http://www.selleckchem.com/products/cb-839.html

>  <CAS Number> (320)
1439399-58-2

$$$$
AT7519 HCl.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (321)
2509

>  <Formula> (321)
C16H18Cl3N5O2

>  <MolWeight> (321)
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>  <Item Name> (321)
AT7519 HCl

>  <Catalog Number> (321)
S7808

>  <Synonyms> (321)
N/A

>  <Target> (321)
CDK

>  <Form> (321)
Hydrochloride

>  <URL> (321)
http://www.selleckchem.com/products/at7519-hcl.html

>  <CAS Number> (321)
902135-91-5

$$$$
Licochalcone A.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (322)
2524

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C21H22O4

>  <MolWeight> (322)
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>  <Item Name> (322)
Licochalcone A

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S7828

>  <Synonyms> (322)
N/A

>  <Target> (322)
Estrogen/progestogen Receptor

>  <Form> (322)
Free Base

>  <URL> (322)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (322)
58749-22-7

$$$$
E3330.cdx
csChFnd80/07161817392D

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DNA/RNA Synthesis

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Free Base

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http://www.selleckchem.com/products/e3330.html

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136164-66-4

$$$$
Endoxifen HCl.cdx
csChFnd80/07161817392D

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Endoxifen HCl

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>  <Synonyms> (324)
N/A

>  <Target> (324)
Estrogen/progestogen Receptor

>  <Form> (324)
Hydrochloride

>  <URL> (324)
http://www.selleckchem.com/products/endoxifen-hcl.html

>  <CAS Number> (324)
1032008-74-4

$$$$
BI-847325.cdx
csChFnd80/07161817392D

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MEK

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Free Base

>  <URL> (325)
http://www.selleckchem.com/products/bi-847325.html

>  <CAS Number> (325)
1207293-36-4

$$$$
AZ5104.cdx
csChFnd80/07161817392D

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>  <Target> (326)
EGFR

>  <Form> (326)
Free Base

>  <URL> (326)
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>  <CAS Number> (326)
1421373-98-9

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Xanthohumol.cdx
csChFnd80/07161817392D

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Others

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Free Base

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1448724-09-1

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N/A

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NF-¦ÊB

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Free Base

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http://www.selleckchem.com/products/omaveloxolone-rta-408.html

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1474034-05-3

$$$$
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FGFR

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>  <URL> (333)
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59-14-3

$$$$
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1282512-48-4

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32619-42-4

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944118-01-8

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Histone Demethylase

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1431326-61-2

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NAMPT

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http://www.selleckchem.com/products/kd025-(slx-2119).html

>  <CAS Number> (359)
911417-87-3

$$$$
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csChFnd80/07161817392D

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C23H30Cl2N2O2

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>  <Item Name> (360)
GSK2879552 2HCl

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S7796

>  <Synonyms> (360)
N/A

>  <Target> (360)
Histone Demethylase

>  <Form> (360)
Dihydrochloride

>  <URL> (360)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

>  <CAS Number> (360)
1401966-69-5

$$$$
STA-21.cdx
csChFnd80/07161817392D

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>  <Synonyms> (361)
N/A

>  <Target> (361)
STAT

>  <Form> (361)
Free Base

>  <URL> (361)
http://www.selleckchem.com/products/sta-21.html

>  <CAS Number> (361)
111540-00-2

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/07161817392D

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>  <Synonyms> (362)
N/A

>  <Target> (362)
HIF

>  <Form> (362)
Free Base

>  <URL> (362)
http://www.selleckchem.com/products/daprodustat.html

>  <CAS Number> (362)
960539-70-2

$$$$
CC-223.cdx
csChFnd80/07161817392D

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>  <Formula> (363)
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>  <MolWeight> (363)
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>  <Synonyms> (363)
N/A

>  <Target> (363)
mTOR

>  <Form> (363)
Free Base

>  <URL> (363)
http://www.selleckchem.com/products/cc-223.html

>  <CAS Number> (363)
1228013-30-6

$$$$
BEC Hydrochloride.cdx
csChFnd80/07161817392D

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>  <Formula> (364)
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>  <Synonyms> (364)
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>  <Target> (364)
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hydrochloride salt

>  <URL> (364)
http://www.selleckchem.com/products/bec-hydrochloride.html

>  <CAS Number> (364)
222638-67-7

$$$$
AZD3965.cdx
csChFnd80/07161817392D

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AZD3965

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S7339

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N/A

>  <Target> (365)
Others

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Free Base

>  <URL> (365)
http://www.selleckchem.com/products/azd3965.html

>  <CAS Number> (365)
1448671-31-5

$$$$
ICI-118551(ICI-118,551).cdx
csChFnd80/07161817392D

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2704

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C17H28ClNO2

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ICI-118551(ICI-118,551) hydrochloride

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S8114

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ICI-118,551

>  <Target> (366)
Adrenergic Receptor

>  <Form> (366)
Hydrochloride

>  <URL> (366)
http://www.selleckchem.com/products/ici-118551-ici-118-551.html

>  <CAS Number> (366)
1217094-53-5

$$$$
MLN2480.cdx
csChFnd80/07161817392D

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2705

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C17H12Cl2F3N7O2S

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MLN2480

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>  <Synonyms> (367)
BIIB-024

>  <Target> (367)
Raf

>  <Form> (367)
Free Base

>  <URL> (367)
http://www.selleckchem.com/products/mln2480.html

>  <CAS Number> (367)
1096708-71-2

$$$$
LTX-315.cdx
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1345407-05-7

$$$$
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1448347-49-6

$$$$
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csChFnd80/07161817392D

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55837-20-2

$$$$
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p38 MAPK

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http://www.selleckchem.com/products/bms-582949.html

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623152-17-0

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ETC-1002.cdx
csChFnd80/07161817392D

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AMPK

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http://www.selleckchem.com/products/etc-1002.html

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738606-46-7

$$$$
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ERK

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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (378)
2872

>  <Formula> (378)
C27H34ClNO2S

>  <MolWeight> (378)
472.08236

>  <Item Name> (378)
MK-886 (L-663,536)

>  <Catalog Number> (378)
S8236

>  <Synonyms> (378)
L-663536

>  <Target> (378)
Lipoxygenase

>  <Form> (378)
Free Base

>  <URL> (378)
http://www.selleckchem.com/products/mk-886-l-663-536.html

>  <CAS Number> (378)
118414-82-7

$$$$
S4694 Alosetron Hydrochloride.cdx
csChFnd80/07161817392D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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 10 13  1  0  0  0  0
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 10 14  2  0  0  0  0
 17 18  1  0  0  0  0
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 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (379)
2907

>  <Formula> (379)
C17H19ClN4O

>  <MolWeight> (379)
330.81196

>  <Item Name> (379)
Alosetron Hydrochloride

>  <Catalog Number> (379)
S4694

>  <Synonyms> (379)
GR 68755C, GR 68755, GR 68755X, Lotronex, GR-68755, GR68755

>  <Target> (379)
5-HT Receptor

>  <Form> (379)
hydrochloride

>  <URL> (379)
http://www.selleckchem.com/products/alosetron-hydrochloride.html

>  <CAS Number> (379)
122852-69-1

$$$$
s4515 Ademetionine Ademetionine disulfate tosylate.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (380)
2922

>  <Formula> (380)
C22H34N6O16S4

>  <MolWeight> (380)
766.79596

>  <Item Name> (380)
Ademetionine disulfate tosylate 

>  <Catalog Number> (380)
S4515

>  <Synonyms> (380)
N/A

>  <Target> (380)
Others

>  <Form> (380)
Disulfate tosylate

>  <URL> (380)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

>  <CAS Number> (380)
97540-22-2

$$$$
TRx0237 (LMTX).cdx
csChFnd80/07161817392D

 30 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (381)
2931

>  <Formula> (381)
C18H27N3O6S3

>  <MolWeight> (381)
477.61848

>  <Item Name> (381)
TRx0237 (LMTX) mesylate

>  <Catalog Number> (381)
S7762

>  <Synonyms> (381)
N/A

>  <Target> (381)
Microtubule Associated

>  <Form> (381)
Dimesylate

>  <URL> (381)
http://www.selleckchem.com/products/trx0237-lmtx.html

>  <CAS Number> (381)
1236208-20-0

$$$$
MLR-1023.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (382)
2952

>  <Formula> (382)
C11H10N2O2

>  <MolWeight> (382)
202.2093

>  <Item Name> (382)
MLR-1023

>  <Catalog Number> (382)
S8321

>  <Synonyms> (382)
Tolimidone, CP-26154

>  <Target> (382)
Others

>  <Form> (382)
Free Base

>  <URL> (382)
http://www.selleckchem.com/products/mlr-1023.html

>  <CAS Number> (382)
41964-07-2

$$$$
LY3023414.cdx
csChFnd80/07161817392D

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>  <Target> (383)
Akt

>  <Form> (383)
Free Base

>  <URL> (383)
http://www.selleckchem.com/products/ly3023414.html

>  <CAS Number> (383)
1386874-06-1

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/07161817392D

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2956

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>  <MolWeight> (384)
445.4920632

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Selonsertib (GS-4997)

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S8292

>  <Synonyms> (384)
N/A

>  <Target> (384)
Caspase

>  <Form> (384)
Free Base

>  <URL> (384)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

>  <CAS Number> (384)
1448428-04-3

$$$$
S4706 Eugenol.cdx
csChFnd80/07161817392D

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2957

>  <Formula> (385)
C10H12O2

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Eugenol

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S4706

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4-Allyl-2-methoxyphenol, 4-Allylguaiacol, Eugenic acid, Allylguaiacol

>  <Target> (385)
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>  <Form> (385)
Free Base

>  <URL> (385)
http://www.selleckchem.com/products/eugenol.html

>  <CAS Number> (385)
97-53-0

$$$$
AT-406.cdx
csChFnd80/07161817392D

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2960

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C32H43N5O4

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S2754

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>  <Target> (386)
IAP

>  <Form> (386)
Free Base

>  <URL> (386)
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>  <CAS Number> (386)
1071992-99-8, 1071992-57-8 (HCl)

$$$$
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csChFnd80/07161817392D

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>  <Mol_ID> (387)
2977

>  <Formula> (387)
C28H29ClN4O3

>  <MolWeight> (387)
505.00786

>  <Item Name> (387)
LY333531 HCl

>  <Catalog Number> (387)
S7663

>  <Synonyms> (387)
Ruboxistaurin

>  <Target> (387)
PKC

>  <Form> (387)
hydrochloride

>  <URL> (387)
http://www.selleckchem.com/products/ly333531.html

>  <CAS Number> (387)
169939-93-9

$$$$
MK-4101.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (388)
2984

>  <Formula> (388)
C24H24F5N5O

>  <MolWeight> (388)
493.472276

>  <Item Name> (388)
MK-4101

>  <Catalog Number> (388)
S8200

>  <Synonyms> (388)
N/A

>  <Target> (388)
Hedgehog/Smoothened

>  <Form> (388)
Free Base

>  <URL> (388)
http://www.selleckchem.com/products/mk-4101.html

>  <CAS Number> (388)
935273-79-3

$$$$
S4704 D-(+)-Cellobiose.cdx
csChFnd80/07161817392D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  CFW   2 BOND_GSTEREO 5
M  CFW  13 BOND_GSTEREO 5
M  END
>  <Mol_ID> (389)
2986

>  <Formula> (389)
C12H22O11

>  <MolWeight> (389)
342.29648

>  <Item Name> (389)
D-(+)-Cellobiose

>  <Catalog Number> (389)
S4704

>  <Synonyms> (389)
Cellobiose|Cellose|Beta-Cellobiose|D-Cellobiose

>  <Target> (389)
Others

>  <Form> (389)
Free Base

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

>  <CAS Number> (389)
528-50-7

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (390)
2990

>  <Formula> (390)
C10H7NO3

>  <MolWeight> (390)
189.16748

>  <Item Name> (390)
Kynurenic acid

>  <Catalog Number> (390)
S4719

>  <Synonyms> (390)
Quinurenic acid|Kynurenate

>  <Target> (390)
Others

>  <Form> (390)
Free Base

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

>  <CAS Number> (390)
492-27-3

$$$$
S4728 3,3'-Diindolylmethane.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (391)
2991

>  <Formula> (391)
C17H14N2

>  <MolWeight> (391)
246.30646

>  <Item Name> (391)
3,3'-Diindolylmethane

>  <Catalog Number> (391)
S4728

>  <Synonyms> (391)
DIM

>  <Target> (391)
Others

>  <Form> (391)
Free Base

>  <URL> (391)
http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (391)
1968-05-4

$$$$
S4708 Palmitoylethanolamide.cdx
csChFnd80/07161817392D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (392)
2994

>  <Formula> (392)
C18H37NO2

>  <MolWeight> (392)
299.49188

>  <Item Name> (392)
Palmitoylethanolamide

>  <Catalog Number> (392)
S4708

>  <Synonyms> (392)
Palmidrol|N-palmitoylethanolamine

>  <Target> (392)
PPAR

>  <Form> (392)
Free Base

>  <URL> (392)
http://www.selleckchem.com/products/palmitoylethanolamide.html

>  <CAS Number> (392)
544-31-0

$$$$
S4721 L-Glutamic acid monosodium salt.cdx
csChFnd80/07161817392D

 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
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M  END
>  <Mol_ID> (393)
2995

>  <Formula> (393)
C5H8NNaO4

>  <MolWeight> (393)
169.11109

>  <Item Name> (393)
L-Glutamic acid monosodium salt

>  <Catalog Number> (393)
S4721

>  <Synonyms> (393)
Monosodium glutamate|MSG

>  <Target> (393)
Others

>  <Form> (393)
sodium salt

>  <URL> (393)
http://www.selleckchem.com/products/l-glutamic-acid-monosodium-salt.html

>  <CAS Number> (393)
142-47-2

$$$$
S4726 Lauric Acid.cdx
csChFnd80/07161817392D

 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
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M  END
>  <Mol_ID> (394)
3007

>  <Formula> (394)
C12H24O2

>  <MolWeight> (394)
200.31776

>  <Item Name> (394)
Lauric Acid

>  <Catalog Number> (394)
S4726

>  <Synonyms> (394)
N/A

>  <Target> (394)
Others

>  <Form> (394)
Free Base

>  <URL> (394)
http://www.selleckchem.com/products/lauric-acid.html

>  <CAS Number> (394)
143-07-7

$$$$
AZD8835.cdx
csChFnd80/07161817392D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (395)
3010

>  <Formula> (395)
C22H31N9O3

>  <MolWeight> (395)
469.54004

>  <Item Name> (395)
AZD8835

>  <Catalog Number> (395)
S7966

>  <Synonyms> (395)
N/A

>  <Target> (395)
PI3K

>  <Form> (395)
Free Base

>  <URL> (395)
http://www.selleckchem.com/products/azd8835.html

>  <CAS Number> (395)
1620576-64-8

$$$$
LOXO-101.cdx
csChFnd80/07161817392D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (396)
3015

>  <Formula> (396)
C21H24F2N6O6S

>  <MolWeight> (396)
526.5136664

>  <Item Name> (396)
LOXO-101(sulfate)

>  <Catalog Number> (396)
S7960

>  <Synonyms> (396)
N/A

>  <Target> (396)
Trk receptor

>  <Form> (396)
sulfate

>  <URL> (396)
http://www.selleckchem.com/products/loxo-101.html

>  <CAS Number> (396)
1223405-08-0

$$$$
BMS-911543.cdx
csChFnd80/07161817392D

 32 37  0  0  0  0  0  0  0  0999 V2000
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    3.7274    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3051    5.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5176    5.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3051    6.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3199    4.3863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7505    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3582    5.5190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4246    6.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6960    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750    1.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9117    2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2117    3.7330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8423    3.4419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2992    2.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792    5.0075    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
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  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23  6  1  0  0  0  0
 23 24  1  0  0  0  0
  4 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (397)
3023

>  <Formula> (397)
C23H28N8O

>  <MolWeight> (397)
432.52142

>  <Item Name> (397)
BMS-911543

>  <Catalog Number> (397)
S7144

>  <Synonyms> (397)
N/A

>  <Target> (397)
JAK

>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/bms-911543.html

>  <CAS Number> (397)
1271022-90-2

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/07161817392D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (398)
3028

>  <Formula> (398)
C6H12O5

>  <MolWeight> (398)
164.15648

>  <Item Name> (398)
2-Deoxy-D-glucose

>  <Catalog Number> (398)
S4701

>  <Synonyms> (398)
2-deoxyglucose, NSC 15193

>  <Target> (398)
Others

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

>  <CAS Number> (398)
154-17-6

$$$$
S4702 Sarcosine.cdx
csChFnd80/07161817392D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   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
    3.6373    2.1000    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (399)
3029

>  <Formula> (399)
C3H7NO2

>  <MolWeight> (399)
89.09318

>  <Item Name> (399)
Sarcosine

>  <Catalog Number> (399)
S4702

>  <Synonyms> (399)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (399)
NMDAR

>  <Form> (399)
Free Base

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

>  <CAS Number> (399)
107-97-1

$$$$
S4709 Latanoprost.cdx
csChFnd80/07161817392D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.2373    7.3057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4598    6.1253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3483    8.4038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6356    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772    6.4739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9670    4.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9892    7.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173    9.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3356    6.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507    4.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7356    6.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    3.3023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4356    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2415    3.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9814    2.2106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8356    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7487    1.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1324    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9356    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6267    0.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9916    2.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   10.4215    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  2  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
 13 16  1  6  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
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 26 29  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (400)
3032

>  <Formula> (400)
C26H40O5

>  <MolWeight> (400)
432.5928

>  <Item Name> (400)
Latanoprost

>  <Catalog Number> (400)
S4709

>  <Synonyms> (400)
Xalatan, PhXA41, PHXA-41

>  <Target> (400)
GPR

>  <Form> (400)
Free Base

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

>  <CAS Number> (400)
130209-82-4

$$$$
S4710 Picolinamide.cdx
csChFnd80/07161817392D

  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
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  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> (401)
3033

>  <Formula> (401)
C6H6N2O

>  <MolWeight> (401)
122.12464

>  <Item Name> (401)
Picolinamide

>  <Catalog Number> (401)
S4710

>  <Synonyms> (401)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (401)
PARP

>  <Form> (401)
Free Base

>  <URL> (401)
http://www.selleckchem.com/products/picolinamide.html

>  <CAS Number> (401)
1452-77-3

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/07161817392D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (402)
3034

>  <Formula> (402)
C15H14O6

>  <MolWeight> (402)
290.26806

>  <Item Name> (402)
(+)-Catechin

>  <Catalog Number> (402)
S4722

>  <Synonyms> (402)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (402)
Others

>  <Form> (402)
Free Base

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

>  <CAS Number> (402)
154-23-4

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/07161817392D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
    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
    8.4870    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
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C15H14O6

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290.26806

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(-)Epicatechin

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S4723

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L-Epicatechin, (-)-Epicatechol

>  <Target> (403)
Others

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/-epicatechin.html

>  <CAS Number> (403)
490-46-0

$$$$
Pamapimod.cdx
csChFnd80/07161817392D

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3044

>  <Formula> (404)
C19H20F2N4O4

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>  <Item Name> (404)
Pamapimod (R-1503, Ro4402257)

>  <Catalog Number> (404)
S8125

>  <Synonyms> (404)
N/A

>  <Target> (404)
p38 MAPK

>  <Form> (404)
Free Base

>  <URL> (404)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

>  <CAS Number> (404)
449811-01-2

$$$$
AS101.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (405)
3048

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C2H8Cl3NO2Te

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AS101

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S8301

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N/A

>  <Target> (405)
Others

>  <Form> (405)
Coordination Co

>  <URL> (405)
http://www.selleckchem.com/products/as101.html

>  <CAS Number> (405)
106566-58-9

$$$$
untitled.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (406)
3052

>  <Formula> (406)
C38H47ClN4O4

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659.25718

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NVP-CGM097

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S7875

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

>  <Target> (406)
E3 Ligase

>  <Form> (406)
Free Base

>  <URL> (406)
http://www.selleckchem.com/products/nvp-cgm097.html

>  <CAS Number> (406)
1313363-54-0

$$$$
BFH772.cdx
csChFnd80/07161817392D

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BFH 772, BFH-772

>  <Target> (407)
VEGFR

>  <Form> (407)
Free Base

>  <URL> (407)
http://www.selleckchem.com/products/bfh772.html

>  <CAS Number> (407)
890128-81-1

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Histone Methyltransferase

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Free Base

>  <URL> (408)
http://www.selleckchem.com/products/cpi-1205.html

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1621862-70-1

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csChFnd80/07161817392D

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>  <Target> (409)
Estrogen/progestogen Receptor

>  <Form> (409)
Free Base

>  <URL> (409)
http://www.selleckchem.com/products/azd9496.html

>  <CAS Number> (409)
1639042-08-2

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csChFnd80/07161817392D

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PARP

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dihydrochloride

>  <URL> (410)
http://www.selleckchem.com/products/bgp-15.html

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66611-37-8

$$$$
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>  <Synonyms> (411)
Tucatinib

>  <Target> (411)
HER2

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/arry-380-ont-380.html

>  <CAS Number> (411)
937263-43-9

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (412)
3071

>  <Formula> (412)
C30H22F2N6O3

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552.5308864

>  <Item Name> (412)
LY2801653 (Merestinib)

>  <Catalog Number> (412)
S7014

>  <Synonyms> (412)
N/A

>  <Target> (412)
c-Met

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/ly2801653-merestinib.html

>  <CAS Number> (412)
1206799-15-6

$$$$
GDC-0084.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (413)
3072

>  <Formula> (413)
C18H22N8O2

>  <MolWeight> (413)
382.41968

>  <Item Name> (413)
GDC-0084

>  <Catalog Number> (413)
S8163

>  <Synonyms> (413)
N/A

>  <Target> (413)
PI3K

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/gdc-0084.html

>  <CAS Number> (413)
1382979-44-3

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (414)
3079

>  <Formula> (414)
C36H30O16

>  <MolWeight> (414)
718.6138

>  <Item Name> (414)
Salvianolic acid B

>  <Catalog Number> (414)
S4735

>  <Synonyms> (414)
Lithospermate B

>  <Target> (414)
Others

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/salvianolic-acid-b.html

>  <CAS Number> (414)
121521-90-2

$$$$
CC-115.cdx
csChFnd80/07161817392D

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CC-115

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S7891

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N/A

>  <Target> (415)
DNA-PK

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/cc-115.html

>  <CAS Number> (415)
1228013-15-7

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/07161817392D

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>  <Formula> (416)
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>  <Item Name> (416)
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S8401

>  <Synonyms> (416)
N/A

>  <Target> (416)
FGFR

>  <Form> (416)
Free Base

>  <URL> (416)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

>  <CAS Number> (416)
1346242-81-6

$$$$
Y-39983 HCl.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (417)
3091

>  <Formula> (417)
C16H18Cl2N4O

>  <MolWeight> (417)
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>  <Item Name> (417)
Y-39983 HCl

>  <Catalog Number> (417)
S7935

>  <Synonyms> (417)
Y-33075 HCl

>  <Target> (417)
ROCK

>  <Form> (417)
dihydrochloride

>  <URL> (417)
http://www.selleckchem.com/products/y-39983-hcl.html

>  <CAS Number> (417)
173897-44-4

$$$$
APR-246 (PRIMA-1MET).cdx
csChFnd80/07161817392D

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p53

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>  <URL> (418)
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>  <CAS Number> (418)
5291-32-7

$$$$
AZD3293 (LY3314814).cdx
csChFnd80/07161817392D

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>  <Formula> (419)
C26H28N4O

>  <MolWeight> (419)
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>  <Synonyms> (419)
N/A

>  <Target> (419)
BACE

>  <Form> (419)
Free Base

>  <URL> (419)
http://www.selleckchem.com/products/azd3293-ly3314814.html

>  <CAS Number> (419)
1383982-64-6

$$$$
GSK2269557.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (420)
3103

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C26H28N6O

>  <MolWeight> (420)
440.54012

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GSK2269557

>  <Catalog Number> (420)
S7937

>  <Synonyms> (420)
Nemiralisib

>  <Target> (420)
PI3K

>  <Form> (420)
Free Base

>  <URL> (420)
http://www.selleckchem.com/products/gsk2269557.html

>  <CAS Number> (420)
1254036-71-9

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (421)
3107

>  <Formula> (421)
C10H9NaO4

>  <MolWeight> (421)
216.16583

>  <Item Name> (421)
Sodium ferulate

>  <Catalog Number> (421)
S4740

>  <Synonyms> (421)
Ferulic acid sodium salt

>  <Target> (421)
Thrombin

>  <Form> (421)
Sodium salt

>  <URL> (421)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

>  <CAS Number> (421)
24276-84-4

$$$$
S4737 Psoralen.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (422)
3110

>  <Formula> (422)
C11H6O3

>  <MolWeight> (422)
186.16354

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Psoralen

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S4737

>  <Synonyms> (422)
psoralene, Ficusin, Furocoumarin

>  <Target> (422)
DNA/RNA Synthesis

>  <Form> (422)
Free Base

>  <URL> (422)
http://www.selleckchem.com/products/psoralen.html

>  <CAS Number> (422)
66-97-7

$$$$
LY3039478.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (423)
3112

>  <Formula> (423)
C22H23F3N4O4

>  <MolWeight> (423)
464.4376296

>  <Item Name> (423)
LY3039478

>  <Catalog Number> (423)
S7169

>  <Synonyms> (423)
N/A

>  <Target> (423)
Gamma-secretase

>  <Form> (423)
Free Base

>  <URL> (423)
http://www.selleckchem.com/products/ly3039478.html

>  <CAS Number> (423)
1421438-81-4

$$$$
S49076.cdx
csChFnd80/07161817392D

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3116

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c-Met  & FGFR

>  <Form> (424)
Free Base

>  <URL> (424)
http://www.selleckchem.com/products/s49076.html

>  <CAS Number> (424)
1265965-22-7

$$$$
LCI699.cdx
csChFnd80/07161817392D

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3117

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C13H10FN3

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227.2370032

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LCI699

>  <Catalog Number> (425)
S7456

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Osilodrostat

>  <Target> (425)
Hydroxylase

>  <Form> (425)
Free Base

>  <URL> (425)
http://www.selleckchem.com/products/lci699.html

>  <CAS Number> (425)
928134-65-0

$$$$
TAK-063.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (426)
3119

>  <Formula> (426)
C23H17FN6O2

>  <MolWeight> (426)
428.4184832

>  <Item Name> (426)
TAK-063

>  <Catalog Number> (426)
S8459

>  <Synonyms> (426)
Balipodect

>  <Target> (426)
PDE

>  <Form> (426)
Free Base

>  <URL> (426)
http://www.selleckchem.com/products/tak-063.html

>  <CAS Number> (426)
1238697-26-1

$$$$
1400W.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (427)
3120

>  <Formula> (427)
C10H17Cl2N3

>  <MolWeight> (427)
250.16808

>  <Item Name> (427)
1400W 2HCl

>  <Catalog Number> (427)
S8337

>  <Synonyms> (427)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (427)
Others

>  <Form> (427)
dihydrochloride

>  <URL> (427)
http://www.selleckchem.com/products/1400w.html

>  <CAS Number> (427)
214358-33-5

$$$$
ARQ 092.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (428)
3121

>  <Formula> (428)
C27H25ClN6

>  <MolWeight> (428)
468.9806

>  <Item Name> (428)
Miransertib (ARQ 092)HCl

>  <Catalog Number> (428)
S8339

>  <Synonyms> (428)
Miransertib

>  <Target> (428)
Akt

>  <Form> (428)
hydrochloride

>  <URL> (428)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (428)
1313883-00-9

$$$$
Genistin.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (429)
3122

>  <Formula> (429)
C21H20O10

>  <MolWeight> (429)
432.3775

>  <Item Name> (429)
Genistin (Genistoside)

>  <Catalog Number> (429)
S2301

>  <Synonyms> (429)
Genistoside, Genistine, Genistein 7-glucoside, Genistein glucoside

>  <Target> (429)
Others

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/Genistin(Genistoside).html

>  <CAS Number> (429)
529-59-9

$$$$
RRx-001.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (430)
3133

>  <Formula> (430)
C5H6BrN3O5

>  <MolWeight> (430)
268.02224

>  <Item Name> (430)
RRx-001

>  <Catalog Number> (430)
S8405

>  <Synonyms> (430)
N/A

>  <Target> (430)
Dehydrogenase

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/rrx-001.html

>  <CAS Number> (430)
925206-65-1

$$$$
S8275-eFT-508.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (431)
3135

>  <Formula> (431)
C17H20N6O2

>  <MolWeight> (431)
340.3797

>  <Item Name> (431)
eFT-508 (eFT508)

>  <Catalog Number> (431)
S8275

>  <Synonyms> (431)
N/A

>  <Target> (431)
MNK

>  <Form> (431)
Free Base

>  <URL> (431)
http://www.selleckchem.com/products/eft-508.html

>  <CAS Number> (431)
1849590-01-7

$$$$
S4743 Wogonin.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (432)
3137

>  <Formula> (432)
C16H12O5

>  <MolWeight> (432)
284.26348

>  <Item Name> (432)
Wogonin

>  <Catalog Number> (432)
S4743

>  <Synonyms> (432)
Vogonin

>  <Target> (432)
CDK

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/wogonin.html

>  <CAS Number> (432)
632-85-9

$$$$
CC-122.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (433)
3146

>  <Formula> (433)
C14H14N4O3

>  <MolWeight> (433)
286.28596

>  <Item Name> (433)
Avadomide(CC-122)

>  <Catalog Number> (433)
S7892

>  <Synonyms> (433)
N/A

>  <Target> (433)
E3 Ligase

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/cc-122.html

>  <CAS Number> (433)
1015474-32-4

$$$$
S4752 Corticosterone.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (434)
3150

>  <Formula> (434)
C21H30O4

>  <MolWeight> (434)
346.4605

>  <Item Name> (434)
Corticosterone

>  <Catalog Number> (434)
S4752

>  <Synonyms> (434)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (434)
Glucocorticoid Receptor

>  <Form> (434)
Free Base

>  <URL> (434)
http://www.selleckchem.com/products/corticosterone.html

>  <CAS Number> (434)
50-22-6

$$$$
BAY 1217389.cdx
csChFnd80/07161817392D

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Kinesin

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Free Base

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http://www.selleckchem.com/products/bay-1217389.html

>  <CAS Number> (435)
1554458-53-5

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/07161817392D

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EGFR

>  <Form> (436)
Free Base

>  <URL> (436)
http://www.selleckchem.com/products/naquotinib-asp8273.html

>  <CAS Number> (436)
1448232-80-1

$$$$
LXR-623 (WAY-252623).cdx
csChFnd80/07161817392D

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>  <MolWeight> (437)
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>  <Item Name> (437)
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S8390

>  <Synonyms> (437)
N/A

>  <Target> (437)
Liver X Receptor

>  <Form> (437)
Free Base

>  <URL> (437)
http://www.selleckchem.com/products/lxr-623-way-252623.html

>  <CAS Number> (437)
875787-07-8

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/07161817392D

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ONO-4059 (GS-4059) hydrochloride

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N/A

>  <Target> (438)
BTK

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hydrochloride

>  <URL> (438)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

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1439901-97-9

$$$$
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>  <Target> (439)
Epigenetic Reader Domain

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Free Base

>  <URL> (439)
http://www.selleckchem.com/products/mivebresib-abbv-075.html

>  <CAS Number> (439)
1445993-26-9

$$$$
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HDAC

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1316215-12-9

$$$$
E7449.cdx
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>  <CAS Number> (441)
1140964-99-3

$$$$
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Rp-5264

>  <Target> (442)
PI3K

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/tgr-1202.html

>  <CAS Number> (442)
1532533-67-7

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/07161817392D

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>  <Formula> (443)
C26H31ClN6O2

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>  <Item Name> (443)
Nazartinib (EGF816, NVS-816)

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S7824

>  <Synonyms> (443)
N/A

>  <Target> (443)
EGFR

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

>  <CAS Number> (443)
1508250-71-2

$$$$
CC-930.cdx
csChFnd80/07161817392D

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>  <Item Name> (444)
Tanzisertib(CC-930)

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S8490

>  <Synonyms> (444)
JNK-930|JNKI-1

>  <Target> (444)
JNK

>  <Form> (444)
hydrochloride

>  <URL> (444)
http://www.selleckchem.com/products/cc-930.html

>  <CAS Number> (444)
899805-25-5 (free base)

$$$$
BLU-554.cdx
csChFnd80/07161817392D

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C24H24Cl2N4O4

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>  <Item Name> (445)
BLU-554

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FGFR

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/blu-554.html

>  <CAS Number> (445)
1707289-21-1

$$$$
GSK2256098.cdx
csChFnd80/07161817392D

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FAK

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Free Base

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1224887-10-8

$$$$
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Sirtuin activator

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hydrochloride

>  <URL> (447)
http://www.selleckchem.com/products/srt3025.html

>  <CAS Number> (447)
2070015-26-6

$$$$
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PLK

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>  <URL> (448)
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>  <CAS Number> (448)
1338806-73-7

$$$$
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>  <Formula> (452)
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>  <MolWeight> (452)
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>  <Item Name> (452)
TAS-102

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S8539

>  <Synonyms> (452)
N/A

>  <Target> (452)
others

>  <Form> (452)
hydrochloride

>  <URL> (452)
http://www.selleckchem.com/products/tas-102.html

>  <CAS Number> (452)
733030-01-8

$$$$
Verubecestat (MK-8931).cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (453)
3220

>  <Formula> (453)
C17H17F2N5O3S

>  <MolWeight> (453)
409.4103864

>  <Item Name> (453)
Verubecestat (MK-8931)

>  <Catalog Number> (453)
S8564

>  <Synonyms> (453)
N/A

>  <Target> (453)
BACE2 ,BACE1

>  <Form> (453)
free base

>  <URL> (453)
http://www.selleckchem.com/products/verubecestat.html

>  <CAS Number> (453)
1286770-55-5

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (454)
3234

>  <Formula> (454)
C33H29F2N5O4S

>  <MolWeight> (454)
629.6762664

>  <Item Name> (454)
Sitravatinib (MGCD516)

>  <Catalog Number> (454)
S8573

>  <Synonyms> (454)
MG-516

>  <Target> (454)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (454)
free base

>  <URL> (454)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

>  <CAS Number> (454)
1123837-84-2

$$$$
A-317491.cdx
csChFnd80/07161817392D

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>  <Formula> (459)
C30H24N8O2

>  <MolWeight> (459)
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IPI-549

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S8330

>  <Synonyms> (459)
N/A

>  <Target> (459)
PI3K¦Ã

>  <URL> (459)
http://www.selleckchem.com/products/ipi-549.html

>  <CAS Number> (459)
1693758-51-8

$$$$
GBT440.cdx
csChFnd80/07161817392D

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3245

>  <Formula> (460)
C19H19N3O3

>  <MolWeight> (460)
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>  <Item Name> (460)
Voxelotor(GBT440, GTx011)

>  <Catalog Number> (460)
S8540

>  <Synonyms> (460)
N/A

>  <Target> (460)
CYP 1A2, 2C8, 2C9, 2C19, 2D6,3A4

>  <Form> (460)
free base

>  <URL> (460)
http://www.selleckchem.com/products/gbt440.html

>  <CAS Number> (460)
1446321-46-5

$$$$
PF-06273340.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (461)
3251

>  <Formula> (461)
C23H22ClN7O3

>  <MolWeight> (461)
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>  <Item Name> (461)
PF-06273340

>  <Catalog Number> (461)
S8407

>  <Synonyms> (461)
N/A

>  <Target> (461)
TrkC,TrkB,TrkA

>  <Form> (461)
free base

>  <URL> (461)
http://www.selleckchem.com/products/pf-06273340.html

>  <CAS Number> (461)
1402438-74-7

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (462)
3256

>  <Formula> (462)
C19H17N5O3

>  <MolWeight> (462)
363.36998

>  <Item Name> (462)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Catalog Number> (462)
S8581

>  <Synonyms> (462)
N/A

>  <Target> (462)
PI3K¦Á 

>  <Form> (462)
Free base

>  <URL> (462)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

>  <CAS Number> (462)
1268454-23-4

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (463)
3258

>  <Formula> (463)
C2HCl2NaO2

>  <MolWeight> (463)
150.92391

>  <Item Name> (463)
Sodium dichloroacetate (DCA)

>  <Catalog Number> (463)
S8615

>  <Synonyms> (463)
bichloroacetic acid, BCA

>  <Target> (463)
PDK

>  <Form> (463)
sodium salt

>  <URL> (463)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

>  <CAS Number> (463)
2156-56-1

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (464)
3260

>  <Formula> (464)
C33H44FN5O3

>  <MolWeight> (464)
577.7325632

>  <Item Name> (464)
Belizatinib (TSR-011)

>  <Catalog Number> (464)
S8511

>  <Synonyms> (464)
N/A

>  <Target> (464)
ALK,TRK

>  <Form> (464)
free base

>  <URL> (464)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

>  <CAS Number> (464)
1357920-84-3

$$$$
BGB-283.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (465)
3264

>  <Formula> (465)
C25H17F3N4O3

>  <MolWeight> (465)
478.4226896

>  <Item Name> (465)
Lifirafenib (BGB-283)

>  <Catalog Number> (465)
S7926

>  <Synonyms> (465)
Beigene-283

>  <Target> (465)
RAF,EGFR

>  <Form> (465)
free base

>  <URL> (465)
http://www.selleckchem.com/products/bgb-283-bgb283.html

>  <CAS Number> (465)
1446090-79-4

$$$$
PRN1371.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (466)
3267

>  <Formula> (466)
C26H30Cl2N6O4

>  <MolWeight> (466)
561.4602

>  <Item Name> (466)
PRN1371

>  <Catalog Number> (466)
S8578

>  <Synonyms> (466)
N/A

>  <Target> (466)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (466)
free base

>  <URL> (466)
http://www.selleckchem.com/products/prn1371.html

>  <CAS Number> (466)
1802929-43-6

$$$$
AG-881.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (467)
3268

>  <Formula> (467)
C14H13ClF6N6

>  <MolWeight> (467)
414.7366392

>  <Item Name> (467)
Vorasidenib (AG-881)

>  <Catalog Number> (467)
S8611

>  <Synonyms> (467)
N/A

>  <Target> (467)
IDH1,IDH2 

>  <Form> (467)
free base

>  <URL> (467)
http://www.selleckchem.com/products/ag-881.html

>  <CAS Number> (467)
1644545-52-7

$$$$
S 38093.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (468)
3269

>  <Formula> (468)
C17H24N2O2

>  <MolWeight> (468)
288.38466

>  <Item Name> (468)
S 38093

>  <Catalog Number> (468)
S8598

>  <Synonyms> (468)
N/A

>  <Target> (468)
human H3 receptor,mouse H3 receptor,rat H3 r

>  <Form> (468)
free base

>  <URL> (468)
http://www.selleckchem.com/products/S-38093.html

>  <CAS Number> (468)
862896-30-8

$$$$
Ensartinib (X-396).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (469)
3270

>  <Formula> (469)
C26H27Cl2FN6O3

>  <MolWeight> (469)
561.4353832

>  <Item Name> (469)
Ensartinib (X-396)

>  <Catalog Number> (469)
S8230

>  <Synonyms> (469)
N/A

>  <Target> (469)
Met,ALK 

>  <Form> (469)
free base

>  <URL> (469)
http://www.selleckchem.com/products/ensartinib-x-396.html

>  <CAS Number> (469)
1370651-20-9

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (470)
3271

>  <Formula> (470)
C29H44N8O3

>  <MolWeight> (470)
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>  <Item Name> (470)
Gilteritinib (ASP2215)

>  <Catalog Number> (470)
S7754

>  <Synonyms> (470)
N/A

>  <Target> (470)
FLT3,Axl 

>  <Form> (470)
free base

>  <URL> (470)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

>  <CAS Number> (470)
1254053-43-4

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/07161817392D

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>  <Mol_ID> (471)
3273

>  <Formula> (471)
C22H19FN4O2

>  <MolWeight> (471)
390.4102632

>  <Item Name> (471)
Tucidinostat (Chidamide)

>  <Catalog Number> (471)
S8567 

>  <Synonyms> (471)
HBI-8000, CS-055

>  <Target> (471)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (471)
free base

>  <URL> (471)
http://www.selleckchem.com/products/tucidinostat-chidamide.html

>  <CAS Number> (471)
743420-02-2

$$$$
S4757 Dihydrotestosterone.cdx
csChFnd80/07161817392D

 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
    4.8469    3.5124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2607    3.5124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0595    1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    2.8168    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8469    4.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2607    4.9075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5950    3.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    1.4065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4406    3.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    4.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    5.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5950    5.3485    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4010    4.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    2.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0436    6.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    4.2194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    2.1058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2607    2.1174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2607    6.3075    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 21  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 23  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  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
 10 24  1  6  0  0  0
 11 17  1  0  0  0  0
 14 18  1  1  0  0  0
 14 15  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
  7 25  1  1  0  0  0
M  END
>  <Mol_ID> (472)
3285

>  <Formula> (472)
C19H30O2

>  <MolWeight> (472)
290.4403

>  <Item Name> (472)
Dihydrotestosterone (DHT)

>  <Catalog Number> (472)
S4757

>  <Synonyms> (472)
androstanolone, stanolone, 5¦Á-DHT

>  <Target> (472)
androgen receptor

>  <Form> (472)
free base

>  <URL> (472)
http://www.selleckchem.com/products/dihydrotestosterone.html

>  <CAS Number> (472)
521-18-6

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/07161817392D

 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
    9.6994    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9906    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  2  0  0  0  0
  5  2  1  1  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (473)
3287

>  <Formula> (473)
C18H16O8

>  <MolWeight> (473)
360.31484

>  <Item Name> (473)
Rosmarinic acid

>  <Catalog Number> (473)
S3612

>  <Synonyms> (473)
Rosemary acid

>  <Target> (473)
IKK ¦Â

>  <Form> (473)
free base

>  <URL> (473)
http://www.selleckchem.com/products/rosmarinic-acid.html

>  <CAS Number> (473)
20283-92-5

$$$$
S3605 Borneol.cdx
csChFnd80/07161817392D

 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
    1.7767    3.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028    1.1012    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963    2.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9219    4.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    4.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473    1.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8439    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4154    1.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7698    3.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
M  END
>  <Mol_ID> (474)
3290

>  <Formula> (474)
C10H18O

>  <MolWeight> (474)
154.24932

>  <Item Name> (474)
Borneol

>  <Catalog Number> (474)
S3605

>  <Synonyms> (474)
N/A

>  <Target> (474)
TRPM8

>  <Form> (474)
free base

>  <URL> (474)
http://www.selleckchem.com/products/borneol.html

>  <CAS Number> (474)
507-70-0

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/07161817392D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1810    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4246    0.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  3  1  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
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (475)
3310

>  <Formula> (475)
C5H12N2S2

>  <MolWeight> (475)
164.29218

>  <Item Name> (475)
Pyrrolidinedithiocarbamate ammonium

>  <Catalog Number> (475)
S3633

>  <Synonyms> (475)
APDC, PDTC

>  <Target> (475)
NF-¦ÊB

>  <Form> (475)
ammonium salt

>  <URL> (475)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

>  <CAS Number> (475)
5108-96-3

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/07161817392D

 65 69  0  0  0  0  0  0  0  0999 V2000
   13.3576    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3576    5.5532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7147    4.8745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4287    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8752    9.1247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9289    5.5710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0894    6.9818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    3.4637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    7.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    7.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3216    7.6783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9289    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    5.5888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4287    4.8745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.7147    3.4637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5720    7.6783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0894    5.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    9.8032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5720    9.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    6.9818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2143    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607    9.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1434    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2328   11.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5720    4.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0007    9.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0720   12.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    6.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    5.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    6.9996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1074   11.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3576    4.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4637    0.0000 O   0  0  0  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
    7.9110    1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3756   11.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7863    8.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289    4.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542    6.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    2.1422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7147    2.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8607    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
 13  1  2  0  0  0  0
 20  1  1  0  0  0  0
  2  3  1  0  0  0  0
 31  2  1  0  0  0  0
  2 49  1  1  0  0  0
  8  2  1  0  0  0  0
 34  3  1  0  0  0  0
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M  END
>  <Mol_ID> (476)
3311

>  <Formula> (476)
C42H68N2O16

>  <MolWeight> (476)
856.99312

>  <Item Name> (476)
Diammonium Glycyrrhizinate

>  <Catalog Number> (476)
S3622

>  <Synonyms> (476)
N/A

>  <Target> (476)
Others

>  <Form> (476)
ammonium salt 

>  <URL> (476)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (476)
79165-06-3

$$$$
S3610 Cordycepin.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (477)
3319

>  <Formula> (477)
C10H13N5O3

>  <MolWeight> (477)
251.24192

>  <Item Name> (477)
Cordycepin

>  <Catalog Number> (477)
S3610

>  <Synonyms> (477)
N/A

>  <Target> (477)
Others

>  <Form> (477)
free base

>  <URL> (477)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (477)
73-03-0

$$$$
S3625 Tyramine.cdx
csChFnd80/07161817392D

 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> (478)
3322

>  <Formula> (478)
C8H11NO

>  <MolWeight> (478)
137.17904

>  <Item Name> (478)
Tyramine

>  <Catalog Number> (478)
S3625

>  <Synonyms> (478)
4-hydroxyphenethylamine, para-tyramine, mydrial, uteramin

>  <Target> (478)
Others

>  <Form> (478)
free base

>  <URL> (478)
http://www.selleckchem.com/products/tyramine.html

>  <CAS Number> (478)
51-67-2

$$$$
S3676 Carbendazim.cdx
csChFnd80/07161817392D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (479)
3339

>  <Formula> (479)
C9H9N3O2

>  <MolWeight> (479)
191.18666

>  <Item Name> (479)
Carbendazim

>  <Catalog Number> (479)
S3676

>  <Synonyms> (479)
Mercarzole, Carbendazole

>  <Target> (479)
Others

>  <Form> (479)
free base

>  <URL> (479)
http://www.selleckchem.com/products/carbendazim.html

>  <CAS Number> (479)
10605-21-7

$$$$
S3668 Thymopentin.cdx
csChFnd80/07161817392D

 48 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (480)
3343

>  <Formula> (480)
C30H49N9O9

>  <MolWeight> (480)
679.76496

>  <Item Name> (480)
Thymopentin

>  <Catalog Number> (480)
S3668

>  <Synonyms> (480)
TP5

>  <Target> (480)
Immunology & Inflammation related

>  <Form> (480)
free base

>  <URL> (480)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (480)
69558-55-0

$$$$
S3674 Levamlodipine.cdx
csChFnd80/07161817392D

 28 29  0  0  0  0  0  0  0  0999 V2000
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   10.8341    2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  8  1  0  0  0  0
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M  END
>  <Mol_ID> (481)
3347

>  <Formula> (481)
C20H25ClN2O5

>  <MolWeight> (481)
408.8759

>  <Item Name> (481)
Levamlodipine

>  <Catalog Number> (481)
S3674

>  <Synonyms> (481)
S-amlodipine

>  <Target> (481)
calcium channel

>  <Form> (481)
free base

>  <URL> (481)
http://www.selleckchem.com/products/levamlodipine.html

>  <CAS Number> (481)
103129-82-4

$$$$
S3713 Moxidectin.cdx
csChFnd80/07161817392D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (482)
3355

>  <Formula> (482)
C37H53NO8

>  <MolWeight> (482)
639.81862

>  <Item Name> (482)
Moxidectin

>  <Catalog Number> (482)
S3713

>  <Synonyms> (482)
milbemycin B

>  <Target> (482)
Antifection

>  <Form> (482)
free base

>  <URL> (482)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (482)
113507-06-5

$$$$
S3656 Piribedil.cdx
csChFnd80/07161817392D

 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
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M  END
>  <Mol_ID> (483)
3375

>  <Formula> (483)
C16H18N4O2

>  <MolWeight> (483)
298.33972

>  <Item Name> (483)
Piribedil

>  <Catalog Number> (483)
S3656

>  <Synonyms> (483)
Trivastal, Trivastan

>  <Target> (483)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (483)
free base

>  <URL> (483)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (483)
3605-01-4

$$$$
S3657 Promestriene.cdx
csChFnd80/07161817392D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (484)
3376

>  <Formula> (484)
C22H32O2

>  <MolWeight> (484)
328.48828

>  <Item Name> (484)
Promestriene

>  <Catalog Number> (484)
S3657

>  <Synonyms> (484)
3-propyl ethyl, 17B-methyl estradiol

>  <Target> (484)
Estrogen Receptor

>  <Form> (484)
free base

>  <URL> (484)
http://www.selleckchem.com/products/promestriene.html

>  <CAS Number> (484)
39219-28-8

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/07161817392D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (485)
3377

>  <Formula> (485)
C12H11N5O

>  <MolWeight> (485)
241.24864

>  <Item Name> (485)
O6-Benzylguanine

>  <Catalog Number> (485)
S3658

>  <Synonyms> (485)
O6-BG

>  <Target> (485)
O6-alkylguanine DNA alkyltransferase

>  <Form> (485)
free base

>  <URL> (485)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (485)
19916-73-5

$$$$
S3720 Elafibranor.cdx
csChFnd80/07161817392D

 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> (486)
3396

>  <Formula> (486)
C22H24O4S

>  <MolWeight> (486)
384.48856

>  <Item Name> (486)
Elafibranor

>  <Catalog Number> (486)
S3720

>  <Synonyms> (486)
GFT505

>  <Target> (486)
PPAR¦Á,PPAR¦Ä

>  <Form> (486)
free base

>  <URL> (486)
http://www.selleckchem.com/products/elafibranor.html

>  <CAS Number> (486)
923978-27-2

$$$$
S3721 Bilastine.cdx
csChFnd80/07161817392D

 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
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   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
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   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
 19 18  1  0  0  0  0
 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
 26 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (487)
3397

>  <Formula> (487)
C28H37N3O3

>  <MolWeight> (487)
463.61168

>  <Item Name> (487)
Bilastine

>  <Catalog Number> (487)
S3721

>  <Synonyms> (487)
N/A

>  <Target> (487)
H1 receptor

>  <Form> (487)
free base

>  <URL> (487)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (487)
202189-78-4

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/07161817392D

 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
    4.9002    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
>  <Mol_ID> (488)
3421

>  <Formula> (488)
C14H12O2

>  <MolWeight> (488)
212.24388

>  <Item Name> (488)
4-Biphenylacetic acid

>  <Catalog Number> (488)
S3685

>  <Synonyms> (488)
BPA

>  <Target> (488)
Immunology & Inflammation related

>  <Form> (488)
free base

>  <URL> (488)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (488)
5728-52-9

$$$$
S3715 Boldenone Undecylenate.cdx
csChFnd80/07161817392D

 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
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    7.0267    8.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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> (489)
3429

>  <Formula> (489)
C30H44O3

>  <MolWeight> (489)
452.66856

>  <Item Name> (489)
Boldenone Undecylenate

>  <Catalog Number> (489)
S3715

>  <Synonyms> (489)
N/A

>  <Target> (489)
androgen receptor

>  <Form> (489)
free base

>  <URL> (489)
http://www.selleckchem.com/products/boldenone-undecylenate.html

>  <CAS Number> (489)
13103-34-9

$$$$
Cinchonine.cdx
csChFnd80/07161817392D

 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
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 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (490)
3446

>  <Formula> (490)
C19H22N2O

>  <MolWeight> (490)
294.39078

>  <Catalog Number> (490)
S2283

>  <Synonyms> (490)
N/A

>  <Target> (490)
Others

>  <Form> (490)
free base

>  <URL> (490)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (490)
118-10-5

$$$$
S3666 Ilaprazole.cdx
csChFnd80/07161817392D

 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
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M  END
>  <Mol_ID> (491)
3449

>  <Formula> (491)
C19H18N4O2S

>  <MolWeight> (491)
366.43682

>  <Item Name> (491)
Ilaprazole

>  <Catalog Number> (491)
S3666

>  <Synonyms> (491)
IY-81149

>  <Target> (491)
Proton pump,TOPK 

>  <Form> (491)
free base

>  <URL> (491)
http://www.selleckchem.com/products/ilaprazole.html

>  <CAS Number> (491)
172152-36-2

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/07161817392D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (492)
3472

>  <Formula> (492)
C26H45NO6S

>  <MolWeight> (492)
499.7036

>  <Item Name> (492)
Tauroursodeoxycholic Acid

>  <Catalog Number> (492)
S3654

>  <Synonyms> (492)
N/A

>  <Target> (492)
Others

>  <Form> (492)
free base

>  <URL> (492)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

>  <CAS Number> (492)
14605-22-2

$$$$
S3941 Pinocembrin.cdx
csChFnd80/07161817392D

 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
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M  END
>  <Mol_ID> (493)
3477

>  <Formula> (493)
C15H12O4

>  <MolWeight> (493)
256.25338

>  <Item Name> (493)
Pinocembrin

>  <Catalog Number> (493)
S3941

>  <Synonyms> (493)
Pinocembrin

>  <Target> (493)
Antifection

>  <Form> (493)
free base

>  <URL> (493)
http://www.selleckchem.com/products/pinocembrin.html

>  <CAS Number> (493)
480-39-7

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/07161817392D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (494)
3481

>  <Formula> (494)
C18H22O4

>  <MolWeight> (494)
302.36488

>  <Item Name> (494)
Nordihydroguaiaretic acid

>  <Catalog Number> (494)
S3984

>  <Synonyms> (494)
N/A

>  <Target> (494)
lipoxygenase

>  <Form> (494)
free base

>  <URL> (494)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

>  <CAS Number> (494)
500-38-9

$$$$
S3944 Valproic acid.cdx
csChFnd80/07161817392D

 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> (495)
3486

>  <Formula> (495)
C8H16O2

>  <MolWeight> (495)
144.21144

>  <Item Name> (495)
Valproic acid

>  <Catalog Number> (495)
S3944

>  <Synonyms> (495)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (495)
HDAC1

>  <Form> (495)
free base

>  <URL> (495)
http://www.selleckchem.com/products/valproic-acid.html

>  <CAS Number> (495)
99-66-1

$$$$
S3756 Methyl salicylate.cdx
csChFnd80/07161817392D

 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> (496)
3500

>  <Formula> (496)
C8H8O3

>  <MolWeight> (496)
152.14732

>  <Item Name> (496)
Methyl salicylate

>  <Catalog Number> (496)
S3756

>  <Synonyms> (496)
2-Carbomethoxyphenol, Betula oil, Gaultheria oil, Methyl 2-hydroxybenzoate, Natural wintergreen oil

>  <Target> (496)
TRPA1,TRPV1

>  <Form> (496)
free base

>  <URL> (496)
http://www.selleckchem.com/products/methyl-salicylate.html

>  <CAS Number> (496)
119-36-8

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/07161817392D

 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> (497)
3506

>  <Formula> (497)
C13H13ClN2O

>  <MolWeight> (497)
248.70812

>  <Item Name> (497)
Harmine hydrochloride

>  <Catalog Number> (497)
S3817

>  <Synonyms> (497)
telepathine hydrochloride

>  <Target> (497)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (497)
hydrochloride

>  <URL> (497)
http://www.selleckchem.com/products/harmine-hydrochloride.html

>  <CAS Number> (497)
343-27-1

$$$$
S3823 Schizandrol A.cdx
csChFnd80/07161817392D

 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
    0.2132    5.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    9.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2933    6.4292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8569    8.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    0.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9802    3.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6402    5.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4599    1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467   10.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    6.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5014    9.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7839    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   11.4934    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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 15  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 19  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  1  0  0  0
 16 25  1  6  0  0  0
 16 20  1  0  0  0  0
 17 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  6  0  0  0
 21 29  1  0  0  0  0
 23 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (498)
3511

>  <Formula> (498)
C24H32O7

>  <MolWeight> (498)
432.50668

>  <Item Name> (498)
Schizandrol A

>  <Catalog Number> (498)
S3823

>  <Synonyms> (498)
N/A

>  <Target> (498)
Others

>  <Form> (498)
free base

>  <URL> (498)
http://www.selleckchem.com/products/schizandrol-a.html

>  <CAS Number> (498)
7432-28-2

$$$$
S3840 Baohuoside I.cdx
csChFnd80/07161817392D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   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
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    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
  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
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (499)
3523

>  <Formula> (499)
C27H30O10

>  <MolWeight> (499)
514.5211

>  <Item Name> (499)
Baohuoside I

>  <Catalog Number> (499)
S3840

>  <Synonyms> (499)
Icariside II

>  <Target> (499)
ROS

>  <URL> (499)
http://www.selleckchem.com/products/baohuoside-i.html

>  <CAS Number> (499)
113558-15-9

$$$$
S3841 Eleutheroside B.cdx
csChFnd80/07161817392D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0606    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4855    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8482    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4855    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    4.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    2.1062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6979    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    4.9065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2159    2.8033    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4289    0.7062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9104    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4221    6.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    2.1033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    7.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3352    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9  4  1  1  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 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  6  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  1  0  0  0
 17 22  1  1  0  0  0
 17 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  6  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (500)
3524

>  <Formula> (500)
C17H24O9

>  <MolWeight> (500)
372.36706

>  <Item Name> (500)
Eleutheroside B

>  <Catalog Number> (500)
S3841

>  <Synonyms> (500)
syringin, Syringoside, Lilacin

>  <Target> (500)
Others

>  <Form> (500)
free base

>  <URL> (500)
http://www.selleckchem.com/products/eleutheroside-b.html

>  <CAS Number> (500)
118-34-3

$$$$
S3968 Histamine.cdx
csChFnd80/07161817392D

  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
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   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
    5.8531    2.3834    0.0000 N   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
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (501)
3528

>  <Formula> (501)
C5H9N3

>  <MolWeight> (501)
111.14506

>  <Item Name> (501)
Histamine

>  <Catalog Number> (501)
S3968

>  <Synonyms> (501)
N/A

>  <Target> (501)
Histamine receptor

>  <Form> (501)
free base

>  <URL> (501)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (501)
51-45-6

$$$$
S3780 Secoisolariciresinol diglucoside.cdx
csChFnd80/07161817392D

 48 51  0  0  0  0  0  0  0  0999 V2000
    7.2829    7.7171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2829    6.3171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0705    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4954    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4954    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    9.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4954    9.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4954    4.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    4.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8636   10.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787   10.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7078   10.5171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7004    3.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2581    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8580    3.5171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8636   11.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787   11.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9184    9.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7078   11.9217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7004    2.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2581    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    4.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8580    2.1498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0726   12.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508   12.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1281   10.5166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9231   12.6233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4960   12.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4902    1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9128    1.4193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    3.5204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6163    1.4329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0817    1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0726   14.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508   14.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1281   11.9144    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3386    9.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9231   14.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4902    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9128    0.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    2.1378    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2013    4.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6163    0.0196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3401   12.6141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5526   10.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1970    1.4299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5323    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  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  1  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 10  1  0  0  0  0
  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
 13 19  1  0  0  0  0
 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
 33 44  1  1  0  0  0
 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> (502)
3554

>  <Formula> (502)
C32H46O16

>  <MolWeight> (502)
686.69804

>  <Item Name> (502)
Secoisolariciresinol diglucoside

>  <Catalog Number> (502)
S3780

>  <Synonyms> (502)
N/A

>  <Target> (502)
Others

>  <Form> (502)
free base

>  <URL> (502)
http://www.selleckchem.com/products/secoisolariciresinol-diglucoside.html

>  <CAS Number> (502)
148244-82-0

$$$$
S3755 Betaine.cdx
csChFnd80/07161817392D

  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> (503)
3565

>  <Formula> (503)
C5H11NO2

>  <MolWeight> (503)
117.14634

>  <Item Name> (503)
Betaine

>  <Catalog Number> (503)
S3755

>  <Synonyms> (503)
trimethylglycine, glycine betaine, lycine, oxyneurine

>  <Target> (503)
Others

>  <Form> (503)
inner salt

>  <URL> (503)
http://www.selleckchem.com/products/betaine.html

>  <CAS Number> (503)
107-43-7

$$$$
S3853 Perillyl alcohol.cdx
csChFnd80/07161817392D

 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> (504)
3567

>  <Formula> (504)
C10H16O

>  <MolWeight> (504)
152.23344

>  <Item Name> (504)
Perillyl alcohol

>  <Catalog Number> (504)
S3853

>  <Synonyms> (504)
Perilla alcohol, Isocarveol

>  <Target> (504)
Others

>  <Form> (504)
free base

>  <URL> (504)
http://www.selleckchem.com/products/perillyl-alcohol.html

>  <CAS Number> (504)
536-59-4

$$$$
S3948 Spermine.cdx
csChFnd80/07161817392D

 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> (505)
3578

>  <Formula> (505)
C10H26N4

>  <MolWeight> (505)
202.34024

>  <Item Name> (505)
Spermine

>  <Catalog Number> (505)
S3948

>  <Synonyms> (505)
4,9-Diaza-1,12-dodecanediamine

>  <Target> (505)
Others

>  <Form> (505)
free base

>  <URL> (505)
http://www.selleckchem.com/products/spermine.html

>  <CAS Number> (505)
71-44-3

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/07161817392D

 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
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M  END
>  <Mol_ID> (506)
3585

>  <Formula> (506)
C48H82O18

>  <MolWeight> (506)
947.15388

>  <Item Name> (506)
Ginsenoside Re

>  <Catalog Number> (506)
S3811

>  <Synonyms> (506)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (506)
Others

>  <Form> (506)
free base

>  <URL> (506)
http://www.selleckchem.com/products/ginsenoside-re.html

>  <CAS Number> (506)
52286-59-6

$$$$
S3812 Monocrotaline.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (507)
3586

>  <Formula> (507)
C16H23NO6

>  <MolWeight> (507)
325.35692

>  <Item Name> (507)
Monocrotaline

>  <Catalog Number> (507)
S3812

>  <Synonyms> (507)
Crotaline

>  <Target> (507)
Others

>  <Form> (507)
free base

>  <URL> (507)
http://www.selleckchem.com/products/monocrotaline.html

>  <CAS Number> (507)
315-22-0

$$$$
S3891 Vincamine.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (508)
3593

>  <Formula> (508)
C21H26N2O3

>  <MolWeight> (508)
354.44274

>  <Item Name> (508)
Vincamine

>  <Catalog Number> (508)
S3891

>  <Synonyms> (508)
Angiopac, Devincan, Equipur, Minorin, Novicet, Oxybral, Perval, Sostenil, Tripervan

>  <Target> (508)
Others

>  <Form> (508)
free base

>  <URL> (508)
http://www.selleckchem.com/products/vincamine.html

>  <CAS Number> (508)
1617-90-9

$$$$
S3813 Bakuchiol.cdx
csChFnd80/07161817392D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (509)
3618

>  <Formula> (509)
C18H24O

>  <MolWeight> (509)
256.38256

>  <Item Name> (509)
Bakuchiol

>  <Catalog Number> (509)
S3813

>  <Synonyms> (509)
(S)-(+)-Bakuchiol

>  <Target> (509)
Immunology & Inflammation related

>  <Form> (509)
free base

>  <URL> (509)
http://www.selleckchem.com/products/bakuchiol.html

>  <CAS Number> (509)
10309-37-2

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/07161817392D

 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> (510)
3622

>  <Formula> (510)
C20H24O11

>  <MolWeight> (510)
440.39796

>  <Item Name> (510)
Ginkgolide C

>  <Catalog Number> (510)
S3781

>  <Synonyms> (510)
BN-52022

>  <Target> (510)
Others

>  <Form> (510)
free base

>  <URL> (510)
http://www.selleckchem.com/products/ginkgolide-c.html

>  <CAS Number> (510)
15291-76-6

$$$$
S3791 Succinic acid.cdx
csChFnd80/07161817392D

  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> (511)
3628

>  <Formula> (511)
C4H6O4

>  <MolWeight> (511)
118.08804

>  <Item Name> (511)
Succinic acid

>  <Catalog Number> (511)
S3791

>  <Synonyms> (511)
1,4-Butandioic Acid; 1,2-Ethanedicarboxylic acid; Amber acid; Asuccin; Butanedioic acid

>  <Target> (511)
Others

>  <Form> (511)
free base

>  <URL> (511)
http://www.selleckchem.com/products/succinic-acid.html

>  <CAS Number> (511)
110-15-6

$$$$
S3872 Guaiacol.cdx
csChFnd80/07161817392D

  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> (512)
3659

>  <Formula> (512)
C7H8O2

>  <MolWeight> (512)
124.13722

>  <Item Name> (512)
Guaiacol

>  <Catalog Number> (512)
S3872

>  <Synonyms> (512)
o-methoxyphenol, 2-hydroxyanisole, O-methylcatechol

>  <Target> (512)
Others

>  <Form> (512)
free base

>  <URL> (512)
http://www.selleckchem.com/products/guaiacol.html

>  <CAS Number> (512)
90-05-1

$$$$
S3923 Ginsenoside Rg1.cdx
csChFnd80/07161817392D

 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
    3.6045    9.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8009   11.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2386   10.3438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0421    8.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0421   11.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045    8.2409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4154   10.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045   11.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9974   12.4693    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2386   11.7632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5837    9.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2386    8.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8233    7.5347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4154    7.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    9.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9752   13.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465   12.2239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3862   11.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    8.2409    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9918    6.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207    6.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9402   13.5544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    7.5347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5381   13.2646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2929   14.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1550   12.0234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2929   15.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3822   10.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5297   11.9565    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5115   16.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9989    9.6156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1690   10.7005    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3027   13.1084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3960    9.5264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2483    8.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5662   10.6559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9905    8.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8429    7.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8233    8.8428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045    6.8437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2386   13.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9183    5.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9324    4.1650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7421    3.4831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1386    3.4600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7399    2.1245    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1787    2.0853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3437    4.1674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463    1.4196    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4963    1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3466    1.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9602    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4719    0.0424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5019   17.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7191   18.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2753   18.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668   15.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 41  1  6  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  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  6  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 15  1  0  0  0  0
  8 42  1  6  0  0  0
  9 17  1  0  0  0  0
 11 18  1  1  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 43  1  1  0  0  0
 13 20  1  0  0  0  0
 15 44  1  6  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 21  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  1  0  0  0
 21 25  1  1  0  0  0
 24 26  1  1  0  0  0
 24 27  1  0  0  0  0
 24 59  1  0  0  0  0
 28 26  1  1  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  1  6  0  0  0
 32 56  2  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  1  0  0  0
 34 38  1  1  0  0  0
 34 36  1  0  0  0  0
 36 39  1  6  0  0  0
 37 40  1  0  0  0  0
 45 44  1  1  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 47 50  1  6  0  0  0
 48 51  1  0  0  0  0
 48 52  1  1  0  0  0
 49 53  1  1  0  0  0
 49 51  1  0  0  0  0
 51 54  1  6  0  0  0
 52 55  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
M  END
>  <Mol_ID> (513)
3666

>  <Formula> (513)
C42H72O14

>  <MolWeight> (513)
801.01268

>  <Item Name> (513)
Ginsenoside Rg1

>  <Catalog Number> (513)
S3923

>  <Synonyms> (513)
Ginsenoside A2, Panaxoside A, Panaxoside Rg1, Sanchinoside C1, Sanchinoside Rg1

>  <Target> (513)
Others

>  <Form> (513)
free base

>  <URL> (513)
http://www.selleckchem.com/products/ginsenoside-rg1.html

>  <CAS Number> (513)
22427-39-0

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/07161817392D

 81 88  0  0  0  0  0  0  0  0999 V2000
   13.1660    8.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3997    7.8581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9531    7.9204    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1660   10.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6332    8.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3997    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3997    9.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9531    6.5103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7197    8.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9841    9.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3997   10.6984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6332   10.0040    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0696    8.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6023    6.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1660    5.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7197    5.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4857    7.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3997   12.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8359   10.6984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0696   10.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4857    6.5103    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4450    4.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (514)
3667

>  <Formula> (514)
C54H92O23

>  <MolWeight> (514)
1109.29448

>  <Item Name> (514)
Ginsenoside Rb1

>  <Catalog Number> (514)
S3924

>  <Synonyms> (514)
Gypenoside ¢ó

>  <Target> (514)
Others

>  <Form> (514)
free base

>  <URL> (514)
http://www.selleckchem.com/products/ginsenoside-rb1.html

>  <CAS Number> (514)
41753-43-9

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/07161817392D

 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
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M  END
>  <Mol_ID> (515)
3680

>  <Formula> (515)
C6H15NO9S

>  <MolWeight> (515)
277.2496

>  <Item Name> (515)
Glucosamine sulfate

>  <Catalog Number> (515)
S3850

>  <Synonyms> (515)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (515)
Others

>  <Form> (515)
sulfate

>  <URL> (515)
http://www.selleckchem.com/products/glucosamine-sulfate.html

>  <CAS Number> (515)
29031-19-4

$$$$
S3856 Allantoin.cdx
csChFnd80/07161817392D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (516)
3685

>  <Formula> (516)
C4H6N4O3

>  <MolWeight> (516)
158.11544

>  <Item Name> (516)
Allantoin

>  <Catalog Number> (516)
S3856

>  <Synonyms> (516)
Glyoxyldiureide, 5-Ureidohydantoin

>  <Target> (516)
Others

>  <Form> (516)
free base

>  <URL> (516)
http://www.selleckchem.com/products/allantoin.html

>  <CAS Number> (516)
97-59-6

$$$$
S3905 Iso-Steviol.cdx
csChFnd80/07161817392D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (517)
3699

>  <Formula> (517)
C20H30O3

>  <MolWeight> (517)
318.4504

>  <Item Name> (517)
Iso-Steviol

>  <Catalog Number> (517)
S3905

>  <Synonyms> (517)
N/A

>  <Target> (517)
Others

>  <Form> (517)
free base

>  <URL> (517)
http://www.selleckchem.com/products/iso-steviol.html

>  <CAS Number> (517)
27975-19-5

$$$$
S3876 Indigo.cdx
csChFnd80/07161817392D

 20 23  0  0  0  0  0  0  0  0999 V2000
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    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
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    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> (518)
3710

>  <Formula> (518)
C16H10N2O2

>  <MolWeight> (518)
262.2628

>  <Item Name> (518)
Indigo

>  <Catalog Number> (518)
S3876

>  <Synonyms> (518)
Indigotin

>  <Target> (518)
Others

>  <Form> (518)
free base

>  <URL> (518)
http://www.selleckchem.com/products/indigo.html

>  <CAS Number> (518)
482-89-3

$$$$
S4775 Cortodoxone.cdx
csChFnd80/07161817392D

 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
    1.2397    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    1.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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> (519)
3750

>  <Formula> (519)
C21H30O4

>  <MolWeight> (519)
346.4605

>  <Item Name> (519)
Cortodoxone

>  <Catalog Number> (519)
S4775

>  <Synonyms> (519)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (519)
Glucocorticoid Receptor

>  <Form> (519)
free base

>  <URL> (519)
http://www.selleckchem.com/products/cortodoxone.html

>  <CAS Number> (519)
152-58-9

$$$$
S3949 N-Sulfo-glucosamine sodium salt.cdx
csChFnd80/07161817392D

 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
    7.0144    1.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146    2.7996    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    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
    7.3854    2.7922    0.0000 Na  0  3  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
  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> (520)
3787

>  <Formula> (520)
C6H12NNaO8S

>  <MolWeight> (520)
281.21615

>  <Item Name> (520)
N-Sulfo-glucosamine sodium salt

>  <Catalog Number> (520)
S3949

>  <Synonyms> (520)
N-sulfoglucosamine sodium salt, N-Sulfo-D-glucosamine sodium salt

>  <Target> (520)
Others

>  <Form> (520)
sodium salt

>  <URL> (520)
http://www.selleckchem.com/products/n-sulfo-glucosamine-sodium-salt.html

>  <CAS Number> (520)
38899-05-7

$$$$
S3980 Pyridoxine.cdx
csChFnd80/07161817392D

 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> (521)
3809

>  <Formula> (521)
C8H11NO3

>  <MolWeight> (521)
169.17784

>  <Item Name> (521)
Pyridoxine

>  <Catalog Number> (521)
S3980

>  <Synonyms> (521)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (521)
Others

>  <Form> (521)
free base

>  <URL> (521)
http://www.selleckchem.com/products/pyridoxine.html

>  <CAS Number> (521)
65-23-6

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/07161817392D

 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> (522)
3810

>  <Formula> (522)
C20H22N4O10S

>  <MolWeight> (522)
510.47448

>  <Item Name> (522)
Cefuroxime axetil

>  <Catalog Number> (522)
S4813

>  <Synonyms> (522)
N/A

>  <Target> (522)
Antifection

>  <Form> (522)
free base

>  <URL> (522)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (522)
64544-07-6

$$$$
S4821 Glycine.cdx
csChFnd80/07161817392D

  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> (523)
3811

>  <Formula> (523)
C2H5NO2

>  <MolWeight> (523)
75.0666

>  <Item Name> (523)
Glycine

>  <Catalog Number> (523)
S4821

>  <Synonyms> (523)
 2-Aminoacetic acid, Aminoacetic acid, Glycocoll

>  <Target> (523)
Others

>  <Form> (523)
free base

>  <URL> (523)
http://www.selleckchem.com/products/glycine.html

>  <CAS Number> (523)
56-40-6

$$$$
S4826 Aluminium hydroxide.cdx
csChFnd80/07161817392D

  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> (524)
3812

>  <Formula> (524)
AlH3O3

>  <MolWeight> (524)
78.003558

>  <Item Name> (524)
Aluminium hydroxide

>  <Catalog Number> (524)
S4826

>  <Synonyms> (524)
Aluminic hydroxide, Aluminum trihydroxide, Aluminium(III) hydroxide

>  <Target> (524)
Others

>  <Form> (524)
free base

>  <URL> (524)
http://www.selleckchem.com/products/aluminium-hydroxide.html

>  <CAS Number> (524)
21645-51-2

$$$$
S3992 D-(+)-Trehalose dihydrate.cdx
csChFnd80/07161817392D

 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
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    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
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 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> (525)
3828

>  <Formula> (525)
C12H26O13

>  <MolWeight> (525)
378.32704

>  <Item Name> (525)
D-(+)-Trehalose dihydrate

>  <Catalog Number> (525)
S3992

>  <Synonyms> (525)
N/A

>  <Target> (525)
Others

>  <Form> (525)
dihydrate

>  <URL> (525)
http://www.selleckchem.com/products/d-trehalose-dihyd.html

>  <CAS Number> (525)
6138-23-4

$$$$
S3998 Lipoic acid.cdx
csChFnd80/07161817392D

 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> (526)
3834

>  <Formula> (526)
C8H14O2S2

>  <MolWeight> (526)
206.32556

>  <Item Name> (526)
(+)-¦Á-Lipoic acid

>  <Catalog Number> (526)
S3998

>  <Synonyms> (526)
(R)-(+)-¦Á-Lipoic acid, ¦Á-Lipoic acid, Alpha-Lipoic acid

>  <Target> (526)
Others

>  <Form> (526)
free base

>  <URL> (526)
http://www.selleckchem.com/products/alpha-lipoic-acid.html

>  <CAS Number> (526)
1200-22-2

$$$$
S4817 Atenolol.cdx
csChFnd80/07161817392D

 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> (527)
3837

>  <Formula> (527)
C14H22N2O3

>  <MolWeight> (527)
266.33608

>  <Item Name> (527)
Atenolol

>  <Catalog Number> (527)
S4817

>  <Synonyms> (527)
Tenormin, Normiten, Blokium

>  <Target> (527)
¦Â1 receptor,¦Â2 receptor

>  <Form> (527)
free base

>  <URL> (527)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (527)
29122-68-7

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/07161817392D

 45 48  0  0  0  0  0  0  0  0999 V2000
    7.6344    8.5760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6344   10.3937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0327   10.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7318   11.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8453    7.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0697    8.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2815    7.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2815    6.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0620    5.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8451    6.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2362   10.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5434    9.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294    9.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225   10.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285   11.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4291   12.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338   14.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5421   14.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2462   12.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413   11.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1300   11.6046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   10.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6352    7.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2103    7.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4299    5.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    6.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    5.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    4.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3589    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.6344   11.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4139    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6286    2.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8391    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2034    2.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4139    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0496    2.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2600    1.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0496    3.4968    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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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 11 20  2  0  0  0  0
 15 20  1  0  0  0  0
  2 11  1  0  0  0  0
 21 22  1  0  0  0  0
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  4 21  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 24 33  2  0  0  0  0
 28 33  1  0  0  0  0
 34 35  1  0  0  0  0
 25 34  1  0  0  0  0
 30 36  1  0  0  0  0
  1 26  1  0  0  0  0
  2 37  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
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 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
M  END
>  <Mol_ID> (528)
3839

>  <Formula> (528)
C36H35BrN2O6

>  <MolWeight> (528)
671.5769

>  <Item Name> (528)
Bedaquiline fumarate

>  <Catalog Number> (528)
S4854

>  <Synonyms> (528)
TMC-207

>  <Target> (528)
Antifection

>  <Form> (528)
fumarate

>  <URL> (528)
http://www.selleckchem.com/products/bedaquiline-fumarate.html

>  <CAS Number> (528)
845533-86-0

$$$$
S4927 Cyclen.cdx
csChFnd80/07161817392D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.4289    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4525    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390    2.1696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2161    0.6666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4922    3.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9332    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590    4.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761    3.8657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065    2.2429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9798    4.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0166    3.4959    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
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (529)
3840

>  <Formula> (529)
C8H20N4

>  <MolWeight> (529)
172.2712

>  <Item Name> (529)
Cyclen

>  <Catalog Number> (529)
S4927

>  <Synonyms> (529)
1,4,7,10-tetraazacyclododecane

>  <Target> (529)
Others

>  <Form> (529)
free base

>  <URL> (529)
http://www.selleckchem.com/products/cyclen.html

>  <CAS Number> (529)
294-90-6

$$$$
S4928 Brivaracetam.cdx
csChFnd80/07161817392D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.2518    6.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642    5.6730    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6766    6.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    7.7730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393    5.6730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642    4.2730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7643    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1643    2.1187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (530)
3841

>  <Formula> (530)
C11H20N2O2

>  <MolWeight> (530)
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>  <Item Name> (530)
Brivaracetam

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S4928

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UCB34714

>  <Target> (530)
Others

>  <Form> (530)
free base

>  <URL> (530)
http://www.selleckchem.com/products/brivaracetam.html

>  <CAS Number> (530)
357336-20-0

$$$$
S4930 Cetilistat.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (531)
3842

>  <Formula> (531)
C25H39NO3

>  <MolWeight> (531)
401.58206

>  <Item Name> (531)
Cetilistat

>  <Catalog Number> (531)
S4930

>  <Synonyms> (531)
ATL962

>  <Target> (531)
pancreatic lipase

>  <Form> (531)
free base

>  <URL> (531)
http://www.selleckchem.com/products/cetilistat.html

>  <CAS Number> (531)
282526-98-1

$$$$
S5007 Delamanid.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (532)
3844

>  <Formula> (532)
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>  <MolWeight> (532)
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>  <Item Name> (532)
Delamanid

>  <Catalog Number> (532)
S5007

>  <Synonyms> (532)
OPC-67683

>  <Target> (532)
Others

>  <Form> (532)
free base

>  <URL> (532)
http://www.selleckchem.com/products/delamanid.html

>  <CAS Number> (532)
681492-22-8

$$$$
S5015 Simeprevir.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (533)
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>  <Formula> (533)
C38H47N5O7S2

>  <MolWeight> (533)
749.93908

>  <Item Name> (533)
TMC-435, TMC-435350

>  <Catalog Number> (533)
S5015

>  <Synonyms> (533)
TMC-435, TMC-435350

>  <Target> (533)
HCV NS3/4A protease

>  <Form> (533)
free base

>  <URL> (533)
http://www.selleckchem.com/products/simeprevir.html

>  <CAS Number> (533)
923604-59-5

$$$$
S3074 Chlortalidone.cdx
csChFnd80/07161817392D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    3.1881    4.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2209    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731    3.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9705    5.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0147    3.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2992    4.8058    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
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 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (534)
3857

>  <Formula> (534)
C14H11ClN2O4S

>  <MolWeight> (534)
338.76614

>  <Item Name> (534)
Chlorthalidone

>  <Catalog Number> (534)
S3074

>  <Synonyms> (534)
Chlortalidone

>  <Target> (534)
Others

>  <Form> (534)
free base

>  <URL> (534)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (534)
77-36-1

$$$$
S5023 Nadolol.cdx
csChFnd80/07161817392D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.4557    5.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2298    5.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6778    5.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9037    5.9835    0.0000 C   0  0  1  0  0  0  0  0  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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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  1  0  0  0
  9 10  1  0  0  0  0
 10 14  1  1  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (535)
3865

>  <Formula> (535)
C17H27NO4

>  <MolWeight> (535)
309.40058

>  <Item Name> (535)
Nadolol

>  <Catalog Number> (535)
S5023

>  <Synonyms> (535)
Corgard, Solgol, Anabet

>  <Target> (535)
Androgen Receptor

>  <Form> (535)
free base

>  <URL> (535)
http://selleckchem.com/products/nadolol.html

>  <CAS Number> (535)
42200-33-9

$$$$
S5025 Efinaconazole.cdx
csChFnd80/07161817392D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.8724    4.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2803    6.0564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4394    7.1758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    8.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5769    7.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1812    2.8128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9272    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  2  6  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
 13  1  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  1  1  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 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> (536)
3866

>  <Formula> (536)
C18H22F2N4O

>  <MolWeight> (536)
348.3902864

>  <Item Name> (536)
Efinaconazole

>  <Catalog Number> (536)
S5025

>  <Synonyms> (536)
KP-103

>  <Target> (536)
Anti-infection

>  <Form> (536)
free base

>  <URL> (536)
http://selleckchem.com/products/efinaconazole.html

>  <CAS Number> (536)
164650-44-6

$$$$
S5070 Mupirocin calcium.cdx
csChFnd80/07161817392D

 77 78  0  0  0  0  0  0  0  0999 V2000
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    9.6942   16.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 38 40  2  0  0  0  0
 39 41  1  0  0  0  0
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 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
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 49 51  2  0  0  0  0
 50 52  2  0  0  0  0
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 57 60  1  0  0  0  0
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 58 62  1  1  0  0  0
 60 61  1  0  0  0  0
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 63 64  1  0  0  0  0
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 65 75  1  6  0  0  0
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 68 70  1  0  0  0  0
 68 71  1  1  0  0  0
M  END
>  <Mol_ID> (537)
3875

>  <Formula> (537)
C52H90CaO20

>  <MolWeight> (537)
1075.337

>  <Item Name> (537)
Mupirocin calcium

>  <Catalog Number> (537)
S5070

>  <Synonyms> (537)
pseudomonic acid A

>  <Target> (537)
Anti-infection

>  <Form> (537)
calcium salt dihydrate

>  <URL> (537)
http://selleckchem.com/products/mupirocin-calcium.html

>  <CAS Number> (537)
115074-43-6

$$$$
S5206 Benzylpenicillin potassiuM.cdx
csChFnd80/07161817392D

 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
    6.3749    1.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3764    5.1677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9275    2.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9253    4.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4361    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7783    0.6276    0.0000 O   0  5  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  1  0  0  0  0
  2  6  1  0  0  0  0
  2 24  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
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  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (538)
3889

>  <Formula> (538)
C16H17KN2O4S

>  <MolWeight> (538)
372.48048

>  <Item Name> (538)
Benzylpenicillin potassium

>  <Catalog Number> (538)
S5206

>  <Synonyms> (538)
Penicillin G potassium

>  <Target> (538)
Anti-infection

>  <Form> (538)
potassium salt

>  <URL> (538)
http://selleckchem.com/products/benzylpenicillin-potassium.html

>  <CAS Number> (538)
113-98-4

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/07161817392D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0541    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0541    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2702    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6439    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9054    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7092    0.4160    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790    0.0034    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  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
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 10 14  1  0  0  0  0
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 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
  5 24  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (539)
3891

>  <Formula> (539)
C15H17FN4O3R

>  <MolWeight> (539)
320.3188832

>  <Item Name> (539)
Enoxacin Sesquihydrate

>  <Catalog Number> (539)
S5209

>  <Synonyms> (539)
Enoxacin hydrate

>  <Target> (539)
Anti-infection

>  <Form> (539)
sesquihydrate

>  <URL> (539)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

>  <CAS Number> (539)
84294-96-2

$$$$
S4877 Eperisone hydrochloride.cdx
csChFnd80/07161817392D

 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
    6.0655    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2946    2.1366    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0655    4.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5066    2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2946    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7126    2.1251    0.0000 N   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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 16  1  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> (540)
3901

>  <Formula> (540)
C17H26ClNO

>  <MolWeight> (540)
295.84744

>  <Item Name> (540)
Eperisone hydrochloride

>  <Catalog Number> (540)
S4877

>  <Synonyms> (540)
N/A

>  <Target> (540)
Others

>  <Form> (540)
hydrochloride 

>  <URL> (540)
http://selleckchem.com/products/eperisone-hydrochloride.html

>  <CAS Number> (540)
56839-43-1

$$$$
S4991 Valpromide.cdx
csChFnd80/07161817392D

 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
    2.1044    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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> (541)
3904

>  <Formula> (541)
C8H17NO

>  <MolWeight> (541)
143.22668

>  <Item Name> (541)
Valpromide

>  <Catalog Number> (541)
S4991

>  <Synonyms> (541)
Depamide, Dipropylacetamide, 2-propylpentanamide

>  <Target> (541)
Others

>  <Form> (541)
free base

>  <URL> (541)
http://selleckchem.com/products/valpromide.html

>  <CAS Number> (541)
2430-27-5

$$$$
S5052 Granisetron.cdx
csChFnd80/07161817392D

 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
    2.4592    5.0199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715    4.7473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8648    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4468    3.3703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    1.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    3.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3396    0.1780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.8360    0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0140    2.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1580    3.3525    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.0787    1.9087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3706    1.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
 10  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 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> (542)
3909

>  <Formula> (542)
C18H24N4O

>  <MolWeight> (542)
312.40936

>  <Item Name> (542)
Granisetron

>  <Catalog Number> (542)
S5052

>  <Synonyms> (542)
Sancuso, Kevatril, Granisetronum, Sustol

>  <Target> (542)
5-HT Receptor

>  <URL> (542)
http://selleckchem.com/products/granisetron.html

>  <CAS Number> (542)
109889-09-0

$$$$
S5075 Acotiamide.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (543)
3914

>  <Formula> (543)
C21H30N4O5S

>  <MolWeight> (543)
450.5517

>  <Item Name> (543)
Acotiamide

>  <Catalog Number> (543)
S5075

>  <Synonyms> (543)
Acofide

>  <Target> (543)
AChR

>  <Form> (543)
free base

>  <URL> (543)
http://selleckchem.com/products/acotiamide.html

>  <CAS Number> (543)
185106-16-5

$$$$
S5079 Sitagliptin.cdx
csChFnd80/07161817392D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  0  0  0  0
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 22  6  1  0  0  0  0
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 10  8  1  0  0  0  0
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M  END
>  <Mol_ID> (544)
3916

>  <Formula> (544)
C16H15F6N5O

>  <MolWeight> (544)
407.3136192

>  <Item Name> (544)
Sitagliptin

>  <Catalog Number> (544)
S5079

>  <Synonyms> (544)
MK-0431

>  <Target> (544)
DPP-4

>  <Form> (544)
free base

>  <URL> (544)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (544)
486460-32-6

$$$$
S4836 Nilutamide.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (545)
3935

>  <Formula> (545)
C12H10F3N3O4

>  <MolWeight> (545)
317.2207096

>  <Item Name> (545)
Nilutamide

>  <Catalog Number> (545)
S4836

>  <Synonyms> (545)
RU23908

>  <Target> (545)
Androgen Receptor

>  <URL> (545)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (545)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/07161817392D

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>  <Mol_ID> (546)
3936

>  <Formula> (546)
C14H18N2O

>  <MolWeight> (546)
230.30552

>  <Item Name> (546)
Ibudilast

>  <Catalog Number> (546)
S4837

>  <Synonyms> (546)
KC-404, AV411, MN166

>  <Target> (546)
PDE

>  <Form> (546)
free base

>  <URL> (546)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (546)
50847-11-5

$$$$
S4848 Dalbavancin.cdx
csChFnd80/07161817392D

128140  0  0  0  0  0  0  0  0999 V2000
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>  <Item Name> (547)
Dalbavancin

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S4848

>  <Synonyms> (547)
zeven

>  <Target> (547)
Anti-infection

>  <Form> (547)
free base

>  <URL> (547)
http://selleckchem.com/products/dalbavancin.html

>  <CAS Number> (547)
171500-79-1

$$$$
S4851 Tafluprost.cdx
csChFnd80/07161817392D

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>  <Item Name> (548)
Tafluprost

>  <Catalog Number> (548)
S4851

>  <Synonyms> (548)
AFP-168

>  <Target> (548)
Others

>  <URL> (548)
http://selleckchem.com/products/tafluprost.html

>  <CAS Number> (548)
209860-87-7

$$$$
S4852 Gadopentetate Dimeglumine.cdx
csChFnd80/07161817392D

 54 53  0  0  0  0  0  0  0  0999 V2000
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   17.3812    7.0350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9563    7.0350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1687    4.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5936    6.3350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3812    8.4350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7439    6.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563    8.4350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8060    7.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5936    4.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5314    7.0350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.0185    6.3350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3190    6.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223    4.0541    0.0000 Gd  0  0  0  0  0  0  0  0  0  0  0  0
    7.1717    5.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4039    2.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0998    4.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375    6.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9085    1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634    5.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5401    6.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1717    7.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9767    1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4039    0.2863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6607    5.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9767    5.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5401    2.2288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2242    6.0787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5401    4.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793    5.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9767    3.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082    2.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3216    6.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6607    7.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1717    1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2242    7.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2398    1.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082    0.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219    7.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6902    8.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3087    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.5212    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0963    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3087    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7336    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.5212    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8839    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0963    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9460    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7336    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6714    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1585    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4590    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 27  1  0  0  0  0
 23 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 32  1  0  0  0  0
 31 34  1  0  0  0  0
 33 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 37 40  1  0  0  0  0
 37 41  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  6  0  0  0
 43 46  1  0  0  0  0
 43 47  1  6  0  0  0
 44 48  1  0  0  0  0
 44 49  1  6  0  0  0
 46 50  1  0  0  0  0
 46 51  1  1  0  0  0
 48 52  1  0  0  0  0
 50 53  1  0  0  0  0
 52 54  1  0  0  0  0
M  END
>  <Mol_ID> (549)
3939

>  <Formula> (549)
C28H54GdN5O20

>  <MolWeight> (549)
937.99986

>  <Item Name> (549)
Gadopentetate Dimeglumine

>  <Catalog Number> (549)
S4852

>  <Synonyms> (549)
Gadopentetic acid dimeglumine, Gd-DTPA, Meglumine gadopentetate

>  <Target> (549)
Others

>  <Form> (549)
dimeglumine salt

>  <URL> (549)
http://selleckchem.com/products/gadopentetate-dimeglumine.html

>  <CAS Number> (549)
86050-77-3

$$$$
S4931 Propiverine hydrochloride.cdx
csChFnd80/07161817392D

 28 29  0  0  0  0  0  0  0  0999 V2000
    7.3099    3.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    4.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6099    5.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975    3.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0099    2.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7058    3.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    6.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3056    6.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2086    5.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    3.9747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975    1.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4099    2.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7454    6.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6079    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5091    6.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.9120    6.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2078    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4397    3.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (550)
3941

>  <Formula> (550)
C23H30ClNO3

>  <MolWeight> (550)
403.9422

>  <Item Name> (550)
Propiverine hydrochloride

>  <Catalog Number> (550)
S4931

>  <Synonyms> (550)
N/A

>  <Target> (550)
Others

>  <URL> (550)
http://selleckchem.com/products/propiverine-hydrochloride.html

>  <CAS Number> (550)
54556-98-8

$$$$
S5006 Teprenone.cdx
csChFnd80/07161817392D

 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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    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
   19.3990    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
   20.6114    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 19 21  1  0  0  0  0
 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> (551)
3943

>  <Formula> (551)
C23H38O

>  <MolWeight> (551)
330.54722

>  <Item Name> (551)
Teprenone

>  <Catalog Number> (551)
S5006

>  <Synonyms> (551)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (551)
Others

>  <URL> (551)
http://selleckchem.com/products/teprenone.html

>  <CAS Number> (551)
6809-52-5

$$$$
S5012 Octenidine Dihydrochloride.cdx
csChFnd80/07161817392D

 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
   12.6204    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4079    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8328    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4079    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.7706    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8950    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5582    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1074    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5582    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3198    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3457    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5323    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3457    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7447    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9571    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1696    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9571    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3820    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1696    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3820    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5945    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.8069    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8069    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0193    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0193    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2318    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2318    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4442    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> (552)
3944

>  <Formula> (552)
C36H64Cl2N4

>  <MolWeight> (552)
623.82616

>  <Item Name> (552)
Octenidine Dihydrochloride

>  <Catalog Number> (552)
S5012

>  <Synonyms> (552)
N/A

>  <Target> (552)
Anti-infection

>  <URL> (552)
http://selleckchem.com/products/octenidine-ihydrochloride.html

>  <CAS Number> (552)
70775-75-6

$$$$
S5013 Ioversol.cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (553)
3945

>  <Formula> (553)
C18H24I3N3O9

>  <MolWeight> (553)
807.11127

>  <Item Name> (553)
Ioversol

>  <Catalog Number> (553)
S5013

>  <Synonyms> (553)
N/A

>  <Target> (553)
Others

>  <URL> (553)
http://selleckchem.com/products/lversol.html

>  <CAS Number> (553)
87771-40-2

$$$$
S5014 Crisaborole (AN2728).cdx
csChFnd80/07161817392D

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M  END
>  <Mol_ID> (554)
3946

>  <Formula> (554)
C14H10BNO3

>  <MolWeight> (554)
251.0451

>  <Item Name> (554)
Crisaborole (AN2728)

>  <Catalog Number> (554)
S5014

>  <Synonyms> (554)
N/A

>  <Target> (554)
PDE

>  <Form> (554)
free base

>  <URL> (554)
http://selleckchem.com/products/crisaborole-an2728.html

>  <CAS Number> (554)
906673-24-3

$$$$
DIPRIVAN (propofol).cdx
csChFnd80/07161817392D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (555)
3950

>  <Formula> (555)
C12H18O

>  <MolWeight> (555)
178.27072

>  <Item Name> (555)
Propofol

>  <Catalog Number> (555)
S2023

>  <Synonyms> (555)
N/A

>  <Target> (555)
GABA Receptor

>  <URL> (555)
http://selleckchem.com/products/propofol-diprivan.html

>  <CAS Number> (555)
2078-54-8

$$$$
S4849 Levocetirizine Dihydrochloride.cdx
csChFnd80/07161817392D

 29 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (556)
3951

>  <Formula> (556)
C21H27Cl3N2O3

>  <MolWeight> (556)
461.80968

>  <Item Name> (556)
Levocetirizine Dihydrochloride

>  <Catalog Number> (556)
S4849

>  <Synonyms> (556)
Xyzal Dihydrochloride, (-)-Cetirizine Dihydrochloride

>  <Target> (556)
Histamine Receptor

>  <Form> (556)
dihydrochloride 

>  <URL> (556)
http://selleckchem.com/products/levocetirizine-dihydrochloride.html

>  <CAS Number> (556)
130018-87-0

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/07161817392D

 43 47  0  0  0  0  0  0  0  0999 V2000
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    7.2662    8.7176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   10.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8649    5.6348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8711    4.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    3.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4401    5.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6506    6.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0793    3.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 25  1  0  0  0  0
 17 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 32 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 39  1  0  0  0  0
M  END
>  <Mol_ID> (557)
3977

>  <Formula> (557)
C34H30N2O6S

>  <MolWeight> (557)
594.6768

>  <Item Name> (557)
Pyrantel Pamoate 

>  <Catalog Number> (557)
S2501

>  <Synonyms> (557)
Pyrantel Embonate

>  <Target> (557)
Anti-infection

>  <Form> (557)
salt

>  <URL> (557)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (557)
22204-24-6

$$$$
S4819 Saccharin.cdx
csChFnd80/07161817392D

 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> (558)
3982

>  <Formula> (558)
C7H5NO3S

>  <MolWeight> (558)
183.1845

>  <Item Name> (558)
Saccharin

>  <Catalog Number> (558)
S4819

>  <Synonyms> (558)
Benzoic sulfimide, O-Sulfobenzimide, O-Benzoic sulfimide, Saccharimide

>  <Target> (558)
Others

>  <Form> (558)
free base

>  <URL> (558)
http://selleckchem.com/products/saccharin.html

>  <CAS Number> (558)
81-07-2

$$$$
S4830 Maltose.cdx
csChFnd80/07161817392D

 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
    2.4892    5.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958    3.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    6.3597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6696    2.0610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2204    2.1836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970    5.6630    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    7.7663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3888    1.3929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8820    1.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080    1.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    6.3646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8970    4.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4749    8.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    8.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    2.0537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3233    5.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    7.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611    7.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3233    4.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (559)
3989

>  <Formula> (559)
C12H22O11

>  <MolWeight> (559)
342.29648

>  <Item Name> (559)
Maltose

>  <Catalog Number> (559)
S4830

>  <Synonyms> (559)
maltobiose, malt sugar, Beta-maltose, D-Maltose

>  <Target> (559)
Others

>  <Form> (559)
free base

>  <URL> (559)
http://selleckchem.com/products/maltose.html

>  <CAS Number> (559)
 69-79-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/07161817392D

 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
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    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> (560)
3990

>  <Formula> (560)
C19H30O5

>  <MolWeight> (560)
338.4385

>  <Item Name> (560)
Piperonyl butoxide

>  <Catalog Number> (560)
S4831

>  <Synonyms> (560)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (560)
Others

>  <URL> (560)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (560)
51-03-6

$$$$
S4835 Aceclofenac.cdx
csChFnd80/07161817392D

 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
    8.4870    4.2000    0.0000 O   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 Cl  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
    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> (561)
3992

>  <Formula> (561)
C16H13Cl2NO4

>  <MolWeight> (561)
354.18472

>  <Item Name> (561)
Aceclofenac

>  <Catalog Number> (561)
S4835

>  <Synonyms> (561)
Preservex, Airtal

>  <Target> (561)
Immunology & Inflammation related

>  <Form> (561)
free base

>  <URL> (561)
http://selleckchem.com/products/aceclofenac.html

>  <CAS Number> (561)
89796-99-6

$$$$
S4839 Mosapride.cdx
csChFnd80/07161817392D

 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
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    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
   10.9129    6.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    5.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9129    7.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (562)
3993

>  <Formula> (562)
C21H25ClFN3O3

>  <MolWeight> (562)
421.8929032

>  <Item Name> (562)
Mosapride

>  <Catalog Number> (562)
S4839

>  <Synonyms> (562)
N/A

>  <Target> (562)
5-HT Receptor

>  <URL> (562)
http://selleckchem.com/products/mosapride.html

>  <CAS Number> (562)
112885-41-3

$$$$
S4975 Fimasartan.cdx
csChFnd80/07161817392D

 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
    3.6509    4.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509    5.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643    6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    3.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    1.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0771    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0771    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1330    6.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3443    5.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5568    6.2957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3443    4.1965    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7687    5.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5568    7.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1336    3.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  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
  5 30  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 24 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (563)
4028

>  <Formula> (563)
C27H31N7OS

>  <MolWeight> (563)
501.64634

>  <Item Name> (563)
Fimasartan

>  <Catalog Number> (563)
S4975

>  <Synonyms> (563)
Kanarb

>  <Target> (563)
RAAS

>  <Form> (563)
free base

>  <URL> (563)
http://selleckchem.com/products/fimasartan.html

>  <CAS Number> (563)
247257-48-3

$$$$
QUTENZA (capsaicin).cdx
csChFnd80/07161817392D

 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
    2.4291    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7785    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
 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
 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> (564)
4043

>  <Formula> (564)
C18H27NO3

>  <MolWeight> (564)
305.41188

>  <Item Name> (564)
Capsaicin

>  <Catalog Number> (564)
S1990

>  <Synonyms> (564)
Qutenza, Vanilloid

>  <Target> (564)
Others

>  <URL> (564)
http://www.selleckchem.com/products/Capsaicin(Qutenza).html

>  <CAS Number> (564)
404-86-4

$$$$
