S7448.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (1)
31

>  <Formula> (1)
C5H6ClNO5RRu

>  <MolWeight> (1)
296.62784

>  <Item Name> (1)
CORM-3

>  <Catalog Number> (1)
S7448

>  <Synonyms> (1)
N/A

>  <Target> (1)
Immunology & Inflammation related

>  <Form> (1)
Complex

>  <URL> (1)
http://www.selleckchem.com/products/corm-3.html

>  <CAS Number> (1)
475473-26-8

$$$$
RAPAMYCIN.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (2)
32

>  <Formula> (2)
C51H79NO13

>  <MolWeight> (2)
914.17186

>  <Item Name> (2)
Rapamycin (Sirolimus)

>  <Catalog Number> (2)
S1039

>  <Synonyms> (2)
N/A 

>  <Target> (2)
mTOR 

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
53123-88-9

$$$$
untitled.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (3)
48

>  <Formula> (3)
C28H30N6OS

>  <MolWeight> (3)
498.6424

>  <Item Name> (3)
Masitinib (AB1010)

>  <Catalog Number> (3)
S1064

>  <Synonyms> (3)
N/A 

>  <Target> (3)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (3)
790299-79-5

$$$$
Everolimus.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (4)
87

>  <Formula> (4)
C53H83NO14

>  <MolWeight> (4)
958.22442

>  <Item Name> (4)
Everolimus (RAD001)

>  <Catalog Number> (4)
S1120

>  <Synonyms> (4)
Certican, Zortress, Afinitor

>  <Target> (4)
mTOR

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/Everolimus(RAD001).html

>  <CAS Number> (4)
159351-69-6

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (5)
150

>  <Formula> (5)
C20H22N8O5

>  <MolWeight> (5)
454.43928

>  <Item Name> (5)
Abitrexate (Methotrexate)

>  <Catalog Number> (5)
S1210

>  <Synonyms> (5)
Methotrexate, Rheumatrex, Trexall

>  <Target> (5)
DHFR

>  <Form> (5)
Free Base

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

>  <CAS Number> (5)
59-05-2

$$$$
Imiquimod.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (6)
151

>  <Formula> (6)
C14H16N4

>  <MolWeight> (6)
240.30364

>  <Item Name> (6)
Imiquimod

>  <Catalog Number> (6)
S1211

>  <Synonyms> (6)
Aldara

>  <Target> (6)
Immunology & Inflammation related

>  <Form> (6)
Free Base

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

>  <CAS Number> (6)
99011-02-6

$$$$
Dexrazoxane Hydrochloride.cdx
csChFnd80/10101813212D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
158

>  <Formula> (7)
C11H17ClN4O4

>  <MolWeight> (7)
304.73008

>  <Item Name> (7)
Dexrazoxane Hydrochloride

>  <Catalog Number> (7)
S1222

>  <Synonyms> (7)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (7)
Others

>  <Form> (7)
Hydrochloride

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

>  <CAS Number> (7)
149003-01-0

$$$$
leflunomide.cdx
csChFnd80/10101813212D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (8)
172

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Leflunomide

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S1247

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Arava

>  <Target> (8)
Dehydrogenase

>  <Form> (8)
Free Base

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

>  <CAS Number> (8)
75706-12-6

$$$$
nepafenac.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (9)
176

>  <Formula> (9)
C15H14N2O2

>  <MolWeight> (9)
254.28386

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Nepafenac

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S1255

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Nevanac

>  <Target> (9)
COX

>  <Form> (9)
Free Base

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

>  <CAS Number> (9)
78281-72-8

$$$$
Celecoxib.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (10)
183

>  <Formula> (10)
C17H14F3N3O2S

>  <MolWeight> (10)
381.3721696

>  <Item Name> (10)
Celecoxib

>  <Catalog Number> (10)
S1261

>  <Synonyms> (10)
Celebrex, Celebra 

>  <Target> (10)
COX

>  <Form> (10)
Free Base

>  <URL> (10)
http://www.selleckchem.com/products/Celecoxib.html

>  <CAS Number> (10)
169590-42-5

$$$$
Adapalene.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (11)
189

>  <Formula> (11)
C28H28O3

>  <MolWeight> (11)
412.52012

>  <Item Name> (11)
Adapalene

>  <Catalog Number> (11)
S1276

>  <Synonyms> (11)
Differin

>  <Target> (11)
Retinoid Receptor

>  <Form> (11)
Free Base

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

>  <CAS Number> (11)
106685-40-9

$$$$
Budesonide.cdx
csChFnd80/10101813212D

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 26 32  1  6  0  0  0
 26 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (12)
196

>  <Formula> (12)
C25H34O6

>  <MolWeight> (12)
430.53386

>  <Item Name> (12)
Budesonide

>  <Catalog Number> (12)
S1286

>  <Synonyms> (12)
N/A

>  <Target> (12)
Glucocorticoid Receptor

>  <Form> (12)
Free Base

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

>  <CAS Number> (12)
51333-22-3

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/10101813212D

 29 29  0  0  0  0  0  0  0  0999 V2000
    9.6727    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6769    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6769    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0438    6.9903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7265    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9347    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1429    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5594    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7676    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5594    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6117    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2118    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
  9 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  9  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (13)
200

>  <Formula> (13)
C21H27Cl3N2O3

>  <MolWeight> (13)
461.80968

>  <Item Name> (13)
Cetirizine Dihydrochloride

>  <Catalog Number> (13)
S1291

>  <Synonyms> (13)
Zyrtec, Reactine

>  <Target> (13)
Histamine Receptor

>  <Form> (13)
Dihydrochloride

>  <URL> (13)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (13)
83881-52-1

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/10101813212D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8287    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 N   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
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9843    4.0760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 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  8  1  0  0  0  0
M  END
>  <Mol_ID> (14)
205

>  <Formula> (14)
C17H22ClNO

>  <MolWeight> (14)
291.81568

>  <Item Name> (14)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (14)
S1866

>  <Synonyms> (14)
Dimedrol

>  <Target> (14)
Histamine Receptor

>  <Form> (14)
Hydrochloride

>  <URL> (14)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (14)
147-24-0 

$$$$
Antipyrine.cdx
csChFnd80/10101813212D

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.1449    1.3981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    2.2791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5586    3.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3190    2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    4.7603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    0.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6260    1.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  3  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
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
  2  7  1  0  0  0  0
  5 13  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
>  <Mol_ID> (15)
208

>  <Formula> (15)
C11H12N2O

>  <MolWeight> (15)
188.22578

>  <Item Name> (15)
Antipyrine

>  <Catalog Number> (15)
S3173

>  <Synonyms> (15)
N/A 

>  <Target> (15)
COX

>  <Form> (15)
Free Base

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

>  <CAS Number> (15)
60-80-0

$$$$
Deflazacort.cdx
csChFnd80/10101813212D

 36 40  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
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    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
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  5 23  1  1  0  0  0
 14 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 16 27  1  1  0  0  0
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 28 34  2  0  0  0  0
 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (16)
210

>  <Formula> (16)
C25H31NO6

>  <MolWeight> (16)
441.51674

>  <Item Name> (16)
Deflazacort (Calcort)

>  <Catalog Number> (16)
S1888

>  <Synonyms> (16)
Cortax, Decortil, Deflanil

>  <Target> (16)
Glucocorticoid Receptor

>  <Form> (16)
Free Base

>  <URL> (16)
http://www.selleckchem.com/products/Deflazacor.html

>  <CAS Number> (16)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/10101813212D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.0614    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3635    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893    6.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7893    6.7948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4893    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8893    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893    9.2197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9893    9.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6893   10.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (17)
211

>  <Formula> (17)
C12H21N5O2S2

>  <MolWeight> (17)
331.45744

>  <Item Name> (17)
Nizatidine

>  <Catalog Number> (17)
S1890

>  <Synonyms> (17)
Axid

>  <Target> (17)
Histamine Receptor

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/Nizatidine(Axid).html

>  <CAS Number> (17)
76963-41-2

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/10101813212D

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>  <Mol_ID> (18)
233

>  <Formula> (18)
C21H27FO6

>  <MolWeight> (18)
394.4338832

>  <Item Name> (18)
Triamcinolone (Aristocort)

>  <Catalog Number> (18)
S1933

>  <Synonyms> (18)
N/A

>  <Target> (18)
Glucocorticoid Receptor

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/Triamcinolone(Aristocort).html

>  <CAS Number> (18)
124-94-7

$$$$
Ifosfamide.cdx
csChFnd80/10101813212D

 14 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (19)
243

>  <Formula> (19)
C7H15Cl2N2O2P

>  <MolWeight> (19)
261.085961

>  <Item Name> (19)
Ifosfamide

>  <Catalog Number> (19)
S1302

>  <Synonyms> (19)
Mitoxana, Ifex

>  <Target> (19)
DNA/RNA Synthesis

>  <Form> (19)
Free Base

>  <URL> (19)
http://www.selleckchem.com/products/Ifosfamide.html

>  <CAS Number> (19)
3778-73-2

$$$$
Mercaptopurine.cdx
csChFnd80/10101813212D

 10 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (20)
245

>  <Formula> (20)
C5H4N4S

>  <MolWeight> (20)
152.17706

>  <Item Name> (20)
Mercaptopurine (6-MP)

>  <Catalog Number> (20)
S1305

>  <Synonyms> (20)
N/A

>  <Target> (20)
DNA/RNA Synthesis 

>  <Form> (20)
Free Base

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

>  <CAS Number> (20)
50-44-2

$$$$
Dexamethasone.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (21)
253

>  <Formula> (21)
C22H29FO5

>  <MolWeight> (21)
392.4610632

>  <Item Name> (21)
Dexamethasone

>  <Catalog Number> (21)
S1322

>  <Synonyms> (21)
Decadron

>  <Target> (21)
IL Receptor

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/Dexamethasone.html

>  <CAS Number> (21)
50-02-2

$$$$
Etodolac.cdx
csChFnd80/10101813212D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (22)
256

>  <Formula> (22)
C17H21NO3

>  <MolWeight> (22)
287.35354

>  <Item Name> (22)
Etodolac (Lodine)

>  <Catalog Number> (22)
S1328

>  <Synonyms> (22)
Lodine, Lodine XL

>  <Target> (22)
COX
COX

>  <Form> (22)
Free Base

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

>  <CAS Number> (22)
41340-25-4

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/10101813212D

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 17  9  1  0  0  0  0
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M  END
>  <Mol_ID> (23)
273

>  <Formula> (23)
C22H23ClN2O2

>  <MolWeight> (23)
382.88322

>  <Item Name> (23)
Loratadine

>  <Catalog Number> (23)
S1358

>  <Synonyms> (23)
Alavert, Claritin

>  <Target> (23)
Histamine Receptor

>  <Form> (23)
Free Base

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

>  <CAS Number> (23)
79794-75-5

$$$$
Mianserin hydrochloride.cdx
csChFnd80/10101813212D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 15  3  1  0  0  0  0
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 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (24)
289

>  <Formula> (24)
C18H21ClN2

>  <MolWeight> (24)
300.82574

>  <Item Name> (24)
Mianserin HCl

>  <Catalog Number> (24)
S1382

>  <Synonyms> (24)
ORG GB-94 HCl

>  <Target> (24)
Histamine Receptor(HT receptor)

>  <Form> (24)
Hydrochloride

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

>  <CAS Number> (24)
21535-47-7

$$$$
Mizoribine.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (25)
291

>  <Formula> (25)
C9H13N3O6

>  <MolWeight> (25)
259.21602

>  <Item Name> (25)
Mizoribine (Bredinin)

>  <Catalog Number> (25)
S1384

>  <Synonyms> (25)
HE 69

>  <Target> (25)
DNA/RNA Synthesis

>  <Form> (25)
Free Base

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

>  <CAS Number> (25)
50924-49-7

$$$$
bimatoprost.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (26)
307

>  <Formula> (26)
C25H37NO4

>  <MolWeight> (26)
415.56558

>  <Item Name> (26)
Bimatoprost

>  <Catalog Number> (26)
S1407

>  <Synonyms> (26)
Lumigan

>  <Target> (26)
Immunology & Inflammation related

>  <Form> (26)
Free Base

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

>  <CAS Number> (26)
155206-00-1

$$$$
Tranilast.cdx
csChFnd80/10101813212D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (27)
324

>  <Formula> (27)
C18H17NO5

>  <MolWeight> (27)
327.33128

>  <Item Name> (27)
Tranilast (SB 252218)

>  <Catalog Number> (27)
S1439

>  <Synonyms> (27)
Rizaben, MK 341, Tranpro

>  <Target> (27)
Immunology & Inflammation related

>  <Form> (27)
Free Base

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

>  <CAS Number> (27)
53902-12-8
53902-12-8

$$$$
Zileuton.cdx
csChFnd80/10101813212D

 16 17  0  0  0  0  0  0  0  0999 V2000
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C11H12N2O2S

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>  <Item Name> (28)
Zileuton

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S1443

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ZYFLO

>  <Target> (28)
Lipoxygenase

>  <Form> (28)
Free Base

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

>  <CAS Number> (28)
111406-87-2

$$$$
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C26H37FN6O6S2

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LY2228820

>  <Catalog Number> (29)
S1494

>  <Synonyms> (29)
N/A

>  <Target> (29)
p38 MAPK

>  <Form> (29)
Dimesylate

>  <URL> (29)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (29)
862507-23-1

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/10101813212D

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>  <Mol_ID> (30)
371

>  <Formula> (30)
C23H31NO7

>  <MolWeight> (30)
433.49474

>  <Item Name> (30)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (30)
S1501

>  <Synonyms> (30)
CellCept, RS 61443, TM-MMF

>  <Target> (30)
Dehydrogenase

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (30)
128794-94-5

$$$$
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   13.9314   14.8204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 59 78  1  0  0  0  0
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M  END
>  <Mol_ID> (31)
378

>  <Formula> (31)
C62H111N11O12

>  <MolWeight> (31)
1202.61124

>  <Item Name> (31)
Cyclosporine (Neoral)

>  <Catalog Number> (31)
S1514

>  <Synonyms> (31)
Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

>  <Target> (31)
phosphatase

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/Cyclosporine.html

>  <CAS Number> (31)
79217-60-0

$$$$
NEOPROFEN (ibuprofen lysine).cdx
csChFnd80/10101813212D

 25 24  0  0  0  0  0  0  0  0999 V2000
    3.6373   10.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5196    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    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
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  8  9  1  0  0  0  0
  8 10  1  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
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 16 24  1  0  0  0  0
 16 25  2  0  0  0  0
M  END
>  <Mol_ID> (32)
381

>  <Formula> (32)
C19H32N2O4

>  <MolWeight> (32)
352.46838

>  <Item Name> (32)
Ibuprofen Lysine (NeoProfen)

>  <Catalog Number> (32)
S1518

>  <Synonyms> (32)
NeoProfen

>  <Target> (32)
COX

>  <Form> (32)
Lysine

>  <URL> (32)
http://www.selleckchem.com/products/Ibuprofen-Lysine(Motrin).html

>  <CAS Number> (32)
57469-77-9

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/10101813212D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.8000    4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.7206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.2957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000    4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.0833    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
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
  4  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 12  1  0  0  0  0
  4 11  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (33)
396

>  <Formula> (33)
C16H22ClN3

>  <MolWeight> (33)
291.81898

>  <Item Name> (33)
Tripelennamine HCl

>  <Catalog Number> (33)
S3146

>  <Synonyms> (33)
N/A 

>  <Target> (33)
Histamine Receptor

>  <Form> (33)
HCl

>  <URL> (33)
http://www.selleckchem.com/products/tripelennamine-hydrochloride.html

>  <CAS Number> (33)
154-69-8

$$$$
Febuxostat.cdx
csChFnd80/10101813212D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6902    4.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6451    3.2409    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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  1  7  1  0  0  0  0
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  2  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
 11 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 17 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (34)
402

>  <Formula> (34)
C16H16N2O3S

>  <MolWeight> (34)
316.37484

>  <Item Name> (34)
Febuxostat (Uloric)

>  <Catalog Number> (34)
S1547

>  <Synonyms> (34)
Adenuric

>  <Target> (34)
Others

>  <Form> (34)
Free Base

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

>  <CAS Number> (34)
144060-53-7

$$$$
Azelastine hydrochloride.cdx
csChFnd80/10101813212D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9903    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.5562    6.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9393    8.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4446    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  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  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 12  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (35)
406

>  <Formula> (35)
C22H25Cl2N3O

>  <MolWeight> (35)
418.3594

>  <Item Name> (35)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (35)
S2552 

>  <Synonyms> (35)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (35)
Histamine Receptor

>  <Form> (35)
Hydrochloride

>  <URL> (35)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (35)
79307-93-0

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/10101813212D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0595    0.0000 C   0  0  0  0  0  0  0  0  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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 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (36)
418

>  <Formula> (36)
C13H11N3O4

>  <MolWeight> (36)
273.24414

>  <Item Name> (36)
Pomalidomide

>  <Catalog Number> (36)
S1567

>  <Synonyms> (36)
CC-4047

>  <Target> (36)
TNF-alpha, COX

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

>  <CAS Number> (36)
19171-19-8

$$$$
AVAGE (tazarotene).cdx
csChFnd80/10101813212D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.6808    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
420

>  <Formula> (37)
C21H21NO2S

>  <MolWeight> (37)
351.46194

>  <Item Name> (37)
Tazarotene (Avage)

>  <Catalog Number> (37)
S1569

>  <Synonyms> (37)
Tazorac, Avage, Zora

>  <Target> (37)
Retinoid Receptor

>  <Form> (37)
Free Base

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

>  <CAS Number> (37)
118292-40-3

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/10101813212D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 33 28  1  0  0  0  0
 14 34  1  0  0  0  0
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 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (38)
425

>  <Formula> (38)
C31H37N5O3

>  <MolWeight> (38)
527.65718

>  <Item Name> (38)
BIRB 796 (Doramapimod)

>  <Catalog Number> (38)
S1574

>  <Synonyms> (38)
N/A

>  <Target> (38)
p38 MAPK

>  <Form> (38)
Free Base

>  <URL> (38)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (38)
285983-48-4

$$$$
FERNISONE (prednisone).cdx
csChFnd80/10101813212D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (39)
451

>  <Formula> (39)
C21H26O5

>  <MolWeight> (39)
358.42814

>  <Item Name> (39)
Prednisone (Adasone)

>  <Catalog Number> (39)
S1622

>  <Synonyms> (39)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (39)
Glucocorticoid Receptor

>  <Form> (39)
Free Base

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

>  <CAS Number> (39)
53-03-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/10101813212D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 10  2  0  0  0  0
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M  END
>  <Mol_ID> (40)
452

>  <Formula> (40)
C5H9NO3S

>  <MolWeight> (40)
163.19486

>  <Item Name> (40)
Acetylcysteine

>  <Catalog Number> (40)
S1623

>  <Synonyms> (40)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (40)
AChR

>  <Form> (40)
Free Base

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

>  <CAS Number> (40)
616-91-1

$$$$
Naproxen sodium.cdx
csChFnd80/10101813212D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0976    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  1  6  0  0  0
M  END
>  <Mol_ID> (41)
455

>  <Formula> (41)
C14H13NaO3

>  <MolWeight> (41)
252.24099

>  <Item Name> (41)
Naproxen Sodium

>  <Catalog Number> (41)
S1626

>  <Synonyms> (41)
Anaprox, Naprelan 

>  <Target> (41)
COX

>  <Form> (41)
Sodium Salt

>  <URL> (41)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (41)
26159-34-2

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/10101813212D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 26  1  6  0  0  0
 17 28  1  6  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (42)
457

>  <Formula> (42)
C24H31FO6

>  <MolWeight> (42)
434.4977432

>  <Item Name> (42)
Triamcinolone Acetonide

>  <Catalog Number> (42)
S1628

>  <Synonyms> (42)
Azmacort

>  <Target> (42)
Glucocorticoid Receptor

>  <Form> (42)
Free Base

>  <URL> (42)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

>  <CAS Number> (42)
76-25-5 

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/10101813212D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834    3.2220    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (43)
460

>  <Formula> (43)
C5H4N4NaO+

>  <MolWeight> (43)
159.10123

>  <Item Name> (43)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (43)
S1631

>  <Synonyms> (43)
 Lopurin, Zyloprim, Aloprim

>  <Target> (43)
Others

>  <Form> (43)
Sodium Salt

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

>  <CAS Number> (43)
17795-21-0

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/10101813212D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.3726    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3726    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5270    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7395    3.8571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    3.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    1.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    3.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    4.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998    5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4366    4.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8060    4.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2386    5.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3019    6.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9325    6.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9989    7.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300    8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6033    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5368    5.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0344    7.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3991    7.6982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.7514    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6991    8.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0991    6.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7413    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0936    7.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4560    8.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4660    9.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1137    9.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1272   10.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  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
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
 33 36  2  0  0  0  0
 36 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 33  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (44)
461

>  <Formula> (44)
C31H33N3O6S

>  <MolWeight> (44)
575.67522

>  <Item Name> (44)
Zafirlukast (Accolate)

>  <Catalog Number> (44)
S1633

>  <Synonyms> (44)
Accolate, Accoleit, Vanticon

>  <Target> (44)
LTR

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/Zafirlukast(Accolate).html

>  <CAS Number> (44)
107753-78-6

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/10101813212D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    6.0706    0.7024    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
    4.8540    2.8098    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 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
    7.2831    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (45)
464

>  <Formula> (45)
C13H18O2

>  <MolWeight> (45)
206.28082

>  <Item Name> (45)
Ibuprofen (Advil)

>  <Catalog Number> (45)
S1638

>  <Synonyms> (45)
Brufen, Nurofen, Motrin 

>  <Target> (45)
COX

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/Ibuprofen(Advil).html

>  <CAS Number> (45)
15687-27-1

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/10101813212D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (46)
470

>  <Formula> (46)
C16H14O3

>  <MolWeight> (46)
254.28056

>  <Item Name> (46)
Ketoprofen (Actron)

>  <Catalog Number> (46)
S1645

>  <Synonyms> (46)
Orudis, Oruvail 

>  <Target> (46)
COX

>  <Form> (46)
Free Base

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

>  <CAS Number> (46)
22071-15-4

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/10101813212D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.5403    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    3.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6947    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    6.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    6.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029    1.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029    6.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0898    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7874    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8801    1.3188    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  1  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  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 12  2  0  0  0  0
 12  6  1  0  0  0  0
  7 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  7  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  2  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (47)
480

>  <Formula> (47)
C19H20N2O2

>  <MolWeight> (47)
308.3743

>  <Item Name> (47)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (47)
S1654

>  <Synonyms> (47)
Bute, Butazolidin, Butatron 

>  <Target> (47)
COX

>  <Form> (47)
Free Base

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

>  <CAS Number> (47)
50-33-9

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/10101813212D

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9306    6.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2782    5.8857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872    6.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5249    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8973    5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5114    8.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1503   10.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  2  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 14 27  1  1  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (48)
486

>  <Formula> (48)
C24H31ClO7

>  <MolWeight> (48)
466.95174

>  <Item Name> (48)
Loteprednol etabonate

>  <Catalog Number> (48)
S1669

>  <Synonyms> (48)
Alrex, Lotemax

>  <Target> (48)
Glucocorticoid Receptor

>  <Form> (48)
Free Base

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

>  <CAS Number> (48)
82034-46-6

$$$$
APRISO (mesalamine).cdx
csChFnd80/10101813212D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (49)
493

>  <Formula> (49)
C7H7NO3

>  <MolWeight> (49)
153.13538

>  <Item Name> (49)
Mesalamine (Lialda)

>  <Catalog Number> (49)
S1681

>  <Synonyms> (49)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (49)
I¦ÊB/IKK

>  <Form> (49)
Free Base

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

>  <CAS Number> (49)
89-57-6

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/10101813212D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9394    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    6.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  2  0  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 17 26  1  6  0  0  0
 17 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (50)
496

>  <Formula> (50)
C22H28O5

>  <MolWeight> (50)
372.45472

>  <Item Name> (50)
Betapar (Meprednisone)

>  <Catalog Number> (50)
S1689

>  <Synonyms> (50)
Betanisona

>  <Target> (50)
Glucocorticoid Receptor

>  <Form> (50)
Free Base

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

>  <CAS Number> (50)
1247-42-3

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/10101813212D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (51)
497

>  <Formula> (51)
C27H37FO6

>  <MolWeight> (51)
476.5774832

>  <Item Name> (51)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (51)
S1690

>  <Synonyms> (51)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (51)
Glucocorticoid Receptor

>  <Form> (51)
Free Base

>  <URL> (51)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (51)
2152-44-5 

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (52)
499

>  <Formula> (52)
C6H14O6S2

>  <MolWeight> (52)
246.30176

>  <Item Name> (52)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (52)
S1692

>  <Synonyms> (52)
Myleran, Busulfex

>  <Target> (52)
NULL

>  <Form> (52)
Free Base

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

>  <CAS Number> (52)
55-98-1

$$$$
DESOWEN (desonide).cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (53)
504

>  <Formula> (53)
C24H32O6

>  <MolWeight> (53)
416.50728

>  <Item Name> (53)
Desonide

>  <Catalog Number> (53)
S1701

>  <Synonyms> (53)
Locapred, Topifug, Tridesilon

>  <Target> (53)
Glucocorticoid Receptor

>  <Form> (53)
Free Base

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

>  <CAS Number> (53)
638-94-8

$$$$
FELDENE (piroxicam).cdx
csChFnd80/10101813212D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (54)
514

>  <Formula> (54)
C15H13N3O4S

>  <MolWeight> (54)
331.34642

>  <Item Name> (54)
Piroxicam (Feldene)

>  <Catalog Number> (54)
S1713

>  <Synonyms> (54)
Roxam

>  <Target> (54)
COX 

>  <Form> (54)
Free Base

>  <URL> (54)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (54)
36322-90-4

$$$$
IMURAN (azathioprine).cdx
csChFnd80/10101813212D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (55)
519

>  <Formula> (55)
C9H7N7O2S

>  <MolWeight> (55)
277.26258

>  <Item Name> (55)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (55)
S1721

>  <Synonyms> (55)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (55)
Rho

>  <Form> (55)
Free Base

>  <URL> (55)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

>  <CAS Number> (55)
446-86-6

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/10101813212D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (56)
520

>  <Formula> (56)
C19H16ClNO4

>  <MolWeight> (56)
357.78764

>  <Item Name> (56)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (56)
S1723

>  <Synonyms> (56)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (56)
COX

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (56)
53-86-1

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/10101813212D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (57)
525

>  <Formula> (57)
C22H30O5

>  <MolWeight> (57)
374.4706

>  <Item Name> (57)
Methylprednisolone

>  <Catalog Number> (57)
S1733

>  <Synonyms> (57)
Medrol, Solu-Medrol, Medrone

>  <Target> (57)
Glucocorticoid Receptor

>  <Form> (57)
Free Base

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

>  <CAS Number> (57)
83-43-2

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/10101813212D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2279    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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M  END
>  <Mol_ID> (58)
526

>  <Formula> (58)
C14H13N3O4S2

>  <MolWeight> (58)
351.40072

>  <Item Name> (58)
Meloxicam (Mobic)

>  <Catalog Number> (58)
S1734

>  <Synonyms> (58)
Metacam, Parocin 

>  <Target> (58)
COX

>  <Form> (58)
Free Base

>  <URL> (58)
http://www.selleckchem.com/products/Meloxicam(Mobic).html

>  <CAS Number> (58)
71125-38-7

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/10101813212D

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (59)
555

>  <Formula> (59)
C13H23ClN4O3S

>  <MolWeight> (59)
350.86472

>  <Item Name> (59)
Ranitidine Hydrochloride

>  <Catalog Number> (59)
S1801

>  <Synonyms> (59)
AH19065

>  <Target> (59)
Histamine Receptor antagonist

>  <Form> (59)
Hydrochloride

>  <URL> (59)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (59)
66357-59-3

$$$$
cimetidine.cdx
csChFnd80/10101813212D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (60)
567

>  <Formula> (60)
C10H16N6S

>  <MolWeight> (60)
252.33924

>  <Item Name> (60)
Cimetidine (Tagamet)

>  <Catalog Number> (60)
S1845

>  <Synonyms> (60)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (60)
NULL

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (60)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/10101813212D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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C25H30ClNO5

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Clemastine Fumarate

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S1847

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Tavist, Agasten 

>  <Target> (61)
Histamine Receptor

>  <Form> (61)
Fumarate

>  <URL> (61)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

>  <CAS Number> (61)
14976-57-9

$$$$
Levamisole Hydrochloride.cdx
csChFnd80/10101813212D

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C11H13ClN2S

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(-)-Tetramisole 

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S1939

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Ergamisol

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Immunology & Inflammation related

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Hydrochloride

>  <URL> (62)
http://www.selleckchem.com/products/Levamisole-Hydrochloride(Ergamisol).html

>  <CAS Number> (62)
16595-80-5 

$$$$
untitled.cdx
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>  <Mol_ID> (63)
592

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Maraviroc

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S2003

>  <Synonyms> (63)
UK-427857, Celsentri 

>  <Target> (63)
CCR5 

>  <Form> (63)
Free Base

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

>  <CAS Number> (63)
376348-65-1

$$$$
Sulindac.cdx
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>  <Mol_ID> (64)
596

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>  <Item Name> (64)
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Clinoril, Aflodac, Sulreuma

>  <Target> (64)
NULL

>  <Form> (64)
Free Base

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

>  <CAS Number> (64)
38194-50-2

$$$$
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (65)
605

>  <Formula> (65)
C20H20O7

>  <MolWeight> (65)
372.3686

>  <Item Name> (65)
Tangeretin (Tangeritin)

>  <Catalog Number> (65)
S2363

>  <Synonyms> (65)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (65)
ROS

>  <Form> (65)
Free Base

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

>  <CAS Number> (65)
481-53-8

$$$$
Dexamethasone acetate.cdx
csChFnd80/10101813212D

 33 36  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
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  6  1  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 11 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
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 17 32  1  6  0  0  0
 16 33  1  6  0  0  0
M  END
>  <Mol_ID> (66)
656

>  <Formula> (66)
C24H31FO6

>  <MolWeight> (66)
434.4977432

>  <Item Name> (66)
Dexamethasone acetate

>  <Catalog Number> (66)
S3124

>  <Synonyms> (66)
N/A

>  <Target> (66)
IL Receptor,Autophagy

>  <Form> (66)
Free Base

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

>  <CAS Number> (66)
1177-87-3

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/10101813212D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.0577    6.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    5.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4826    5.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2701    7.2620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6447    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1808    0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
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 21 13  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (67)
679

>  <Formula> (67)
C19H19ClN2

>  <MolWeight> (67)
310.82056

>  <Item Name> (67)
Desloratadine 

>  <Catalog Number> (67)
S4012

>  <Synonyms> (67)
N/A

>  <Target> (67)
Histamine Receptor

>  <Form> (67)
Free Base

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

>  <CAS Number> (67)
100643-71-8

$$$$
R 788.cdx
csChFnd80/10101813212D

 42 43  0  0  0  0  0  0  0  0999 V2000
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 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
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M  END
>  <Mol_ID> (68)
700

>  <Formula> (68)
C23H24FN6Na2O9P

>  <MolWeight> (68)
624.4231642

>  <Item Name> (68)
R935788 (Fostamatinib disodium)

>  <Catalog Number> (68)
S2206

>  <Synonyms> (68)
N/A 

>  <Target> (68)
Syk

>  <Form> (68)
Sodium Salt

>  <URL> (68)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

>  <CAS Number> (68)
1025687-58-4

$$$$
Cyclosporin A.cdx
csChFnd80/10101813212D

 85 85  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (69)
738

>  <Formula> (69)
C62H111N11O12

>  <MolWeight> (69)
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>  <Item Name> (69)
Cyclosporin A

>  <Catalog Number> (69)
S2286

>  <Synonyms> (69)
Cyclosporine A

>  <Target> (69)
phosphatase

>  <Form> (69)
Free Base

>  <URL> (69)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (69)
59865-13-3

$$$$
Diosmin.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (70)
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>  <Formula> (70)
C28H32O15

>  <MolWeight> (70)
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>  <Item Name> (70)
Diosmin

>  <Catalog Number> (70)
S2292

>  <Synonyms> (70)
N/A

>  <Target> (70)
Others

>  <Form> (70)
Free Base

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

>  <CAS Number> (70)
520-27-4

$$$$
Hesperetin.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (71)
757

>  <Formula> (71)
C16H14O6

>  <MolWeight> (71)
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>  <Item Name> (71)
Hesperetin

>  <Catalog Number> (71)
S2308

>  <Synonyms> (71)
N/A

>  <Target> (71)
Histamine Receptor

>  <Form> (71)
Free Base

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

>  <CAS Number> (71)
520-33-2

$$$$
Rutaecarpine.cdx
csChFnd80/10101813212D

 22 26  0  0  0  0  0  0  0  0999 V2000
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    5.6805    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    2.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8929    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5302    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5302    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    6.8435    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
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17  5  1  0  0  0  0
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 18 19  2  0  0  0  0
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  6 22  2  0  0  0  0
M  END
>  <Mol_ID> (72)
790

>  <Formula> (72)
C18H13N3O

>  <MolWeight> (72)
287.31532

>  <Item Name> (72)
Rutaecarpine (Rutecarpine)

>  <Catalog Number> (72)
S2349

>  <Synonyms> (72)
Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine 

>  <Target> (72)
COX

>  <Form> (72)
Free Base

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

>  <CAS Number> (72)
84-26-4

$$$$
Rutin DAB10.cdx
csChFnd80/10101813212D

 43 47  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  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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 16 11  1  0  0  0  0
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 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
  2 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
  3 34  2  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 25  1  1  0  0  0
 15 37  1  1  0  0  0
 22 38  1  1  0  0  0
 21 39  1  6  0  0  0
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 14 42  1  6  0  0  0
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M  END
>  <Mol_ID> (73)
791

>  <Formula> (73)
C27H30O16

>  <MolWeight> (73)
610.5175

>  <Item Name> (73)
Rutin (Rutoside)

>  <Catalog Number> (73)
S2350

>  <Synonyms> (73)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (73)
NULL

>  <Form> (73)
Free Base

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

>  <CAS Number> (73)
153-18-4

$$$$
Salicin.cdx
csChFnd80/10101813212D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    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
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  1  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
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 15 16  1  0  0  0  0
  1 17  1  1  0  0  0
 17 18  1  0  0  0  0
  2 19  1  6  0  0  0
  3 20  1  1  0  0  0
M  END
>  <Mol_ID> (74)
792

>  <Formula> (74)
C13H18O7

>  <MolWeight> (74)
286.27782

>  <Item Name> (74)
Salicin (Salicoside, Salicine)

>  <Catalog Number> (74)
S2351

>  <Synonyms> (74)
Salicoside, Salicine

>  <Target> (74)
COX

>  <Form> (74)
Free Base

>  <URL> (74)
http://www.selleckchem.com/products/Salicin(Salicoside,-Salicine).html

>  <CAS Number> (74)
138-52-3

$$$$
Dihydromyricetin.cdx
csChFnd80/10101813212D

 23 25  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
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  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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
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 15 16  2  0  0  0  0
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 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (75)
794

>  <Formula> (75)
C15H12O8

>  <MolWeight> (75)
320.25098

>  <Item Name> (75)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (75)
S2399

>  <Synonyms> (75)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (75)
Others

>  <Form> (75)
Free Base

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

>  <CAS Number> (75)
27200-12-0

$$$$
Olopatadine HCl.cdx
csChFnd80/10101813212D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    1.0263    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6493    5.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (76)
847

>  <Formula> (76)
C21H24ClNO3

>  <MolWeight> (76)
373.87316

>  <Item Name> (76)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (76)
S2494

>  <Synonyms> (76)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (76)
Histamine Receptor

>  <Form> (76)
Hydrochloride

>  <URL> (76)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (76)
140462-76-6

$$$$
Asaraldehyde.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (77)
873

>  <Formula> (77)
C10H12O4

>  <MolWeight> (77)
196.19988

>  <Item Name> (77)
Asaraldehyde (Asaronaldehyde)

>  <Catalog Number> (77)
S2531

>  <Synonyms> (77)
Asaronaldehyde, Asarylaldehyde, NSC 89299 

>  <Target> (77)
COX

>  <Form> (77)
Free Base

>  <URL> (77)
http://www.selleckchem.com/products/Asaraldehyde-Asaronaldehyde.html

>  <CAS Number> (77)
4460-86-0 

$$$$
P.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (78)
882

>  <Formula> (78)
C43H68ClNO11

>  <MolWeight> (78)
810.45312

>  <Item Name> (78)
Pimecrolimus

>  <Catalog Number> (78)
S5004

>  <Synonyms> (78)
Elidel, SDZ-ASM-981

>  <Target> (78)
Others

>  <Form> (78)
Free Base

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

>  <CAS Number> (78)
137071-32-0

$$$$
CP-690550 citrate.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (79)
888

>  <Formula> (79)
C22H28N6O8

>  <MolWeight> (79)
504.49312

>  <Item Name> (79)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (79)
S5001

>  <Synonyms> (79)
N/A 

>  <Target> (79)
JAK

>  <Form> (79)
Citrate

>  <URL> (79)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (79)
540737-29-9

$$$$
Neohesperidin.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (80)
896

>  <Formula> (80)
C28H34O15

>  <MolWeight> (80)
610.56056

>  <Item Name> (80)
Neohesperidin

>  <Catalog Number> (80)
S2332

>  <Synonyms> (80)
N/A

>  <Target> (80)
ROS

>  <Form> (80)
Free Base

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

>  <CAS Number> (80)
13241-33-3 

$$$$
Acetanilide.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (81)
901

>  <Formula> (81)
C8H9NO

>  <MolWeight> (81)
135.16316

>  <Item Name> (81)
Acetanilide (Antifebrin)

>  <Catalog Number> (81)
S2538

>  <Synonyms> (81)
N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (81)
Others

>  <Form> (81)
Free Base

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

>  <CAS Number> (81)
103-84-4

$$$$
Cortisone acetate.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (82)
916

>  <Formula> (82)
C23H30O6

>  <MolWeight> (82)
402.4807

>  <Item Name> (82)
Cortisone acetate (Cortone)

>  <Catalog Number> (82)
S2559

>  <Synonyms> (82)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (82)
Glucocorticoid Receptor

>  <Form> (82)
Free Base

>  <URL> (82)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (82)
50-04-4

$$$$
R7935788.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (83)
932

>  <Formula> (83)
C23H26FN6O9P

>  <MolWeight> (83)
580.4595042

>  <Item Name> (83)
R788 (Fostamatinib)

>  <Catalog Number> (83)
S2625

>  <Synonyms> (83)
N/A 

>  <Target> (83)
Syk

>  <Form> (83)
Free Base

>  <URL> (83)
http://www.selleckchem.com/products/R7935788-Fostamatinib.html

>  <CAS Number> (83)
901119-35-5

$$$$
BMS806.cdx
csChFnd80/10101813212D

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N/A 

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gp120/CD4

>  <Form> (84)
Free Base

>  <URL> (84)
http://www.selleckchem.com/products/bms806.html

>  <CAS Number> (84)
357263-13-9 

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csChFnd80/10101813212D

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960

>  <Formula> (85)
C23H33NO7S2

>  <MolWeight> (85)
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>  <Item Name> (85)
Suplatast tosylate

>  <Catalog Number> (85)
S2015

>  <Synonyms> (85)
IPD 1151T

>  <Target> (85)
IL Receptor

>  <Form> (85)
Tosylate

>  <URL> (85)
http://www.selleckchem.com/products/suplatast-tosilate.html

>  <CAS Number> (85)
94055-76-2

$$$$
LIDEX-E (fluocinonide).cdx
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>  <Mol_ID> (86)
966

>  <Formula> (86)
C26H32F2O7

>  <MolWeight> (86)
494.5248864

>  <Item Name> (86)
Fluocinonide (Vanos)

>  <Catalog Number> (86)
S2608

>  <Synonyms> (86)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (86)
Glucocorticoid Receptor

>  <Form> (86)
Free Base

>  <URL> (86)
http://www.selleckchem.com/products/Fluocinonide(Vanos).html

>  <CAS Number> (86)
356-12-7

$$$$
Curcumin.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (87)
968

>  <Formula> (87)
C21H20O6

>  <MolWeight> (87)
368.3799

>  <Item Name> (87)
Curcumin

>  <Catalog Number> (87)
S1848

>  <Synonyms> (87)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (87)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (87)
Free Base

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

>  <CAS Number> (87)
458-37-7

$$$$
Ciproxifan.cdx
csChFnd80/10101813212D

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    3.4282    4.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.3741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    5.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5277    5.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8277    4.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6574    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9574    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5574    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8574    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0574    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9574    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5574    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4574    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 10  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
 13 17  1  0  0  0  0
 12 15  1  0  0  0  0
  6  9  1  0  0  0  0
  1  3  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 20  1  0  0  0  0
  1 18  1  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
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (88)
969

>  <Formula> (88)
C20H22N2O6

>  <MolWeight> (88)
386.39848

>  <Item Name> (88)
Ciproxifan Maleate

>  <Catalog Number> (88)
S2813

>  <Synonyms> (88)
FUB 359

>  <Target> (88)
Histamine Receptor 

>  <Form> (88)
Maleate

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

>  <CAS Number> (88)
184025-19-2

$$$$
Prednisolone acetate.cdx
csChFnd80/10101813212D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2261    6.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8919    6.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5737    6.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5636    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    8.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9112    7.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5 22  1  1  0  0  0
  9 23  1  1  0  0  0
 14 24  1  1  0  0  0
 12 25  1  1  0  0  0
 10 26  1  6  0  0  0
 11 27  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (89)
972

>  <Formula> (89)
C23H30O6

>  <MolWeight> (89)
402.4807

>  <Item Name> (89)
Prednisolone acetate (Omnipred)

>  <Catalog Number> (89)
S2570

>  <Synonyms> (89)
Omnipred

>  <Target> (89)
Glucocorticoid Receptor

>  <Form> (89)
Free Base

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

>  <CAS Number> (89)
52-21-1

$$$$
Dimethyl Fumarate.cdx
csChFnd80/10101813212D

 10  9  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
    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
    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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (90)
973

>  <Formula> (90)
C6H8O4

>  <MolWeight> (90)
144.12532

>  <Item Name> (90)
Dimethyl Fumarate

>  <Catalog Number> (90)
S2586 

>  <Synonyms> (90)
N/A

>  <Target> (90)
Others

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

>  <CAS Number> (90)
624-49-7

$$$$
Brompheniramine maleate.cdx
csChFnd80/10101813212D

 27 27  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 N   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
    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
    0.0000    0.0024    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.5289    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9496    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9496    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5332    2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    0.7243    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
  2  4  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
  6  8  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  4  1  0  0  0  0
  1 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  1  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  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  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (91)
1002

>  <Formula> (91)
C20H23BrN2O4

>  <MolWeight> (91)
435.31162

>  <Item Name> (91)
Brompheniramine hydrogen maleate

>  <Catalog Number> (91)
S2585

>  <Synonyms> (91)
N/A

>  <Target> (91)
Histamine Receptor

>  <Form> (91)
Maleate

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

>  <CAS Number> (91)
980-71-2

$$$$
Fluticasone propionate.cdx
csChFnd80/10101813212D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    7.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    6.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4268    6.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6350    6.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    8.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    8.1278    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    8.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    7.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    8.1253    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
  7 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 16 27  1  6  0  0  0
 17 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
 29 32  2  0  0  0  0
 23 33  1  0  0  0  0
 23 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (92)
1037

>  <Formula> (92)
C25H31F3O5S

>  <MolWeight> (92)
500.5708496

>  <Item Name> (92)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (92)
S1992

>  <Synonyms> (92)
N/A 

>  <Target> (92)
Glucocorticoid Receptor

>  <Form> (92)
Free Base

>  <URL> (92)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (92)
80474-14-2

$$$$
Ketotifen fumarate.cdx
csChFnd80/10101813212D

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 10  1  1  0  0  0  0
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 17 12  1  0  0  0  0
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 22  5  1  0  0  0  0
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 26 29  1  0  0  0  0
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M  END
>  <Mol_ID> (93)
1039

>  <Formula> (93)
C23H23NO5S

>  <MolWeight> (93)
425.49742

>  <Item Name> (93)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (93)
S2024

>  <Synonyms> (93)
N/A 

>  <Target> (93)
Histamine Receptor

>  <Form> (93)
Fumarate 

>  <URL> (93)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (93)
34580-14-8

$$$$
Meclizine dihydrochloride.cdx
csChFnd80/10101813212D

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (94)
1041

>  <Formula> (94)
C25H29Cl3N2

>  <MolWeight> (94)
463.87016

>  <Item Name> (94)
Meclizine dihydrochloride

>  <Catalog Number> (94)
S1986 

>  <Synonyms> (94)
N/A

>  <Target> (94)
Others

>  <Form> (94)
Dihydrochloride

>  <URL> (94)
http://www.selleckchem.com/products/meclizine-dihydrochloride.html

>  <CAS Number> (94)
1104-22-9

$$$$
Mometasone furoate.cdx
csChFnd80/10101813212D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 14 21  1  1  0  0  0
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 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
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M  END
>  <Mol_ID> (95)
1043

>  <Formula> (95)
C27H30Cl2O6

>  <MolWeight> (95)
521.4295

>  <Item Name> (95)
Mometasone furoate

>  <Catalog Number> (95)
S1987

>  <Synonyms> (95)
N/A

>  <Target> (95)
Glucocorticoid Receptor

>  <Form> (95)
Furoate

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

>  <CAS Number> (95)
83919-23-7

$$$$
Pidotimod.cdx
csChFnd80/10101813212D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (96)
1046

>  <Formula> (96)
C9H12N2O4S

>  <MolWeight> (96)
244.26758

>  <Item Name> (96)
Pidotimod

>  <Catalog Number> (96)
S3106

>  <Synonyms> (96)
N/A 

>  <Target> (96)
Others

>  <Form> (96)
Free Base

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

>  <CAS Number> (96)
121808-62-6

$$$$
Disodium Cromoglycate.cdx
csChFnd80/10101813212D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (97)
1057

>  <Formula> (97)
C23H14Na2O11

>  <MolWeight> (97)
512.3302

>  <Item Name> (97)
Disodium Cromoglycate

>  <Catalog Number> (97)
S1911

>  <Synonyms> (97)
Gynazole

>  <Target> (97)
Calcium Channel

>  <Form> (97)
Disodium Salt

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

>  <CAS Number> (97)
15826-37-6

$$$$
Acemetacin.cdx
csChFnd80/10101813212D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.6139    8.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (98)
1069

>  <Formula> (98)
C21H18ClNO6

>  <MolWeight> (98)
415.82372

>  <Item Name> (98)
Acemetacin (Emflex)

>  <Catalog Number> (98)
S2602

>  <Synonyms> (98)
N/A 

>  <Target> (98)
COX

>  <Form> (98)
Free Base

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

>  <CAS Number> (98)
53164-05-9

$$$$
Clobetasol propionate.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (99)
1073

>  <Formula> (99)
C25H32ClFO5

>  <MolWeight> (99)
466.9699832

>  <Item Name> (99)
Clobetasol propionate

>  <Catalog Number> (99)
S2584

>  <Synonyms> (99)
N/A

>  <Target> (99)
Glucocorticoid Receptor

>  <Form> (99)
Free Base

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

>  <CAS Number> (99)
25122-46-7

$$$$
Phenacetin.cdx
csChFnd80/10101813212D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (100)
1080

>  <Formula> (100)
C10H13NO2

>  <MolWeight> (100)
179.21572

>  <Item Name> (100)
Phenacetin

>  <Catalog Number> (100)
S2577

>  <Synonyms> (100)
N/A

>  <Target> (100)
COX

>  <Form> (100)
Free Base

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

>  <CAS Number> (100)
62-44-2

$$$$
Tolfenamic acid.cdx
csChFnd80/10101813212D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (101)
1085

>  <Formula> (101)
C14H12ClNO2

>  <MolWeight> (101)
261.70358

>  <Item Name> (101)
Tolfenamic acid

>  <Catalog Number> (101)
S1959

>  <Synonyms> (101)
N/A

>  <Target> (101)
COX

>  <Form> (101)
Free Base

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

>  <CAS Number> (101)
13710-19-5

$$$$
Geniposidic acid.cdx
csChFnd80/10101813212D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (102)
1092

>  <Formula> (102)
C16H22O10

>  <MolWeight> (102)
374.33988

>  <Item Name> (102)
Geniposidic acid

>  <Catalog Number> (102)
S2413

>  <Synonyms> (102)
N/A

>  <Target> (102)
Immunology & Inflammation related

>  <Form> (102)
Free Base

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

>  <CAS Number> (102)
27741-01-1

$$$$
Idebenone.cdx
csChFnd80/10101813212D

 24 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (103)
1094

>  <Formula> (103)
C19H30O5

>  <MolWeight> (103)
338.4385

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Idebenone

>  <Catalog Number> (103)
S2605 

>  <Synonyms> (103)
N/A

>  <Target> (103)
ROS

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
58186-27-9

$$$$
Lornoxicam.cdx
csChFnd80/10101813212D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
1108

>  <Formula> (104)
C13H10ClN3O4S2

>  <MolWeight> (104)
371.8192

>  <Item Name> (104)
Lornoxicam (Xefo)

>  <Catalog Number> (104)
S2047

>  <Synonyms> (104)
N/A 

>  <Target> (104)
COX

>  <Form> (104)
Free Base

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

>  <CAS Number> (104)
70374-39-9

$$$$
Nimesulide.cdx
csChFnd80/10101813212D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (105)
1111

>  <Formula> (105)
C13H12N2O5S

>  <MolWeight> (105)
308.30978

>  <Item Name> (105)
Nimesulide

>  <Catalog Number> (105)
S2040

>  <Synonyms> (105)
N/A

>  <Target> (105)
COX

>  <Form> (105)
Free Base

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

>  <CAS Number> (105)
51803-78-2

$$$$
Laquinimod(ABR-215062).cdx
csChFnd80/10101813212D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (106)
1175

>  <Formula> (106)
C19H17ClN2O3

>  <MolWeight> (106)
356.80288

>  <Item Name> (106)
Laquinimod (ABR-215062)

>  <Catalog Number> (106)
S2787 

>  <Synonyms> (106)
N/A 

>  <Target> (106)
Immunology & Inflammation related

>  <Form> (106)
Free Base

>  <URL> (106)
http://www.selleckchem.com/products/laquinimod-abr-215062.html

>  <CAS Number> (106)
248281-84-7

$$$$
CP-690550.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (107)
1177

>  <Formula> (107)
C16H20N6O

>  <MolWeight> (107)
312.3696

>  <Item Name> (107)
Tofacitinib (CP-690550, Tasocitinib)

>  <Catalog Number> (107)
S2789

>  <Synonyms> (107)
Tasocitinib 

>  <Target> (107)
JAK

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (107)
477600-75-2

$$$$
Plerixafor 8HCl.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (108)
1183

>  <Formula> (108)
C28H62Cl8N8

>  <MolWeight> (108)
794.46948

>  <Item Name> (108)
Plerixafor 8HCl (DB06809)

>  <Catalog Number> (108)
S3013 

>  <Synonyms> (108)
AMD3100 

>  <Target> (108)
CXCR

>  <Form> (108)
Octahydrochloride 

>  <URL> (108)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

>  <CAS Number> (108)
155148-31-5

$$$$
Bufexamac.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (109)
1188

>  <Formula> (109)
C12H17NO3

>  <MolWeight> (109)
223.26828

>  <Item Name> (109)
Bufexamac

>  <Catalog Number> (109)
S3023

>  <Synonyms> (109)
N/A 

>  <Target> (109)
HDAC 

>  <Form> (109)
Free Base

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

>  <CAS Number> (109)
2438-72-4

$$$$
Aloperine.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (110)
1195

>  <Formula> (110)
C15H24N2

>  <MolWeight> (110)
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>  <Item Name> (110)
Aloperine

>  <Catalog Number> (110)
S2420 

>  <Synonyms> (110)
N/A 

>  <Target> (110)
Others

>  <Form> (110)
Free Base

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

>  <CAS Number> (110)
56293-29-9

$$$$
Bindarit.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (111)
1199

>  <Formula> (111)
C19H20N2O3

>  <MolWeight> (111)
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>  <Item Name> (111)
Bindarit

>  <Catalog Number> (111)
S3032 

>  <Synonyms> (111)
N/A 

>  <Target> (111)
Others

>  <Form> (111)
Free Base

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

>  <CAS Number> (111)
130641-38-2

$$$$
Thalidomide.cdx
csChFnd80/10101813212D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.4229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.0000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (112)
1226

>  <Formula> (112)
C13H10N2O4

>  <MolWeight> (112)
258.2295

>  <Item Name> (112)
Thalidomide

>  <Catalog Number> (112)
S1193

>  <Synonyms> (112)
Thalomid 

>  <Target> (112)
E3 Ligase ,TNF-alpha

>  <Form> (112)
Free Base

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

>  <CAS Number> (112)
50-35-1

$$$$
L-Arginine hydrochloride.cdx
csChFnd80/10101813212D

 13 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.7342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9264    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  8 10  1  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (113)
1256

>  <Formula> (113)
C6H15ClN4O2

>  <MolWeight> (113)
210.6619

>  <Item Name> (113)
L-Arginine HCl

>  <Catalog Number> (113)
S3174

>  <Synonyms> (113)
N/A 

>  <Target> (113)
NOS

>  <Form> (113)
HCl

>  <URL> (113)
http://www.selleckchem.com/products/l-Arginine-hydrochloride.html

>  <CAS Number> (113)
1119-34-2

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/10101813212D

 12 10  0  0  0  0  0  0  0  0999 V2000
   22.3586    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3586    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5710    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7835    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7835    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5710    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9337    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7213    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5089    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2178    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8178    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (114)
1257

>  <Formula> (114)
C8H14Cl2N2

>  <MolWeight> (114)
209.11616

>  <Item Name> (114)
Betahistine 2HCl

>  <Catalog Number> (114)
S3176

>  <Synonyms> (114)
N/A 

>  <Target> (114)
Histamine Receptor

>  <Form> (114)
2HCl

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

>  <CAS Number> (114)
5579-84-0

$$$$
Fexofenadine HCl.cdx
csChFnd80/10101813212D

 38 40  0  0  0  0  0  0  0  0999 V2000
    4.8413    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1903    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3073    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1487    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1487    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 15  8  1  0  0  0  0
  9 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  9  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 25  1  0  0  0  0
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 33 36  1  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (115)
1276

>  <Formula> (115)
C32H40ClNO4

>  <MolWeight> (115)
538.1173

>  <Item Name> (115)
Fexofenadine HCl

>  <Catalog Number> (115)
S3208

>  <Synonyms> (115)
N/A 

>  <Target> (115)
Histamine Receptor

>  <Form> (115)
hydrochloride

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

>  <CAS Number> (115)
153439-40-8

$$$$
VIOXX (rofecoxib).cdx
csChFnd80/10101813212D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8778    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100    0.6695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3327    4.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    5.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    6.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    4.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5824    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2453    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9543    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 16  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (116)
1286

>  <Formula> (116)
C17H14O4S

>  <MolWeight> (116)
314.35566

>  <Item Name> (116)
Rofecoxib (Vioxx)

>  <Catalog Number> (116)
S3043

>  <Synonyms> (116)
N/A 

>  <Target> (116)
COX

>  <Form> (116)
Free Base

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

>  <CAS Number> (116)
N/A 

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/10101813212D

 24 24  0  0  0  0  0  0  0  0999 V2000
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    3.6331    4.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6332    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4208    2.8000    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
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  5  8  1  0  0  0  0
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  4 10  1  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (117)
1314

>  <Formula> (117)
C18H22Cl2N2O2

>  <MolWeight> (117)
369.28548

>  <Item Name> (117)
Diclofenac Diethylamine

>  <Catalog Number> (117)
S3063

>  <Synonyms> (117)
N/A

>  <Target> (117)
COX

>  <Form> (117)
Diethylamine

>  <URL> (117)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (117)
78213-16-8

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/10101813212D

 20 20  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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    1.2166    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7806    4.0785    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
 12 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (118)
1315

>  <Formula> (118)
C14H10Cl2KNO2

>  <MolWeight> (118)
334.239

>  <Item Name> (118)
Diclofenac Potassium

>  <Catalog Number> (118)
S3062

>  <Synonyms> (118)
N/A

>  <Target> (118)
Immunology & Inflammation related

>  <Form> (118)
Potassium

>  <URL> (118)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (118)
15307-81-0

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/10101813212D

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5180    5.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7304    6.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7304    7.4078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9386    5.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
 16 30  1  1  0  0  0
 10 31  1  6  0  0  0
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 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 17 33  1  6  0  0  0
 14 38  1  1  0  0  0
M  END
>  <Mol_ID> (119)
1321

>  <Formula> (119)
C28H37ClO7

>  <MolWeight> (119)
521.04218

>  <Item Name> (119)
Beclomethasone dipropionate 

>  <Catalog Number> (119)
S3078

>  <Synonyms> (119)
Beclometasone dipropionate

>  <Target> (119)
Glucocorticoid Receptor

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

>  <CAS Number> (119)
5534-09-8

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/10101813212D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   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  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (120)
1330

>  <Formula> (120)
C9H10O3

>  <MolWeight> (120)
166.1739

>  <Item Name> (120)
Apocynin (Acetovanillone)

>  <Catalog Number> (120)
S2425

>  <Synonyms> (120)
N/A

>  <Target> (120)
NADPH oxidase

>  <Form> (120)
Free Base

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

>  <CAS Number> (120)
498-02-2

$$$$
Camostat mesilate.cdx
csChFnd80/10101813212D

 34 34  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    9.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 13 16  1  0  0  0  0
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 17 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  2  0  0  0  0
M  END
>  <Mol_ID> (121)
1337

>  <Formula> (121)
C21H26N4O8S

>  <MolWeight> (121)
494.51814

>  <Item Name> (121)
Camostat Mesilate (FOY-305)

>  <Catalog Number> (121)
S2874

>  <Synonyms> (121)
N/A

>  <Target> (121)
HCV Protease

>  <Form> (121)
Mesilate

>  <URL> (121)
http://www.selleckchem.com/products/camostat-mesilate-foy-305.html

>  <CAS Number> (121)
59721-29-8

$$$$
Rupatadine fumarate.cdx
csChFnd80/10101813212D

 38 41  0  0  0  0  0  0  0  0999 V2000
    8.4780    9.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2639   10.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6421   10.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6321    9.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4101    8.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1978    7.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8567    7.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2054    5.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Histamine Receptor

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Fumarate

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182349-12-8

$$$$
L-NAME HCl.cdx
csChFnd80/10101813212D

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NOS

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Hydrochloride

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http://www.selleckchem.com/products/l-name-hcl.html

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51298-62-5

$$$$
Pirfenidone.cdx
csChFnd80/10101813212D

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TGF-beta/Smad

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Free Base

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53179-13-8

$$$$
Tempol.cdx
csChFnd80/10101813212D

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2226-96-2

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csChFnd80/10101813212D

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N/A

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COX

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http://www.selleckchem.com/products/lumiracoxib-cox-189.html

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220991-20-8

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459168-41-3

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CXCR

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Free Base

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55778-02-4

$$$$
PROFENAL (suprofen).cdx
csChFnd80/10101813212D

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Profenal, Topalgic, Suprol

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COX

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Free Base

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http://www.selleckchem.com/products/Suprofen(Profenal).html

>  <CAS Number> (129)
40828-46-4

$$$$
Pranlukast.cdx
csChFnd80/10101813212D

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1417

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C27H23N5O4

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Pranlukast

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S1829

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>  <Target> (130)
Others

>  <Form> (130)
Free Base

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

>  <CAS Number> (130)
103177-37-3

$$$$
CAVERJECT (alprostadil).cdx
csChFnd80/10101813212D

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1424

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C20H34O5

>  <MolWeight> (131)
354.48096

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S1508

>  <Synonyms> (131)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (131)
Immunology & Inflammation related

>  <Form> (131)
Free Base

>  <URL> (131)
http://www.selleckchem.com/products/Alprostadil(Caverject).html

>  <CAS Number> (131)
745-65-3

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/10101813212D

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>  <Formula> (132)
C19H29ClN2O4

>  <MolWeight> (132)
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>  <Item Name> (132)
Roxatidine acetate HCl

>  <Catalog Number> (132)
S1880

>  <Synonyms> (132)
N/A

>  <Target> (132)
Histamine Receptor

>  <Form> (132)
Hydrochloride

>  <URL> (132)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (132)
93793-83-0

$$$$
Pranoprofen.cdx
csChFnd80/10101813212D

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C15H13NO3

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Pranoprofen

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S1960

>  <Synonyms> (133)
N/A

>  <Target> (133)
COX

>  <Form> (133)
Free Base

>  <URL> (133)
http://www.selleckchem.com/products/pranoprofen.html

>  <CAS Number> (133)
52549-17-4

$$$$
Tiopronin.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (134)
1443

>  <Formula> (134)
C5H9NO3S

>  <MolWeight> (134)
163.19486

>  <Item Name> (134)
Tiopronin (Thiola)

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S2062

>  <Synonyms> (134)
N/A

>  <Target> (134)
ROS

>  <Form> (134)
Free Base

>  <URL> (134)
http://www.selleckchem.com/products/tiopronin-thiola.html

>  <CAS Number> (134)
1953-02-2

$$$$
Lafutidine.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (135)
1446

>  <Formula> (135)
C22H29N3O4S

>  <MolWeight> (135)
431.54836

>  <Item Name> (135)
Lafutidine

>  <Catalog Number> (135)
S2065

>  <Synonyms> (135)
N/A

>  <Target> (135)
Histamine Receptor

>  <Form> (135)
Free Base

>  <URL> (135)
http://www.selleckchem.com/products/lafutidine.html

>  <CAS Number> (135)
118288-08-7

$$$$
Famotidine.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (136)
1453

>  <Formula> (136)
C8H15N7O2S3

>  <MolWeight> (136)
337.4454

>  <Item Name> (136)
Famotidine (Pepcid)

>  <Catalog Number> (136)
S2078

>  <Synonyms> (136)
N/A

>  <Target> (136)
Histamine Receptor

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/famotidine-pepcid.html

>  <CAS Number> (136)
76824-35-6

$$$$
Gabexate mesylate.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (137)
1466

>  <Formula> (137)
C17H27N3O7S

>  <MolWeight> (137)
417.47718

>  <Item Name> (137)
Gabexate mesylate

>  <Catalog Number> (137)
S2101

>  <Synonyms> (137)
N/A

>  <Target> (137)
Proteasome

>  <Form> (137)
Mesylate

>  <URL> (137)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (137)
56974-61-9

$$$$
Flunixin meglumine.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (138)
1469

>  <Formula> (138)
C21H28F3N3O7

>  <MolWeight> (138)
491.4581296

>  <Item Name> (138)
Flunixin meglumin

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S2108

>  <Synonyms> (138)
N/A

>  <Target> (138)
COX

>  <Form> (138)
Meglumin

>  <URL> (138)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (138)
42461-84-7

$$$$
Tenoxicam.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (139)
1484

>  <Formula> (139)
C13H11N3O4S2

>  <MolWeight> (139)
337.37414

>  <Item Name> (139)
Tenoxicam(Mobiflex)

>  <Catalog Number> (139)
S2512

>  <Synonyms> (139)
Mobiflex

>  <Target> (139)
COX

>  <Form> (139)
Free Base

>  <URL> (139)
http://www.selleckchem.com/products/Tenoxicam(Mobiflex).html

>  <CAS Number> (139)
59804-37-4

$$$$
Zaltoprofen.cdx
csChFnd80/10101813212D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (140)
1494

>  <Formula> (140)
C17H14O3S

>  <MolWeight> (140)
298.35626

>  <Item Name> (140)
Zaltoprofen

>  <Catalog Number> (140)
S3008

>  <Synonyms> (140)
N/A

>  <Target> (140)
COX

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (140)
74711-43-6

$$$$
aspirin.cdx
csChFnd80/10101813212D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
1497

>  <Formula> (141)
C9H8O4

>  <MolWeight> (141)
180.15742

>  <Item Name> (141)
Aspirin (Acetylsalicylic acid)

>  <Catalog Number> (141)
S3017

>  <Synonyms> (141)
N/A

>  <Target> (141)
COX

>  <Form> (141)
Free Base

>  <URL> (141)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (141)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (142)
1498

>  <Formula> (142)
C13H9F3N2O2

>  <MolWeight> (142)
282.2179696

>  <Item Name> (142)
Niflumic acid

>  <Catalog Number> (142)
S3018

>  <Synonyms> (142)
N/A

>  <Target> (142)
GABA Receptor

>  <Form> (142)
Free Base

>  <URL> (142)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (142)
4394-00-7

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/10101813212D

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>  <Mol_ID> (143)
1504

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C18H14N4O5S

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398.39256

>  <Item Name> (143)
Sulfasalazine (Azulfidine)

>  <Catalog Number> (143)
S1576

>  <Synonyms> (143)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (143)
COX,NF-¦ÊB

>  <Form> (143)
Free Base

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

>  <CAS Number> (143)
599-79-1

$$$$
Ampiroxicam.cdx
csChFnd80/10101813212D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    0.0000    5.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3332    7.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (144)
1553

>  <Formula> (144)
C20H21N3O7S

>  <MolWeight> (144)
447.46164

>  <Item Name> (144)
Ampiroxicam

>  <Catalog Number> (144)
S4011

>  <Synonyms> (144)
N/A

>  <Target> (144)
COX

>  <Form> (144)
Free Base

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

>  <CAS Number> (144)
99464-64-9

$$$$
Pemirolast potassium.cdx
csChFnd80/10101813212D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8493    3.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6295    4.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4217    3.5579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6308    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4649    5.8696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1914    2.2957    0.0000 K   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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  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 13  1  0  0  0  0
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M  END
>  <Mol_ID> (145)
1559

>  <Formula> (145)
C10H7KN6O

>  <MolWeight> (145)
266.30048

>  <Item Name> (145)
Pemirolast (BMY 26517) potassium

>  <Catalog Number> (145)
S4008

>  <Synonyms> (145)
TWT-8152

>  <Target> (145)
Histamine Receptor

>  <Form> (145)
Potassium

>  <URL> (145)
http://www.selleckchem.com/products/pemirolast-bmy-26517-potassium.html

>  <CAS Number> (145)
100299-08-9

$$$$
Nabumetone.cdx
csChFnd80/10101813212D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2000    4.8497    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
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  8  9  1  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (146)
1583

>  <Formula> (146)
C15H16O2

>  <MolWeight> (146)
228.28634

>  <Item Name> (146)
Nabumetone

>  <Catalog Number> (146)
S4051

>  <Synonyms> (146)
Arthaxan, Relafen

>  <Target> (146)
COX

>  <Form> (146)
Free Base

>  <URL> (146)
http://www.selleckchem.com/products/nabumetone.html

>  <CAS Number> (146)
42924-53-8

$$$$
olsalazine sodium.cdx
csChFnd80/10101813212D

 24 23  0  0  0  0  0  0  0  0999 V2000
    2.0951    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6879    2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 14  9  1  0  0  0  0
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 19 21  2  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (147)
1603

>  <Formula> (147)
C14H8N2Na2O6

>  <MolWeight> (147)
346.20266

>  <Item Name> (147)
Olsalazine Sodium

>  <Catalog Number> (147)
S4041

>  <Synonyms> (147)
N/A

>  <Target> (147)
Antifection

>  <Form> (147)
Disodium Salt

>  <URL> (147)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (147)
6054-98-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/10101813212D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.9656    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656    3.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    2.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    2.2152    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5579    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1463    2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  8  2  0  0  0  0
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 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (148)
1604

>  <Formula> (148)
C13H17ClN2

>  <MolWeight> (148)
236.74048

>  <Item Name> (148)
Tetrahydrozoline HCl

>  <Catalog Number> (148)
S4043

>  <Synonyms> (148)
N/A

>  <Target> (148)
Adrenergic Receptor

>  <Form> (148)
hydrochloride

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

>  <CAS Number> (148)
522-48-5

$$$$

csChFnd80/10101813212D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    1.6169    9.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369    8.9205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4181    5.7555    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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
 10 22  1  0  0  0  0
M  END
>  <Mol_ID> (149)
1623

>  <Formula> (149)
C16H14N2O3S

>  <MolWeight> (149)
314.35896

>  <Item Name> (149)
Valdecoxib

>  <Catalog Number> (149)
S4049

>  <Synonyms> (149)
SC-65872, YM-974

>  <Target> (149)
COX

>  <Form> (149)
Free Base

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

>  <CAS Number> (149)
181695-72-7

$$$$
Mefenamic acid.cdx
csChFnd80/10101813212D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  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
    1.2124    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   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    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
    7.2746    2.1000    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
    6.0622    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
    8.4870    2.8000    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (150)
1631

>  <Formula> (150)
C15H15NO2

>  <MolWeight> (150)
241.2851

>  <Item Name> (150)
Mefenamic Acid

>  <Catalog Number> (150)
S4078

>  <Synonyms> (150)
N/A

>  <Target> (150)
COX

>  <Form> (150)
Free Base

>  <URL> (150)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (150)
61-68-7

$$$$
Sodium nitrite.cdx
csChFnd80/10101813212D

  4  2  0  0  0  0  0  0  0  0999 V2000
    2.2103    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5979    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
>  <Mol_ID> (151)
1634

>  <Formula> (151)
NNaO2

>  <MolWeight> (151)
68.99527

>  <Item Name> (151)
Sodium Nitrite

>  <Catalog Number> (151)
S4074

>  <Synonyms> (151)
N/A

>  <Target> (151)
Others

>  <Form> (151)
Sodium Salt

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

>  <CAS Number> (151)
7632-00-0

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/10101813212D

 28 28  0  0  0  0  0  0  0  0999 V2000
    8.9060    4.2083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1182    4.9082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9060    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3211    4.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1114    6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6940    6.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4735    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1181    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    2.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5217    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3349    7.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4862    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2588    4.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1123    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792    0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5412    6.3023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2591    6.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9044    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7534    7.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0469    7.0015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9688    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1795    6.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3925    6.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6044    6.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8168    6.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7545   21.3583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   21.3583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
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 20 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (152)
1648

>  <Formula> (152)
C21H29Cl3N2O2

>  <MolWeight> (152)
447.82616

>  <Item Name> (152)
Hydroxyzine 2HCl

>  <Catalog Number> (152)
S4026

>  <Synonyms> (152)
N/A

>  <Target> (152)
Histamine Receptor

>  <Form> (152)
dihydrochloride

>  <URL> (152)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (152)
2192-20-3

$$$$
Levodropropizine.cdx
csChFnd80/10101813212D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4744    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 15  1  1  0  0  0
M  END
>  <Mol_ID> (153)
1654

>  <Formula> (153)
C13H20N2O2

>  <MolWeight> (153)
236.3101

>  <Item Name> (153)
Levodropropizine

>  <Catalog Number> (153)
S4131

>  <Synonyms> (153)
N/A

>  <Target> (153)
Histamine Receptor

>  <Form> (153)
Free Base

>  <URL> (153)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (153)
99291-25-5

$$$$
Cyclizine 2HCl.cdx
csChFnd80/10101813212D

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    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
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5762    4.8781    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6492    3.4927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 10 16  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 10  1  0  0  0  0
M  END
>  <Mol_ID> (154)
1697

>  <Formula> (154)
C18H24Cl2N2

>  <MolWeight> (154)
339.30256

>  <Item Name> (154)
Cyclizine 2HCl

>  <Catalog Number> (154)
S4139

>  <Synonyms> (154)
N/A

>  <Target> (154)
Histamine Receptor

>  <Form> (154)
Hydrochloride

>  <URL> (154)
http://www.selleckchem.com/products/cyclizine-2hcl.html

>  <CAS Number> (154)
5897-18-7

$$$$
Amfenac Sodium£¨monohydrate£©.cdx
csChFnd80/10101813212D

 21 20  0  0  0  0  0  0  0  0999 V2000
    2.4231    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    1.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4231    3.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8474    2.0987    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
    1.2090    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    4.2009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0776    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 13 16  1  0  0  0  0
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 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (155)
1708

>  <Formula> (155)
C15H14NNaO4

>  <MolWeight> (155)
295.26573

>  <Item Name> (155)
Amfenac Sodium (monohydrate)

>  <Catalog Number> (155)
S4149

>  <Synonyms> (155)
N/A

>  <Target> (155)
COX

>  <Form> (155)
Free Base

>  <URL> (155)
http://www.selleckchem.com/products/amfenac-sodium-monohydrate.html

>  <CAS Number> (155)
61618-27-7

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (156)
1709

>  <Formula> (156)
C19H24ClN3O

>  <MolWeight> (156)
345.86636

>  <Item Name> (156)
Benzydamine Hydrochloride

>  <Catalog Number> (156)
S4165

>  <Synonyms> (156)
N/A

>  <Target> (156)
Immunology & Inflammation related

>  <Form> (156)
Hydrochloride

>  <URL> (156)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (156)
132-69-4

$$$$
RIMADYL (carprofen).cdx
csChFnd80/10101813212D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (157)
1711

>  <Formula> (157)
C15H12ClNO2

>  <MolWeight> (157)
273.71428

>  <Item Name> (157)
Carprofen

>  <Catalog Number> (157)
S4136

>  <Synonyms> (157)
N/A

>  <Target> (157)
COX

>  <Form> (157)
Free Base

>  <URL> (157)
http://www.selleckchem.com/products/carprofen.html

>  <CAS Number> (157)
53716-49-7

$$$$
Chloroquine phosphate.cdx
csChFnd80/10101813212D

 32 31  0  0  0  0  0  0  0  0999 V2000
    3.6275    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8477    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0500    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (158)
1714

>  <Formula> (158)
C18H32ClN3O8P2

>  <MolWeight> (158)
515.862502

>  <Item Name> (158)
Chloroquine Phosphate

>  <Catalog Number> (158)
S4157

>  <Synonyms> (158)
N/A

>  <Target> (158)
Others

>  <Form> (158)
Diphosphate

>  <URL> (158)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (158)
50-63-5

$$$$
Cinchophen.cdx
csChFnd80/10101813212D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.9000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    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> (159)
1721

>  <Formula> (159)
C16H11NO2

>  <MolWeight> (159)
249.26404

>  <Item Name> (159)
Cinchophen

>  <Catalog Number> (159)
S4190

>  <Synonyms> (159)
N/A

>  <Target> (159)
Others

>  <Form> (159)
Free Base

>  <URL> (159)
http://www.selleckchem.com/products/cinchophen.html

>  <CAS Number> (159)
132-60-5

$$$$
Coumarin.cdx
csChFnd80/10101813212D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (160)
1727

>  <Formula> (160)
C9H6O2

>  <MolWeight> (160)
146.14274

>  <Item Name> (160)
Coumarin

>  <Catalog Number> (160)
S4170

>  <Synonyms> (160)
N/A

>  <Target> (160)
PARP

>  <Form> (160)
Free Base

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

>  <CAS Number> (160)
91-64-5

$$$$
Ethamsylate.cdx
csChFnd80/10101813212D

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  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (161)
1734

>  <Formula> (161)
C10H17NO5S

>  <MolWeight> (161)
263.31068

>  <Item Name> (161)
Ethamsylate

>  <Catalog Number> (161)
S4152

>  <Synonyms> (161)
N/A

>  <Target> (161)
Immunology & Inflammation related

>  <Form> (161)
Diethylamine

>  <URL> (161)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (161)
2624-44-4

$$$$
Sasapyrine.cdx
csChFnd80/10101813212D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
    7.2746    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
    4.8497    4.2000    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
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 12 17  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (162)
1743

>  <Formula> (162)
C14H10O5

>  <MolWeight> (162)
258.2262

>  <Item Name> (162)
Sasapyrine

>  <Catalog Number> (162)
S4188

>  <Synonyms> (162)
N/A

>  <Target> (162)
COX

>  <Form> (162)
Free Base

>  <URL> (162)
http://www.selleckchem.com/products/sasapyrine.html

>  <CAS Number> (162)
552-94-3

$$$$
Trometamol.cdx
csChFnd80/10101813212D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  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
M  END
>  <Mol_ID> (163)
1750

>  <Formula> (163)
C4H11NO3

>  <MolWeight> (163)
121.13504

>  <Item Name> (163)
Trometamol

>  <Catalog Number> (163)
S4176

>  <Synonyms> (163)
N/A

>  <Target> (163)
COX

>  <Form> (163)
Free Base

>  <URL> (163)
http://www.selleckchem.com/products/trometamol.html

>  <CAS Number> (163)
77-86-1

$$$$
Doxylamine succinate.cdx
csChFnd80/10101813212D

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.8384   10.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409    9.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458    9.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482   10.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457   11.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409   11.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    8.1073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4333    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    8.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    6.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457    6.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    8.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    8.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    8.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    8.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6429    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2138    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8553    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2802    1.4024    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
  3  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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 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
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (164)
1776

>  <Formula> (164)
C21H28N2O5

>  <MolWeight> (164)
388.45742

>  <Item Name> (164)
Doxylamine Succinate

>  <Catalog Number> (164)
S4240

>  <Synonyms> (164)
N/A

>  <Target> (164)
Histamine Receptor

>  <Form> (164)
Succinate

>  <URL> (164)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (164)
562-10-7

$$$$
teriflunomide.cdx
csChFnd80/10101813212D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    4.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0079    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4079    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <Mol_ID> (165)
1790

>  <Formula> (165)
C12H9F3N2O2

>  <MolWeight> (165)
270.2072696

>  <Item Name> (165)
Teriflunomide

>  <Catalog Number> (165)
S4169

>  <Synonyms> (165)
N/A

>  <Target> (165)
Dehydrogenase,Immunology & Inflammation

>  <Form> (165)
Free Base

>  <URL> (165)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (165)
108605-62-5

$$$$
Difluprednate.cdx
csChFnd80/10101813212D

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4375    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    3.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8623    4.1999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2871    4.1999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2871    5.5999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0705    6.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8623    5.5999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6186    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4415    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6186    6.0325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6085    7.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9561    6.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9461    7.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2802    8.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6548    5.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6274    9.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8623    2.7999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871    2.7999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    4.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 12 31  1  1  0  0  0
 14 32  1  1  0  0  0
  4 33  1  1  0  0  0
 10 34  1  6  0  0  0
 11 35  1  6  0  0  0
  7 36  1  6  0  0  0
  1 37  2  0  0  0  0
 17 18  1  1  0  0  0
 17 25  1  6  0  0  0
  9 38  1  1  0  0  0
M  END
>  <Mol_ID> (166)
1800

>  <Formula> (166)
C27H34F2O7

>  <MolWeight> (166)
508.5514664

>  <Item Name> (166)
Difluprednate

>  <Catalog Number> (166)
S4095

>  <Synonyms> (166)
N/A

>  <Target> (166)
Others

>  <Form> (166)
Free Base

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

>  <CAS Number> (166)
23674-86-4

$$$$
flumethasone.cdx
csChFnd80/10101813212D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (167)
1807

>  <Formula> (167)
C22H28F2O5

>  <MolWeight> (167)
410.4515264

>  <Item Name> (167)
Flumethasone

>  <Catalog Number> (167)
S4088

>  <Synonyms> (167)
N/A

>  <Target> (167)
Glucocorticoid Receptor

>  <Form> (167)
Free Base

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

>  <CAS Number> (167)
2135-17-3

$$$$
Halcinonide.cdx
csChFnd80/10101813212D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2047    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (168)
1809

>  <Formula> (168)
C24H32ClFO5

>  <MolWeight> (168)
454.9592832

>  <Item Name> (168)
Halcinonide

>  <Catalog Number> (168)
S4098

>  <Synonyms> (168)
N/A

>  <Target> (168)
Immunology & Inflammation related

>  <Form> (168)
Free Base

>  <URL> (168)
http://www.selleckchem.com/products/halcinonide.html

>  <CAS Number> (168)
3093-35-4

$$$$
halobetasol propionate .cdx
csChFnd80/10101813212D

 35 38  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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M  END
>  <Mol_ID> (169)
1810

>  <Formula> (169)
C25H31ClF2O5

>  <MolWeight> (169)
484.9604464

>  <Item Name> (169)
Halobetasol Propionate

>  <Catalog Number> (169)
S4089

>  <Synonyms> (169)
N/A

>  <Target> (169)
Phospholipase (e.g. PLA)

>  <Form> (169)
Free Base

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

>  <CAS Number> (169)
66852-54-8

$$$$
Fluorometholone Acetate.cdx
csChFnd80/10101813212D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (170)
1850

>  <Formula> (170)
C24H31FO5

>  <MolWeight> (170)
418.4983432

>  <Item Name> (170)
Fluorometholone Acetate

>  <Catalog Number> (170)
S4228

>  <Synonyms> (170)
N/A

>  <Target> (170)
Glucocorticoid Receptor

>  <Form> (170)
Free Base

>  <URL> (170)
http://www.selleckchem.com/products/fluorometholone-acetate.html

>  <CAS Number> (170)
3801-06-7

$$$$
Oxaprozin.cdx
csChFnd80/10101813212D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1722    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  7  1  0  0  0  0
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M  END
>  <Mol_ID> (171)
1859

>  <Formula> (171)
C18H15NO3

>  <MolWeight> (171)
293.3166

>  <Item Name> (171)
Oxaprozin

>  <Catalog Number> (171)
S4230

>  <Synonyms> (171)
N/A

>  <Target> (171)
COX

>  <Form> (171)
Free Base

>  <URL> (171)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (171)
21256-18-8

$$$$
pheniramine maleate .cdx
csChFnd80/10101813212D

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9457    2.4451    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
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  5  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  8 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
 19 20  1  0  0  0  0
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 20 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (172)
1861

>  <Formula> (172)
C20H24N2O4

>  <MolWeight> (172)
356.41556

>  <Item Name> (172)
Pheniramine Maleate

>  <Catalog Number> (172)
S4045

>  <Synonyms> (172)
N/A

>  <Target> (172)
Histamine Receptor

>  <Form> (172)
Maleate

>  <URL> (172)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (172)
132-20-7

$$$$
Bromfenac sodium.cdx
csChFnd80/10101813212D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.0685    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.8500    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    4.8498    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9502    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9502    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1502    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5500    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2502    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    2.4250    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
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  6  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 11  1  0  0  0  0
  6 11  2  0  0  0  0
  3  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 13 18  2  0  0  0  0
 12 19  2  0  0  0  0
 16 20  1  0  0  0  0
  8 12  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (173)
1871

>  <Formula> (173)
C15H11BrNNaO3

>  <MolWeight> (173)
356.14651

>  <Item Name> (173)
Bromfenac Sodium

>  <Catalog Number> (173)
S4248

>  <Synonyms> (173)
N/A

>  <Target> (173)
COX

>  <Form> (173)
Sodium Salt

>  <URL> (173)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (173)
91714-93-1

$$$$
Epinastine HCl.cdx
csChFnd80/10101813212D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.5193    3.9909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    3.6741    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4917    2.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5193    0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    3.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992    5.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6813    5.9355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  8 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (174)
1877

>  <Formula> (174)
C16H16ClN3

>  <MolWeight> (174)
285.77134

>  <Item Name> (174)
Epinastine HCl

>  <Catalog Number> (174)
S4253

>  <Synonyms> (174)
N/A

>  <Target> (174)
Histamine Receptor

>  <Form> (174)
Hydrochloride

>  <URL> (174)
http://www.selleckchem.com/products/epinastine-hcl.html

>  <CAS Number> (174)
108929-04-0

$$$$
Latrepirdine.cdx
csChFnd80/10101813212D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.0379    7.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1705    8.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7379    9.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3378    9.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4013   10.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9052    8.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6748   10.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5400    8.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4768    9.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0441   10.5870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0379    6.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
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  1 14  1  0  0  0  0
  6 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (175)
1885

>  <Formula> (175)
C21H27Cl2N3

>  <MolWeight> (175)
392.36518

>  <Item Name> (175)
Latrepirdine 2HCl

>  <Catalog Number> (175)
S1245

>  <Synonyms> (175)
Dimebolin

>  <Target> (175)
GluR

>  <Form> (175)
Dihydrochloride

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

>  <CAS Number> (175)
97657-92-6

$$$$
CO-1686(AVL-301).cdx
csChFnd80/10101813212D

 40 43  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 27 22  1  0  0  0  0
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 28 30  2  0  0  0  0
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 32 33  2  0  0  0  0
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M  END
>  <Mol_ID> (176)
1935

>  <Formula> (176)
C27H28F3N7O3

>  <MolWeight> (176)
555.5515296

>  <Item Name> (176)
Rociletinib (CO-1686, AVL-301)

>  <Catalog Number> (176)
S7284

>  <Synonyms> (176)
CNX-419, AVL-301

>  <Target> (176)
EGFR

>  <Form> (176)
Free Base

>  <URL> (176)
http://www.selleckchem.com/products/co-1686.html

>  <CAS Number> (176)
1374640-70-6

$$$$
(S)-(+)-FLURBIPROFEN.cdx
csChFnd80/10101813212D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2903    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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 13  8  1  0  0  0  0
  5 14  1  0  0  0  0
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 14 18  1  6  0  0  0
M  END
>  <Mol_ID> (177)
2051

>  <Formula> (177)
C15H13FO2

>  <MolWeight> (177)
244.2609232

>  <Item Name> (177)
Flurbiprofen

>  <Catalog Number> (177)
S1679

>  <Synonyms> (177)
Urbifen, Ansaid, Flurwood, Froben

>  <Target> (177)
COX

>  <Form> (177)
Free Base

>  <URL> (177)
http://www.selleckchem.com/products/Flurbiprofen(Ansaid).html

>  <CAS Number> (177)
51543-39-6

$$$$
Chlorpheniramine Maleate.cdx
csChFnd80/10101813212D

 27 27  0  0  0  0  0  0  0  0999 V2000
    1.2165    0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4330    2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    0.9796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    3.0843    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.8579    5.1842    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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  5  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 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
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (178)
2052

>  <Formula> (178)
C20H23ClN2O4

>  <MolWeight> (178)
390.86062

>  <Item Name> (178)
Chlorpheniramine Maleate

>  <Catalog Number> (178)
S1816

>  <Synonyms> (178)
Piriton

>  <Target> (178)
Histamine Receptor

>  <Form> (178)
Maleate

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

>  <CAS Number> (178)
113-92-8

$$$$
Diacerein.cdx
csChFnd80/10101813212D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0538    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10  2  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
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  7 19  2  0  0  0  0
 10 20  2  0  0  0  0
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M  END
>  <Mol_ID> (179)
2068

>  <Formula> (179)
C19H12O8

>  <MolWeight> (179)
368.29378

>  <Item Name> (179)
Diacerein

>  <Catalog Number> (179)
S4267 

>  <Synonyms> (179)
N/A

>  <Target> (179)
IL Receptor

>  <Form> (179)
Free Base

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

>  <CAS Number> (179)
13739-02-1

$$$$
Ebastine.cdx
csChFnd80/10101813212D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (180)
2071

>  <Formula> (180)
C32H39NO2

>  <MolWeight> (180)
469.65756

>  <Item Name> (180)
Ebastine

>  <Catalog Number> (180)
S4262 

>  <Synonyms> (180)
N/A

>  <Target> (180)
Others

>  <Form> (180)
Free Base

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

>  <CAS Number> (180)
90729-43-4

$$$$
Flufenamic acid.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (181)
2074

>  <Formula> (181)
C14H10F3NO2

>  <MolWeight> (181)
281.2299096

>  <Item Name> (181)
Flufenamic acid

>  <Catalog Number> (181)
S4268 

>  <Synonyms> (181)
N/A

>  <Target> (181)
COX

>  <Form> (181)
Free Base

>  <URL> (181)
http://www.selleckchem.com/products/flufenamic-acid.html

>  <CAS Number> (181)
530-78-9

$$$$
VGX-1027.cdx
csChFnd80/10101813212D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (182)
2166

>  <Formula> (182)
C11H11NO3

>  <MolWeight> (182)
205.20994

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VGX-1027

>  <Catalog Number> (182)
S7515

>  <Synonyms> (182)
GIT 27

>  <Target> (182)
Immunology & Inflammation related

>  <Form> (182)
Free Base

>  <URL> (182)
http://www.selleckchem.com/products/vgx-1027.html

>  <CAS Number> (182)
6501-72-0

$$$$
Y-320.cdx
csChFnd80/10101813212D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (183)
2167

>  <Formula> (183)
C27H29ClN6O2

>  <MolWeight> (183)
505.01116

>  <Item Name> (183)
Y-320

>  <Catalog Number> (183)
S7516

>  <Synonyms> (183)
N/A

>  <Target> (183)
Immunology & Inflammation related

>  <Form> (183)
Free base

>  <URL> (183)
http://www.selleckchem.com/products/y-320.html

>  <CAS Number> (183)
288250-47-5

$$$$
MALT1 inhibitor.cdx
csChFnd80/10101813212D

 29 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (184)
2242

>  <Formula> (184)
C19H17Cl3N4O3

>  <MolWeight> (184)
455.72228

>  <Item Name> (184)
MI-2 (MALT1 inhibitor)

>  <Catalog Number> (184)
S7429

>  <Synonyms> (184)
N/A

>  <Target> (184)
MALT

>  <Form> (184)
Free Base

>  <URL> (184)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

>  <CAS Number> (184)
1047953-91-2

$$$$
TAPI-1.cdx
csChFnd80/10101813212D

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    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
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 N   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
    7.2746    3.5000    0.0000 N   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
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    5.6000    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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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
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  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  2  0  0  0  0
 15 24  1  6  0  0  0
 16 25  2  0  0  0  0
 19 26  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 22 32  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  2  0  0  0  0
M  END
>  <Mol_ID> (185)
2244

>  <Formula> (185)
C26H37N5O5

>  <MolWeight> (185)
499.60248

>  <Item Name> (185)
TAPI-1

>  <Catalog Number> (185)
S7434

>  <Synonyms> (185)
N/A

>  <Target> (185)
Others

>  <Form> (185)
Free Base

>  <URL> (185)
http://www.selleckchem.com/products/tapi-1.html

>  <CAS Number> (185)
171235-71-5

$$$$
Promethazine hydrochloride.cdx
csChFnd80/10101813212D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  3  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 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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737    4.1020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 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
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (186)
2277

>  <Formula> (186)
C17H21ClN2S

>  <MolWeight> (186)
320.88004

>  <Item Name> (186)
Promethazine HCl

>  <Catalog Number> (186)
S4293

>  <Synonyms> (186)
N/A

>  <Target> (186)
Histamine Receptor

>  <Form> (186)
Hydrochloride

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

>  <CAS Number> (186)
58-33-3

$$$$
Meclofenamate sodium.cdx
csChFnd80/10101813212D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (187)
2298

>  <Formula> (187)
C14H10Cl2NNaO2

>  <MolWeight> (187)
318.13047

>  <Item Name> (187)
Meclofenamate sodium

>  <Catalog Number> (187)
S4295

>  <Synonyms> (187)
N/A

>  <Target> (187)
COX

>  <Form> (187)
Sodium Salt

>  <URL> (187)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (187)
6385-02-0

$$$$
Bepotastine besilate.cdx
csChFnd80/10101813212D

 37 39  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.0804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.6804    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1244    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   11.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1666    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1666    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9584    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
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  3  4  1  0  0  0  0
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  9 10  1  0  0  0  0
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  7 12  1  0  0  0  0
  1 10  1  0  0  0  0
 14 13  1  1  0  0  0
 15 16  1  0  0  0  0
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 15 20  2  0  0  0  0
 14 15  1  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
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 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
 14 21  1  0  0  0  0
  4 13  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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 33 28  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  2  0  0  0  0
M  END
>  <Mol_ID> (188)
2303

>  <Formula> (188)
C27H31ClN2O6S

>  <MolWeight> (188)
547.06284

>  <Item Name> (188)
Bepotastine Besilate

>  <Catalog Number> (188)
S3037

>  <Synonyms> (188)
N/A

>  <Target> (188)
Histamine Receptor

>  <Form> (188)
Besilate salt

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

>  <CAS Number> (188)
190786-44-8

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/10101813212D

 58 61  0  0  0  0  0  0  0  0999 V2000
    2.4165   14.3134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4165   12.9134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289   12.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.9134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413   14.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   15.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   15.0109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496   12.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   10.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   10.1182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413   10.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825   10.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907   10.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989   10.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8782    6.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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mTOR

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104987-11-3

$$$$
filgotinib.cdx
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JAK

>  <Form> (190)
Free Base

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

>  <CAS Number> (190)
1206161-97-8

$$$$
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JAK

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>  <URL> (191)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

>  <CAS Number> (191)
1369761-01-2

$$$$
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CXCR

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>  <URL> (192)
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>  <CAS Number> (192)
182498-32-4

$$$$
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COX

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Free Base

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http://www.selleckchem.com/products/Ketorolac-Tromethamine(Toradol).html

>  <CAS Number> (193)
74103-07-4

$$$$
Piperlongumine.cdx
csChFnd80/10101813212D

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Piperlongumine

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S7551

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PPLGM

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ROS,CRM

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Free Base

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

>  <CAS Number> (194)
20069-09-4

$$$$
BAF312 (Siponimod).cdx
csChFnd80/10101813212D

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2430

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C29H35F3N2O3

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N/A

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S1P Receptor

>  <Form> (195)
Free Base

>  <URL> (195)
http://www.selleckchem.com/products/baf312-siponimod.html

>  <CAS Number> (195)
1230487-00-9

$$$$
GKT137831.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (196)
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NADPH oxidase

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http://www.selleckchem.com/products/gkt137831.html

>  <CAS Number> (196)
1218942-37-0

$$$$
Indoximod.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (197)
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1-Methyl-D-tryptophan

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IDO

>  <Form> (197)
Free Base

>  <URL> (197)
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>  <CAS Number> (197)
110117-83-4

$$$$
Marimastat (BB-25.cdx
csChFnd80/10101813212D

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MMP

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154039-60-8

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>  <Target> (199)
COX

>  <Form> (199)
Free Base

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

>  <CAS Number> (199)
6754-58-1

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Histamine Phosphate

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Histamine Receptor

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Free Base

>  <URL> (200)
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51-74-1

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Fenoprofen calcium hydrate

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>  <Target> (201)
Immunology & Inflammation related

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Calcium dihydrate salt

>  <URL> (201)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (201)
71720-56-4

$$$$
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Nrf2

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>  <URL> (202)
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64224-21-1

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M  END
>  <Mol_ID> (203)
2572

>  <Formula> (203)
C25H32O13

>  <MolWeight> (203)
540.51378

>  <Item Name> (203)
Oleuropein

>  <Catalog Number> (203)
S7867

>  <Synonyms> (203)
N/A

>  <Target> (203)
ROS

>  <Form> (203)
Free Base

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

>  <CAS Number> (203)
32619-42-4

$$$$
Vidofludimus .cdx
csChFnd80/10101813212D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.7544    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (204)
2575

>  <Formula> (204)
C20H18FNO4

>  <MolWeight> (204)
355.3596232

>  <Item Name> (204)
Vidofludimus

>  <Catalog Number> (204)
S7262

>  <Synonyms> (204)
SC12267, 4SC-101

>  <Target> (204)
Dehydrogenase

>  <Form> (204)
Free Base

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

>  <CAS Number> (204)
717824-30-1

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/10101813212D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.6953    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (205)
2577

>  <Formula> (205)
C25H29N3O3

>  <MolWeight> (205)
419.51606

>  <Item Name> (205)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Catalog Number> (205)
S7912

>  <Synonyms> (205)
N/A

>  <Target> (205)
PD-1/PD-L1

>  <Form> (205)
Free Base

>  <URL> (205)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

>  <CAS Number> (205)
1675203-84-5

$$$$
PF 04418948.cdx
csChFnd80/10101813212D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (206)
2584

>  <Formula> (206)
C23H20FNO5

>  <MolWeight> (206)
409.4070032

>  <Item Name> (206)
PF-04418948

>  <Catalog Number> (206)
S7211

>  <Synonyms> (206)
N/A

>  <Target> (206)
Immunology & Inflammation related

>  <Form> (206)
Free Base

>  <URL> (206)
http://www.selleckchem.com/products/pf-04418948.html

>  <CAS Number> (206)
1078166-57-0

$$$$
6-Mercaptopurine monohydrate.cdx
csChFnd80/10101813212D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (207)
2614

>  <Formula> (207)
C5H6N4OS

>  <MolWeight> (207)
170.19234

>  <Item Name> (207)
6-Mercaptopurine (6-MP) Monohydrate

>  <Catalog Number> (207)
S4504

>  <Synonyms> (207)
N/A

>  <Target> (207)
DNA/RNA Synthesis

>  <Form> (207)
Monohydrate

>  <URL> (207)
http://www.selleckchem.com/products/6-mercaptopurine-6-mp-monohydrate.html

>  <CAS Number> (207)
6112-76-1

$$$$
VTX-2337.cdx
csChFnd80/10101813212D

 34 37  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
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  8 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
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  5 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
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 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (208)
2628

>  <Formula> (208)
C28H34N4O2

>  <MolWeight> (208)
458.59516

>  <Item Name> (208)
Motolimod (VTX-2337)

>  <Catalog Number> (208)
S7161

>  <Synonyms> (208)
N/A

>  <Target> (208)
TLR

>  <Form> (208)
Free Base

>  <URL> (208)
http://www.selleckchem.com/products/motolimod-vtx-2337.html

>  <CAS Number> (208)
926927-61-9

$$$$
Resiquimod.cdx
csChFnd80/10101813212D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
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  9 11  1  0  0  0  0
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 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (209)
2644

>  <Formula> (209)
C17H22N4O2

>  <MolWeight> (209)
314.38218

>  <Item Name> (209)
Resiquimod

>  <Catalog Number> (209)
S8133

>  <Synonyms> (209)
R-848

>  <Target> (209)
TLR

>  <Form> (209)
Free Base

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

>  <CAS Number> (209)
144875-48-9

$$$$
Ozanimod.cdx
csChFnd80/10101813212D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (210)
2656

>  <Formula> (210)
C23H24N4O3

>  <MolWeight> (210)
404.46166

>  <Item Name> (210)
Ozanimod (RPC1063)

>  <Catalog Number> (210)
S7952

>  <Synonyms> (210)
N/A

>  <Target> (210)
S1P Receptor

>  <Form> (210)
Free Base

>  <URL> (210)
http://www.selleckchem.com/products/ozanimod-rpc1063.html

>  <CAS Number> (210)
1306760-87-1

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/10101813212D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (211)
2681

>  <Formula> (211)
C29H33NO5

>  <MolWeight> (211)
475.57602

>  <Item Name> (211)
PD-1/PD-L1 inhibitor 1

>  <Catalog Number> (211)
S7911

>  <Synonyms> (211)
N/A

>  <Target> (211)
PD-1/PD-L1

>  <Form> (211)
Free Base

>  <URL> (211)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

>  <CAS Number> (211)
1675201-83-8

$$$$
MCC950.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (212)
2685

>  <Formula> (212)
C20H23N2NaO5S

>  <MolWeight> (212)
426.46179

>  <Item Name> (212)
MCC950(CP-456773)

>  <Catalog Number> (212)
S7809

>  <Synonyms> (212)
CP-456773

>  <Target> (212)
Others

>  <Form> (212)
Free Base

>  <URL> (212)
http://www.selleckchem.com/products/mcc950-sodium-salt.html

>  <CAS Number> (212)
256373-96-3

$$$$
Oclacitinib maleate.cdx
csChFnd80/10101813212D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (213)
2695

>  <Formula> (213)
C19H27N5O6S

>  <MolWeight> (213)
453.51258

>  <Item Name> (213)
Oclacitinib maleate

>  <Catalog Number> (213)
S8195

>  <Synonyms> (213)
PF-03394197

>  <Target> (213)
JAK

>  <Form> (213)
Free Base

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

>  <CAS Number> (213)
1640292-55-2

$$$$
Halofuginone.cdx
csChFnd80/10101813212D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (214)
2705

>  <Formula> (214)
C16H17BrClN3O3

>  <MolWeight> (214)
414.68148

>  <Item Name> (214)
Halofuginone

>  <Catalog Number> (214)
S8144

>  <Synonyms> (214)
N/A

>  <Target> (214)
Others

>  <Form> (214)
Free Base

>  <URL> (214)
http://www.selleckchem.com/products/halofuginone.html

>  <CAS Number> (214)
55837-20-2

$$$$
Ponesimod (ACT-128800).cdx
csChFnd80/10101813212D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (215)
2719

>  <Formula> (215)
C23H25ClN2O4S

>  <MolWeight> (215)
460.9736

>  <Item Name> (215)
Ponesimod (ACT-128800)

>  <Catalog Number> (215)
S8241

>  <Synonyms> (215)
ACT-128800

>  <Target> (215)
S1P Receptor

>  <Form> (215)
Free Base

>  <URL> (215)
http://www.selleckchem.com/products/ponesimod-act-128800.html

>  <CAS Number> (215)
854107-55-4

$$$$
6-Benzylaminopurine.cdx
csChFnd80/10101813212D

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    4.8497    4.2000    0.0000 N   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    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14  9  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (216)
2735

>  <Formula> (216)
C12H11N5

>  <MolWeight> (216)
225.24924

>  <Item Name> (216)
6-Benzylaminopurine

>  <Catalog Number> (216)
S4511

>  <Synonyms> (216)
N/A

>  <Target> (216)
Others

>  <Form> (216)
Free Base

>  <URL> (216)
http://www.selleckchem.com/products/6-benzylaminopurine.html

>  <CAS Number> (216)
1214-39-7

$$$$
Fenbufen.cdx
csChFnd80/10101813212D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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
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 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (217)
2738

>  <Formula> (217)
C16H14O3

>  <MolWeight> (217)
254.28056

>  <Item Name> (217)
Fenbufen

>  <Catalog Number> (217)
S4526

>  <Synonyms> (217)
Lederfen, CL-82204

>  <Target> (217)
COX

>  <Form> (217)
Free Base

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

>  <CAS Number> (217)
36330-85-5

$$$$
C-DIM12.cdx
csChFnd80/10101813212D

 26 30  0  0  0  0  0  0  0  0999 V2000
    4.0178    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    7.9834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8714    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0278    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4604    2.8350    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
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
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 19 20  2  0  0  0  0
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 22 12  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 18  1  0  0  0  0
M  END
>  <Mol_ID> (218)
2739

>  <Formula> (218)
C23H17ClN2

>  <MolWeight> (218)
356.84748

>  <Item Name> (218)
C-DIM12

>  <Catalog Number> (218)
S8097

>  <Synonyms> (218)
N/A

>  <Target> (218)
Immunology & Inflammation

>  <Form> (218)
Free Base

>  <URL> (218)
http://www.selleckchem.com/products/c-dim12.html

>  <CAS Number> (218)
178946-89-9

$$$$
Bucetin.cdx
csChFnd80/10101813212D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   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    0.7000    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
    3.6373    2.1000    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
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (219)
2763

>  <Formula> (219)
C12H17NO3

>  <MolWeight> (219)
223.26828

>  <Item Name> (219)
Bucetin

>  <Catalog Number> (219)
S4554

>  <Synonyms> (219)
N/A

>  <Target> (219)
Others

>  <Form> (219)
Free Base

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

>  <CAS Number> (219)
1083-57-4

$$$$
Salicylic acid.cdx
csChFnd80/10101813212D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
M  END
>  <Mol_ID> (220)
2774

>  <Formula> (220)
C7H6O3

>  <MolWeight> (220)
138.12074

>  <Item Name> (220)
Salicylic acid

>  <Catalog Number> (220)
S4539

>  <Synonyms> (220)
2-Hydroxybenzoic acid

>  <Target> (220)
COX

>  <Form> (220)
Free Base

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

>  <CAS Number> (220)
69-72-7

$$$$
Idramantone.cdx
csChFnd80/10101813212D

 12 14  0  0  0  0  0  0  0  0999 V2000
    1.3305    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368    0.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3305    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    2.1348    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0601    4.1540    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8689    2.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    3.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0737    1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8689    3.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4935    4.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  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
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (221)
2783

>  <Formula> (221)
C10H14O2

>  <MolWeight> (221)
166.21696

>  <Item Name> (221)
Idramantone

>  <Catalog Number> (221)
S4529

>  <Synonyms> (221)
Kemantane, 5-Hydroxy-2-adamantanone

>  <Target> (221)
Immunology & Inflammation related

>  <Form> (221)
Free Base

>  <URL> (221)
http://www.selleckchem.com/products/idramantone.html

>  <CAS Number> (221)
20098-14-0

$$$$
Carsalam.cdx
csChFnd80/10101813212D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4043    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    0.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    2.1325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    4.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (222)
2792

>  <Formula> (222)
C8H5NO3

>  <MolWeight> (222)
163.1302

>  <Item Name> (222)
Carsalam

>  <Catalog Number> (222)
S4555

>  <Synonyms> (222)
Carbonylsalicylamide

>  <Target> (222)
Antifection

>  <Form> (222)
Free Base

>  <URL> (222)
http://www.selleckchem.com/products/carsalam.html

>  <CAS Number> (222)
2037-95-8

$$$$
S4580 Hydroquinone.cdx
csChFnd80/10101813212D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2042    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880    5.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (223)
2831

>  <Formula> (223)
C6H6O2

>  <MolWeight> (223)
110.11064

>  <Item Name> (223)
Hydroquinone

>  <Catalog Number> (223)
S4580

>  <Synonyms> (223)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (223)
ROS

>  <Form> (223)
Free Base

>  <URL> (223)
http://www.selleckchem.com/products/hydroquinone.html

>  <CAS Number> (223)
123-31-9

$$$$
S4589 Amodiaquin (dihydrochloride dihydrate).cdx
csChFnd80/10101813212D

 29 27  0  0  0  0  0  0  0  0999 V2000
   12.1800    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3909    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1800    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9625    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3909    4.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6079    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9633    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3902    0.0037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7379    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6046    4.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6079    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7367    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8242    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6046    6.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5238    0.0080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.0427    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8273    6.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2522    4.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0427    6.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2522    2.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2518    6.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4592    2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0433    2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4592    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0433    0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9715    9.6392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5715    9.6392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   23.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.8427    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
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (224)
2838

>  <Formula> (224)
C20H28Cl3N3O3

>  <MolWeight> (224)
464.81362

>  <Item Name> (224)
Amodiaquin (dihydrochloride dihydrate)

>  <Catalog Number> (224)
S4589

>  <Synonyms> (224)
N/A

>  <Target> (224)
Transferase,Histone

>  <Form> (224)
dihydrochloride dihydrate

>  <URL> (224)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

>  <CAS Number> (224)
6398-98-7

$$$$
S4625 Alcaftadine.cdx
csChFnd80/10101813212D

 23 26  0  0  0  0  0  0  0  0999 V2000
    2.3905    6.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1118    7.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    5.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    5.5257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984    7.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9377    6.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    4.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110    8.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    1.3795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2438    7.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898    8.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    3.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997   10.1490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4088    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6535    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5386    7.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    5.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  6  4  1  0  0  0  0
 13  5  1  0  0  0  0
  6  5  2  0  0  0  0
 11  7  2  0  0  0  0
 19  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 12  9  1  0  0  0  0
 10 17  1  0  0  0  0
 20 10  1  0  0  0  0
 10 18  1  0  0  0  0
 21 11  1  0  0  0  0
 12 11  1  0  0  0  0
 16 13  2  0  0  0  0
 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (225)
2841

>  <Formula> (225)
C19H21N3O

>  <MolWeight> (225)
307.38954

>  <Item Name> (225)
Alcaftadine

>  <Catalog Number> (225)
S4625

>  <Synonyms> (225)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (225)
Histamine Receptor

>  <Form> (225)
Free Base

>  <URL> (225)
http://www.selleckchem.com/products/alcaftadine.html

>  <CAS Number> (225)
147084-10-4

$$$$
S4628 (+-)-Sulfinpyrazone.cdx
csChFnd80/10101813212D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.5391    4.9992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8850    3.7785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5812    6.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4993    2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4981    4.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4545    6.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7823    4.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    5.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8305    7.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8936    2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7201    1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5081    3.0467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8486    6.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1776    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    6.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5070    1.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3242    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7155    5.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8616    5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7192    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    6.0635    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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    3.6588    7.4580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439    3.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    6.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176    3.9910    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  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 21  1  0  0  0  0
 20 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
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (226)
2845

>  <Formula> (226)
C23H20N2O3S

>  <MolWeight> (226)
404.4815

>  <Item Name> (226)
(+/-)-Sulfinpyrazone

>  <Catalog Number> (226)
S4628

>  <Synonyms> (226)
G-28315, NSC 75925

>  <Target> (226)
COX

>  <Form> (226)
Free Base

>  <URL> (226)
http://www.selleckchem.com/products/sulfinpyrazone.html

>  <CAS Number> (226)
57-96-5

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/10101813212D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.9188    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393    6.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1883    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    8.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5442    5.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2188    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    8.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    5.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8376    7.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3603    1.0706    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  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
  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
  7 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
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
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 15 20  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (227)
2856

>  <Formula> (227)
C21H22ClNR

>  <MolWeight> (227)
323.85908

>  <Item Name> (227)
Cyproheptadine hydrochloride

>  <Catalog Number> (227)
S4635

>  <Synonyms> (227)
Periactin hydrochloride, Peritol

>  <Target> (227)
5-HT Receptor

>  <Form> (227)
Hydrochloride Sesquihydrate

>  <URL> (227)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

>  <CAS Number> (227)
41354-29-4

$$$$
S4603 Gallic acid.cdx
csChFnd80/10101813212D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
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  6  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (228)
2861

>  <Formula> (228)
C7H6O5

>  <MolWeight> (228)
170.11954

>  <Item Name> (228)
Gallic acid

>  <Catalog Number> (228)
S4603

>  <Synonyms> (228)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (228)
ROS

>  <Form> (228)
Free Base

>  <URL> (228)
http://www.selleckchem.com/products/gallic-acid.html

>  <CAS Number> (228)
149-91-7

$$$$
S4609 Diflunisal.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (229)
2862

>  <Formula> (229)
C13H8F2O3

>  <MolWeight> (229)
250.1976264

>  <Item Name> (229)
Diflunisal

>  <Catalog Number> (229)
S4609

>  <Synonyms> (229)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (229)
COX

>  <Form> (229)
Free Base

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

>  <CAS Number> (229)
22494-42-4

$$$$
S4656 Parecoxib.cdx
csChFnd80/10101813212D

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 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (230)
2868

>  <Formula> (230)
C19H18N2O4S

>  <MolWeight> (230)
370.42222

>  <Item Name> (230)
Parecoxib

>  <Catalog Number> (230)
S4656

>  <Synonyms> (230)
SC-69124, Valus-P, Vorth-P

>  <Target> (230)
COX

>  <Form> (230)
Free Base

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

>  <CAS Number> (230)
198470-84-7

$$$$
S4606 Glutathione.cdx
csChFnd80/10101813212D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (231)
2883

>  <Formula> (231)
C10H17N3O6S

>  <MolWeight> (231)
307.32348

>  <Item Name> (231)
Glutathione

>  <Catalog Number> (231)
S4606

>  <Synonyms> (231)
Isethion, Glutathion, Tathion

>  <Target> (231)
Others

>  <Form> (231)
Free Base

>  <URL> (231)
http://www.selleckchem.com/products/glutathione.html

>  <CAS Number> (231)
70-18-8

$$$$
S4651 Etoricoxib.cdx
csChFnd80/10101813212D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (232)
2910

>  <Formula> (232)
C18H15ClN2O2S

>  <MolWeight> (232)
358.8419

>  <Item Name> (232)
Etoricoxib

>  <Catalog Number> (232)
S4651

>  <Synonyms> (232)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (232)
COX

>  <Form> (232)
Free  Base

>  <URL> (232)
http://www.selleckchem.com/products/etoricoxib.html

>  <CAS Number> (232)
202409-33-4

$$$$
S4646 Ciclesonide.cdx
csChFnd80/10101813212D

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>  <Synonyms> (233)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (233)
Others

>  <Form> (233)
Free Base

>  <URL> (233)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (233)
126544-47-6

$$$$
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csChFnd80/10101813212D

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2916

>  <Formula> (234)
C15H18O3

>  <MolWeight> (234)
246.30162

>  <Item Name> (234)
Loxoprofen

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S4682

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Koloxo, Loxoprofene, Loxoprofeno

>  <Target> (234)
COX

>  <Form> (234)
Free Base

>  <URL> (234)
http://www.selleckchem.com/products/loxoprofen.html

>  <CAS Number> (234)
68767-14-6

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/10101813212D

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2924

>  <Formula> (235)
C20H23ClN2O5

>  <MolWeight> (235)
406.86002

>  <Item Name> (235)
arbinoxaMine Maleate

>  <Catalog Number> (235)
S4696

>  <Synonyms> (235)
N/A

>  <Target> (235)
Histamine Receptor

>  <Form> (235)
maleate

>  <URL> (235)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (235)
3505-38-2

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/10101813212D

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2937

>  <Formula> (236)
C26H27F4N3O7

>  <MolWeight> (236)
569.5020928

>  <Item Name> (236)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (236)
S7775

>  <Synonyms> (236)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (236)
Caspase

>  <Form> (236)
Free Base

>  <URL> (236)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (236)
254750-02-2

$$$$
S4706 Eugenol.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (237)
2949

>  <Formula> (237)
C10H12O2

>  <MolWeight> (237)
164.20108

>  <Item Name> (237)
Eugenol

>  <Catalog Number> (237)
S4706

>  <Synonyms> (237)
4-Allyl-2-methoxyphenol, 4-Allylguaiacol, Eugenic acid, Allylguaiacol

>  <Target> (237)
Others

>  <Form> (237)
Free Base

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

>  <CAS Number> (237)
97-53-0

$$$$
S4686 Escin.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (238)
2960

>  <Formula> (238)
C55H86O24

>  <MolWeight> (238)
1131.25694

>  <Item Name> (238)
Escin

>  <Catalog Number> (238)
S4690

>  <Synonyms> (238)
Aescin

>  <Target> (238)
Immunology & Inflammation related

>  <Form> (238)
Free Base

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

>  <CAS Number> (238)
6805-41-0

$$$$
ATI-2341.cdx
csChFnd80/10101813212D

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N/A

>  <Target> (241)
Others

>  <Form> (241)
Free Base

>  <URL> (241)
http://www.selleckchem.com/products/gs-9620.html

>  <CAS Number> (241)
1228585-88-3

$$$$
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csChFnd80/10101813212D

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C21H30Cl2N2O3

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429.3805

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ZK756326 2HCl

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S8324

>  <Synonyms> (242)
N/A

>  <Target> (242)
CXCR

>  <Form> (242)
Dihydrochloride

>  <URL> (242)
http://www.selleckchem.com/products/zk756326.html

>  <CAS Number> (242)
874911-96-3

$$$$
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csChFnd80/10101813212D

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3024

>  <Formula> (243)
C26H40O5

>  <MolWeight> (243)
432.5928

>  <Item Name> (243)
Latanoprost

>  <Catalog Number> (243)
S4709

>  <Synonyms> (243)
Xalatan, PhXA41, PHXA-41

>  <Target> (243)
GPR

>  <Form> (243)
Free Base

>  <URL> (243)
http://www.selleckchem.com/products/latanoprost.html

>  <CAS Number> (243)
130209-82-4

$$$$
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csChFnd80/10101813212D

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>  <Formula> (244)
C15H14O6

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290.26806

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(-)Epicatechin

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S4723

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>  <Target> (244)
Others

>  <Form> (244)
Free Base

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

>  <CAS Number> (244)
490-46-0

$$$$
AS101.cdx
csChFnd80/10101813212D

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3040

>  <Formula> (245)
C2H8Cl3NO2Te

>  <MolWeight> (245)
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>  <Target> (245)
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>  <URL> (245)
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>  <CAS Number> (245)
106566-58-9

$$$$
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csChFnd80/10101813212D

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3053

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C89H126N24O18S

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>  <Item Name> (246)
PD-1/PD-L1 Inhibitor 3

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S8158

>  <Synonyms> (246)
N/A

>  <Target> (246)
PD-1/PD-L1

>  <Form> (246)
Free Base

>  <URL> (246)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-3.html

>  <CAS Number> (246)
1629654-95-0

$$$$
NS-398 (NS398).cdx
csChFnd80/10101813212D

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3067

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C13H18N2O5S

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NS-398 (NS398)

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S8433

>  <Synonyms> (247)
N-(2-cyclohexyloxy-4-nitrophenyl)methane sulfonamide

>  <Target> (247)
COX

>  <Form> (247)
Free Base

>  <URL> (247)
http://www.selleckchem.com/products/ns-398-ns398.html

>  <CAS Number> (247)
123653-11-2

$$$$
1400W.cdx
csChFnd80/10101813212D

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C10H17Cl2N3

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>  <Item Name> (248)
1400W 2HCl

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N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (248)
Others

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dihydrochloride

>  <URL> (248)
http://www.selleckchem.com/products/1400w.html

>  <CAS Number> (248)
214358-33-5

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/10101813212D

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 10  8  1  0  0  0  0
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M  END
>  <Mol_ID> (249)
3155

>  <Formula> (249)
C15H18O2

>  <MolWeight> (249)
230.30222

>  <Item Name> (249)
Atractylenolide I

>  <Catalog Number> (249)
S8291

>  <Synonyms> (249)
N/A

>  <Target> (249)
Immunology & Inflammation related

>  <Form> (249)
Free Base

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

>  <CAS Number> (249)
73069-13-3
73069-13-3

$$$$
Azatadine dimaleate.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (250)
3184

>  <Formula> (250)
C28H30N2O8

>  <MolWeight> (250)
522.5464

>  <Item Name> (250)
Azatadine dimaleate

>  <Catalog Number> (250)
S3186

>  <Synonyms> (250)
SCH10649

>  <Target> (250)
Histamine Receptor

>  <Form> (250)
Dimaleate

>  <URL> (250)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (250)
3978-86-7

$$$$
Cl-amidine.cdx
csChFnd80/10101813212D

 28 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (251)
3191

>  <Formula> (251)
C16H20ClF3N4O4

>  <MolWeight> (251)
424.8026096

>  <Item Name> (251)
Cl-amidine

>  <Catalog Number> (251)
S8141

>  <Synonyms> (251)
N/A

>  <Target> (251)
Immunology & Inflammation related

>  <Form> (251)
trifluoroacetate

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

>  <CAS Number> (251)
1043444-18-3

$$$$
DAPTA.cdx
csChFnd80/10101813212D

 64 64  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (252)
3196

>  <Formula> (252)
C35H56N10O15

>  <MolWeight> (252)
856.87714

>  <Item Name> (252)
DAPTA

>  <Catalog Number> (252)
S8501

>  <Synonyms> (252)
D-Ala-peptide T-amide, peptide T

>  <Target> (252)
gp120 Bal-CCR5,CM235-CCR5

>  <Form> (252)
free base

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

>  <CAS Number> (252)
106362-34-9

$$$$
S4753  Ganoderic acid A.cdx
csChFnd80/10101813212D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.2939    3.5537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0590    2.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    4.9232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6361    3.0990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8882    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0590    1.4253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6282    5.3390    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1020    5.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4413    4.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    2.8132    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8882    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8650    0.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0592    6.6709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6697    1.4162    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.4486    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0591    1.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7098    5.2966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (253)
3198

>  <Formula> (253)
C30H44O7

>  <MolWeight> (253)
516.66616

>  <Item Name> (253)
Ganoderic acid A

>  <Catalog Number> (253)
S4753

>  <Synonyms> (253)
N/A

>  <Target> (253)
others

>  <Form> (253)
free base

>  <URL> (253)
http://www.selleckchem.com/products/ganoderic-acid-a.html

>  <CAS Number> (253)
81907-62-2

$$$$
Compstatin.cdx
csChFnd80/10101813212D

108112  0  0  0  0  0  0  0  0999 V2000
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   18.4670   13.0757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542    4.5602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7790    5.8702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4941    6.6261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (254)
3201

>  <Formula> (254)
C66H99N23O17S2

>  <MolWeight> (254)
1550.76616

>  <Item Name> (254)
Compstatin

>  <Catalog Number> (254)
S8522

>  <Synonyms> (254)
N/A

>  <Target> (254)
complement component C3

>  <Form> (254)
free base

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

>  <CAS Number> (254)
206645-99-0

$$$$
AUNP-12.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (255)
3215

>  <Formula> (255)
C142H226N40O48

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>  <Item Name> (255)
AUNP-12

>  <Catalog Number> (255)
S8549

>  <Synonyms> (255)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (255)
PD-1

>  <URL> (255)
http://www.selleckchem.com/products/aunp-12.html

>  <CAS Number> (255)
1353563-85-5

$$$$
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csChFnd80/10101813212D

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>  <Mol_ID> (256)
3221

>  <Formula> (256)
C12H13ClO2

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>  <Item Name> (256)
INF39

>  <Catalog Number> (256)
S8559

>  <Synonyms> (256)
N/A

>  <Target> (256)
NLRP3 

>  <Form> (256)
free base

>  <URL> (256)
http://www.selleckchem.com/products/inf39.html

>  <CAS Number> (256)
866028-26-4

$$$$
S 38093.cdx
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M  END
>  <Mol_ID> (257)
3260

>  <Formula> (257)
C17H24N2O2

>  <MolWeight> (257)
288.38466

>  <Item Name> (257)
S 38093

>  <Catalog Number> (257)
S8598

>  <Synonyms> (257)
N/A

>  <Target> (257)
human H3 receptor,mouse H3 receptor,rat H3 r

>  <Form> (257)
free base

>  <URL> (257)
http://www.selleckchem.com/products/S-38093.html

>  <CAS Number> (257)
862896-30-8

$$$$
S3608 Demethylzeylasteral.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (258)
3275

>  <Formula> (258)
C29H36O6

>  <MolWeight> (258)
480.59254

>  <Item Name> (258)
Demethylzeylasteral (T-96)

>  <Catalog Number> (258)
S3608

>  <Synonyms> (258)
N/A

>  <Target> (258)
UGT1A6,UGT2B7

>  <Form> (258)
free base

>  <URL> (258)
http://www.selleckchem.com/products/demethylzeylasteral-t-96.html

>  <CAS Number> (258)
107316-88-1

$$$$
S3616 Asiaticoside.cdx
csChFnd80/10101813212D

 70 77  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (259)
3297

>  <Formula> (259)
C48H78O19

>  <MolWeight> (259)
959.12152

>  <Item Name> (259)
Asiaticoside

>  <Catalog Number> (259)
S3616

>  <Synonyms> (259)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (259)
Others

>  <Form> (259)
free base

>  <URL> (259)
http://www.selleckchem.com/products/asiaticoside.html

>  <CAS Number> (259)
16830-15-2

$$$$
S3631 (S)-Methylisothiourea sulfate.cdx
csChFnd80/10101813212D

  6  4  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
A    6
?0.5H2SO4?
M  END
>  <Mol_ID> (260)
3299

>  <Formula> (260)
C2H6N2RS

>  <MolWeight> (260)
90.14744

>  <Item Name> (260)
(S)-Methylisothiourea sulfate

>  <Catalog Number> (260)
S3631

>  <Synonyms> (260)
N/A

>  <Target> (260)
iNOS

>  <Form> (260)
sulfate

>  <URL> (260)
http://www.selleckchem.com/products/s-methylisothiourea-sulfate.html

>  <CAS Number> (260)
867-44-7

$$$$
S3632 Trichloroisocyanuric acid.cdx
csChFnd80/10101813212D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    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> (261)
3300

>  <Formula> (261)
C3Cl3N3O3

>  <MolWeight> (261)
232.4094

>  <Item Name> (261)
Trichloroisocyanuric acid

>  <Catalog Number> (261)
S3632

>  <Synonyms> (261)
N/A

>  <Target> (261)
Others

>  <Form> (261)
free base

>  <URL> (261)
http://www.selleckchem.com/products/trichloroisocyanuric-acid.html

>  <CAS Number> (261)
87-90-1

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (262)
3302

>  <Formula> (262)
C42H68N2O16

>  <MolWeight> (262)
856.99312

>  <Item Name> (262)
Diammonium Glycyrrhizinate

>  <Catalog Number> (262)
S3622

>  <Synonyms> (262)
N/A

>  <Target> (262)
Others

>  <Form> (262)
ammonium salt 

>  <URL> (262)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (262)
79165-06-3

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (263)
3319

>  <Formula> (263)
C14H21NO3S

>  <MolWeight> (263)
283.38644

>  <Item Name> (263)
Reparixin (Repertaxin)

>  <Catalog Number> (263)
S8640

>  <Synonyms> (263)
N/A

>  <Target> (263)
CXCR1,CXCR2,CXCL8

>  <Form> (263)
free base

>  <URL> (263)
http://www.selleckchem.com/products/reparixin-repertaxin.html

>  <CAS Number> (263)
266359-83-5

$$$$
S3668 Thymopentin.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (264)
3334

>  <Formula> (264)
C30H49N9O9

>  <MolWeight> (264)
679.76496

>  <Item Name> (264)
Thymopentin

>  <Catalog Number> (264)
S3668

>  <Synonyms> (264)
TP5

>  <Target> (264)
Immunology & Inflammation related

>  <Form> (264)
free base

>  <URL> (264)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (264)
69558-55-0

$$$$
S3120 Doxepin hydrochloride.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (265)
3340

>  <Formula> (265)
C19H22ClNO

>  <MolWeight> (265)
315.83708

>  <Item Name> (265)
Doxepin hydrochloride

>  <Catalog Number> (265)
S3120

>  <Synonyms> (265)
N/A

>  <Target> (265)
CYP2D6

>  <Form> (265)
hydrochloride

>  <URL> (265)
http://www.selleckchem.com/products/doxepin-hydrochloride-sinequan.html

>  <CAS Number> (265)
1229-29-4

$$$$
S3726 Selexipag.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (266)
3349

>  <Formula> (266)
C26H32N4O4S

>  <MolWeight> (266)
496.62168

>  <Item Name> (266)
Selexipag

>  <Catalog Number> (266)
S3726

>  <Synonyms> (266)
NS-304, ACT-293987

>  <Target> (266)
prostacyclin IP receptor

>  <Form> (266)
free base

>  <URL> (266)
http://www.selleckchem.com/products/selexipag.html

>  <CAS Number> (266)
475086-01-2

$$$$
S3648 Amlexanox.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (267)
3361

>  <Formula> (267)
C16H14N2O4

>  <MolWeight> (267)
298.29336

>  <Item Name> (267)
Amlexanox

>  <Catalog Number> (267)
S3648

>  <Synonyms> (267)
AA-673, CHX-3673

>  <Target> (267)
TBK1,IKK-¦Å

>  <Form> (267)
free base

>  <URL> (267)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (267)
68302-57-8

$$$$
S3659 Fludrocortisone (acetate).cdx
csChFnd80/10101813212D

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>  <Mol_ID> (268)
3369

>  <Formula> (268)
C23H31FO6

>  <MolWeight> (268)
422.4870432

>  <Item Name> (268)
Fludrocortisone acetate

>  <Catalog Number> (268)
S3659

>  <Synonyms> (268)
9¦Á-fluorocortisol acetate

>  <Target> (268)
others

>  <Form> (268)
free base

>  <URL> (268)
http://www.selleckchem.com/products/fludrocortisone-acetate.html

>  <CAS Number> (268)
514-36-3

$$$$
S3721 Bilastine.cdx
csChFnd80/10101813212D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    3.7678    1.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    3.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    2.5864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0722    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419    3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0519    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0489    3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116    5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1579    2.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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   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
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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 16  3  1  0  0  0  0
 22  4  1  0  0  0  0
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 23  5  1  0  0  0  0
  6  9  1  0  0  0  0
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 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
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 15 10  1  0  0  0  0
 14 11  1  0  0  0  0
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 25 16  1  0  0  0  0
 21 17  1  0  0  0  0
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  6 30  1  0  0  0  0
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  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> (269)
3388

>  <Formula> (269)
C28H37N3O3

>  <MolWeight> (269)
463.61168

>  <Item Name> (269)
Bilastine

>  <Catalog Number> (269)
S3721

>  <Synonyms> (269)
N/A

>  <Target> (269)
H1 receptor

>  <Form> (269)
free base

>  <URL> (269)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (269)
202189-78-4

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/10101813212D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    0.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.0749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.4212    4.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    6.3570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3566    7.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5727    6.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9977    6.3502    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.7752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.3855    6.3438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  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 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 15 17  2  0  0  0  0
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 17 18  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (270)
3395

>  <Formula> (270)
C17H17N3Na2O8

>  <MolWeight> (270)
437.31172

>  <Item Name> (270)
Balsalazide disodium

>  <Catalog Number> (270)
S3745

>  <Synonyms> (270)
N/A

>  <Target> (270)
Immunology & Inflammation related

>  <Form> (270)
disodium salt dihydrate

>  <URL> (270)
http://www.selleckchem.com/products/balsalazide-disodium.html

>  <CAS Number> (270)
150399-21-6

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/10101813212D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.9260    1.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2983    2.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7447    3.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    4.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4464    4.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4224    1.4396    0.0000 I   0  3  0  0  0  0  0  0  0  0  0  0
    4.5634    2.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1446    3.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9298    1.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8773    2.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0921    4.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (271)
3397

>  <Formula> (271)
C12H8ClI

>  <MolWeight> (271)
314.54939

>  <Item Name> (271)
Diphenyleneiodonium chloride (DPI)

>  <Catalog Number> (271)
S8639

>  <Synonyms> (271)
N/A

>  <Target> (271)
NADPH oxidase

>  <Form> (271)
chloride

>  <URL> (271)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

>  <CAS Number> (271)
4673-26-1

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/10101813212D

 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
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
  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> (272)
3412

>  <Formula> (272)
C14H12O2

>  <MolWeight> (272)
212.24388

>  <Item Name> (272)
4-Biphenylacetic acid

>  <Catalog Number> (272)
S3685

>  <Synonyms> (272)
BPA

>  <Target> (272)
Immunology & Inflammation related

>  <Form> (272)
free base

>  <URL> (272)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (272)
5728-52-9

$$$$
S3680 NLRP3 Inflammasome Inhibitor I.cdx
csChFnd80/10101813212D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0368    5.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6368    7.5076    0.0000 O   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
  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
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  2  0  0  0  0
  6 24  1  0  0  0  0
M  END
>  <Mol_ID> (273)
3417

>  <Formula> (273)
C16H17ClN2O4S

>  <MolWeight> (273)
368.83518

>  <Item Name> (273)
NLRP3 Inflammasome Inhibitor I

>  <Catalog Number> (273)
S3680

>  <Synonyms> (273)
N/A

>  <Target> (273)
NLRP3 inflammasome

>  <Form> (273)
free base

>  <URL> (273)
http://www.selleckchem.com/products/nlrp3-Inflammasome-inhibitor-i.html

>  <CAS Number> (273)
16673-34-0

$$$$
CA-4948.cdx
csChFnd80/10101813212D

 31 35  0  0  0  0  0  0  0  0999 V2000
    6.3544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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3444

>  <Formula> (274)
C21H19N7O3

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CA-4948

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S8562

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N/A

>  <Target> (274)
IRAK4

>  <Form> (274)
free base

>  <URL> (274)
http://www.selleckchem.com/products/ca-4948.html

>  <CAS Number> (274)
1801343-74-7

$$$$
BAY 1895344.cdx
csChFnd80/10101813212D

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3461

>  <Formula> (275)
C20H22ClN7O

>  <MolWeight> (275)
411.88798

>  <Item Name> (275)
BAY 1895344

>  <Catalog Number> (275)
S8666

>  <Synonyms> (275)
N/A

>  <Target> (275)
ATR

>  <Form> (275)
hydrochloride

>  <URL> (275)
http://www.selleckchem.com/products/bay-1895344.html

>  <CAS Number> (275)
1876467-74-1(free base)

$$$$
S3956 Tetramethylpyrazine.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (276)
3484

>  <Formula> (276)
C8H12N2

>  <MolWeight> (276)
136.19428

>  <Item Name> (276)
Tetramethylpyrazine

>  <Catalog Number> (276)
S3956

>  <Synonyms> (276)
ligustrazine

>  <Target> (276)
PDE

>  <Form> (276)
free base

>  <URL> (276)
http://www.selleckchem.com/products/tetramethylpyrazine.html

>  <CAS Number> (276)
1124-11-4

$$$$
S3761 Eucalyptol.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (277)
3490

>  <Formula> (277)
C10H18O

>  <MolWeight> (277)
154.24932

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Eucalyptol

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S3761

>  <Synonyms> (277)
1,8-cineol; 1,8-cineole|cajeputol; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; cineol; cineole

>  <Target> (277)
Others

>  <Form> (277)
free base

>  <URL> (277)
http://www.selleckchem.com/products/eucalyptol.html

>  <CAS Number> (277)
470-82-6

$$$$
S3823 Schizandrol A.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (278)
3502

>  <Formula> (278)
C24H32O7

>  <MolWeight> (278)
432.50668

>  <Item Name> (278)
Schizandrol A

>  <Catalog Number> (278)
S3823

>  <Synonyms> (278)
N/A

>  <Target> (278)
Others

>  <Form> (278)
free base

>  <URL> (278)
http://www.selleckchem.com/products/schizandrol-a.html

>  <CAS Number> (278)
7432-28-2

$$$$
S3824 Quercitrin.cdx
csChFnd80/10101813212D

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   10.9175    8.3902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (279)
3503

>  <Formula> (279)
C21H20O11

>  <MolWeight> (279)
448.3769

>  <Item Name> (279)
Quercitrin

>  <Catalog Number> (279)
S3824

>  <Synonyms> (279)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (279)
Others

>  <Form> (279)
free base

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

>  <CAS Number> (279)
522-12-3

$$$$
S3827 Royal jelly acid.cdx
csChFnd80/10101813212D

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  8 10  1  0  0  0  0
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  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (280)
3506

>  <Formula> (280)
C10H18O3

>  <MolWeight> (280)
186.24812

>  <Item Name> (280)
Royal jelly acid

>  <Catalog Number> (280)
S3827

>  <Synonyms> (280)
10-Hydroxy-trans-2-decenoic acid, 10H2DA|

>  <Target> (280)
Others

>  <Form> (280)
free base

>  <URL> (280)
http://www.selleckchem.com/products/royal-jelly-acid.html

>  <CAS Number> (280)
14113-05-4

$$$$
S3829 Isoalantolactone.cdx
csChFnd80/10101813212D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.2875    3.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  6  1  0  0  0  0
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 10  7  1  0  0  0  0
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 13 10  2  0  0  0  0
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M  END
>  <Mol_ID> (281)
3508

>  <Formula> (281)
C15H20O2

>  <MolWeight> (281)
232.3181

>  <Item Name> (281)
Isoalantolactone

>  <Catalog Number> (281)
S3829

>  <Synonyms> (281)
N/A

>  <Target> (281)
Others

>  <URL> (281)
http://www.selleckchem.com/products/isoalantolactone.html

>  <CAS Number> (281)
470-17-7

$$$$
S3834 Astaxanthin.cdx
csChFnd80/10101813212D

 44 45  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1161    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 42 44  1  6  0  0  0
M  END
>  <Mol_ID> (282)
3510

>  <Formula> (282)
C40H52O4

>  <MolWeight> (282)
596.83848

>  <Item Name> (282)
Astaxanthin

>  <Catalog Number> (282)
S3834

>  <Synonyms> (282)
¦Â-Carotene-4,4'-dione, trans-Astaxanthin

>  <Target> (282)
Others

>  <Form> (282)
free base

>  <URL> (282)
http://www.selleckchem.com/products/astaxanthin.html

>  <CAS Number> (282)
472-61-7

$$$$
S3835 Loganin.cdx
csChFnd80/10101813212D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.2655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 12  7  1  1  0  0  0
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M  END
>  <Mol_ID> (283)
3511

>  <Formula> (283)
C17H26O10

>  <MolWeight> (283)
390.38234

>  <Item Name> (283)
Loganin

>  <Catalog Number> (283)
S3835

>  <Synonyms> (283)
Loganoside

>  <Target> (283)
AChE,BACE1,BChE

>  <Form> (283)
free base

>  <URL> (283)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (283)
18524-94-2

$$$$
S3838 Carnosic acid.cdx
csChFnd80/10101813212D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0439    4.2039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8345    3.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    3.4901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0439    5.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2389    5.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4712    4.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2176    4.1920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2096    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  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  1  0  0  0  0
  3 25  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 17  1  0  0  0  0
 13 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (284)
3513

>  <Formula> (284)
C20H28O4

>  <MolWeight> (284)
332.43392

>  <Item Name> (284)
Carnosic acid

>  <Catalog Number> (284)
S3838

>  <Synonyms> (284)
salvin

>  <Target> (284)
Others

>  <Form> (284)
free base

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

>  <CAS Number> (284)
3650-09-7

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10101813212D

 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
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    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (285)
3514

>  <Formula> (285)
C27H30O10

>  <MolWeight> (285)
514.5211

>  <Item Name> (285)
Baohuoside I

>  <Catalog Number> (285)
S3840

>  <Synonyms> (285)
Icariside II

>  <Target> (285)
ROS

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

>  <CAS Number> (285)
113558-15-9

$$$$
S3841 Eleutheroside B.cdx
csChFnd80/10101813212D

 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
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   12.1228    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (286)
3515

>  <Formula> (286)
C17H24O9

>  <MolWeight> (286)
372.36706

>  <Item Name> (286)
Eleutheroside B

>  <Catalog Number> (286)
S3841

>  <Synonyms> (286)
syringin, Syringoside, Lilacin

>  <Target> (286)
Others

>  <Form> (286)
free base

>  <URL> (286)
http://www.selleckchem.com/products/eleutheroside-b.html

>  <CAS Number> (286)
118-34-3

$$$$
S3968 Histamine.cdx
csChFnd80/10101813212D

  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> (287)
3519

>  <Formula> (287)
C5H9N3

>  <MolWeight> (287)
111.14506

>  <Item Name> (287)
Histamine

>  <Catalog Number> (287)
S3968

>  <Synonyms> (287)
N/A

>  <Target> (287)
Histamine receptor

>  <Form> (287)
free base

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

>  <CAS Number> (287)
51-45-6

$$$$
S3774 Dehydroandrographolide Succinate Potasium Salt.cdx
csChFnd80/10101813212D

 40 41  0  0  0  0  0  0  0  0999 V2000
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   10.8965    6.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1169    7.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    8.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    9.5392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9124   10.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1277   11.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1277   13.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2635   13.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8348   15.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4301   15.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9923   13.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6365    6.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.4285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3370    9.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.3286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9488    2.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3223    0.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (288)
3528

>  <Formula> (288)
C28H35KO10

>  <MolWeight> (288)
570.6698

>  <Item Name> (288)
Dehydroandrographolide Succinate Potasium Sa

>  <Catalog Number> (288)
S3774

>  <Synonyms> (288)
N/A

>  <Target> (288)
Immunology & Inflammation

>  <Form> (288)
potassium salt

>  <URL> (288)
http://www.selleckchem.com/products/dehydroandrographolide-succinate-potasium-salt.html

>  <CAS Number> (288)
76958-99-1

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/10101813212D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  CFW  27 BOND_GSTEREO 4
M  END
>  <Mol_ID> (289)
3534

>  <Formula> (289)
C19H24ClNO4

>  <MolWeight> (289)
365.85116

>  <Item Name> (289)
Sinomenine hydrochloride

>  <Catalog Number> (289)
S3758

>  <Synonyms> (289)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (289)
Immunology & Inflammation

>  <Form> (289)
hydrochloride

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

>  <CAS Number> (289)
6080-33-7

$$$$
S3788 Carvacrol.cdx
csChFnd80/10101813212D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (290)
3537

>  <Formula> (290)
C10H14O

>  <MolWeight> (290)
150.21756

>  <Item Name> (290)
Carvacrol

>  <Catalog Number> (290)
S3788

>  <Synonyms> (290)
cymophenol

>  <Target> (290)
Others

>  <Form> (290)
free base

>  <URL> (290)
http://www.selleckchem.com/products/carvacrol.html

>  <CAS Number> (290)
499-75-2

$$$$
S3783 Echinacoside.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (291)
3541

>  <Formula> (291)
C35H46O20

>  <MolWeight> (291)
786.72774

>  <Item Name> (291)
Echinacoside

>  <Catalog Number> (291)
S3783

>  <Synonyms> (291)
N/A

>  <Target> (291)
Others

>  <Form> (291)
free base

>  <URL> (291)
http://www.selleckchem.com/products/echinacoside.html

>  <CAS Number> (291)
82854-37-3

$$$$
S3932 Astilbin.cdx
csChFnd80/10101813212D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   12.1355    1.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295   10.5515    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  6  0  0  0
  1  4  1  0  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  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
 12  6  1  6  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
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 16 21  2  0  0  0  0
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 18 25  1  0  0  0  0
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 28 31  1  6  0  0  0
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M  END
>  <Mol_ID> (292)
3551

>  <Formula> (292)
C21H22O11

>  <MolWeight> (292)
450.39278

>  <Item Name> (292)
Astilbin

>  <Catalog Number> (292)
S3932

>  <Synonyms> (292)
Isoastilbin, Neoastilbin, Neoisoastilbin, Taxifolin 3-O-rhamnoside, Taxifolin 3-rhamnoside

>  <Target> (292)
Immunology & Inflammation related

>  <Form> (292)
free base

>  <URL> (292)
http://www.selleckchem.com/products/astilbin.html

>  <CAS Number> (292)
29838-67-3

$$$$
S3757 2'-Deoxyinosine.cdx
csChFnd80/10101813212D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.7417    5.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5849    6.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    7.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    4.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473    2.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872    3.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670    7.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    7.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    1.6064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4829    2.0314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.6115    1.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
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 12 16  1  1  0  0  0
 12 13  1  0  0  0  0
 13 17  1  6  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (293)
3557

>  <Formula> (293)
C10H12N4O4

>  <MolWeight> (293)
252.22668

>  <Item Name> (293)
2'-Deoxyinosine

>  <Catalog Number> (293)
S3757

>  <Synonyms> (293)
Guanine deoxyriboside, Deoxyinosine

>  <Target> (293)
Others

>  <Form> (293)
free base

>  <URL> (293)
http://www.selleckchem.com/products/2-deoxyinosine.html

>  <CAS Number> (293)
890-38-0

$$$$
S3871 Muscone.cdx
csChFnd80/10101813212D

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.2250    2.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1389    3.1270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4454    2.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5951    3.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4756    0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (294)
3560

>  <Formula> (294)
C16H30O

>  <MolWeight> (294)
238.4088

>  <Item Name> (294)
Muscone

>  <Catalog Number> (294)
S3871

>  <Synonyms> (294)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (294)
Immunology & Inflammation

>  <Form> (294)
free base

>  <URL> (294)
http://www.selleckchem.com/products/muscone.html

>  <CAS Number> (294)
541-91-3

$$$$
S3837 Echinocystic acid.cdx
csChFnd80/10101813212D

 37 41  0  0  0  0  0  0  0  0999 V2000
    9.7780    5.5715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5296    6.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7780    4.1614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9728    6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9728    4.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3299    5.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5296    7.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5099    3.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9925    7.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1492    3.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648    5.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  1  0  0  0
M  END
>  <Mol_ID> (295)
3564

>  <Formula> (295)
C30H48O4

>  <MolWeight> (295)
472.69972

>  <Item Name> (295)
Echinocystic acid

>  <Catalog Number> (295)
S3837

>  <Synonyms> (295)
N/A

>  <Target> (295)
Immunology & Inflammation

>  <Form> (295)
free base

>  <URL> (295)
http://www.selleckchem.com/products/echinocystic-acid.html

>  <CAS Number> (295)
510-30-5

$$$$
S3846 Eupatilin.cdx
csChFnd80/10101813212D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4324    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0454    4.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    2.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (296)
3566

>  <Formula> (296)
C18H16O7

>  <MolWeight> (296)
344.31544

>  <Item Name> (296)
Eupatilin

>  <Catalog Number> (296)
S3846

>  <Synonyms> (296)
NSC 122413

>  <Target> (296)
Others

>  <Form> (296)
free base

>  <URL> (296)
http://www.selleckchem.com/products/eupatilin.html

>  <CAS Number> (296)
22368-21-4

$$$$
S3848 Hydroxytyrosol Acetate.cdx
csChFnd80/10101813212D

 14 14  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (297)
3567

>  <Formula> (297)
C10H12O4

>  <MolWeight> (297)
196.19988

>  <Item Name> (297)
Hydroxytyrosol Acetate

>  <Catalog Number> (297)
S3848

>  <Synonyms> (297)
HTy-Ac

>  <Target> (297)
Others

>  <Form> (297)
free base

>  <URL> (297)
http://www.selleckchem.com/products/hydroxytyrosol-acetate.html

>  <CAS Number> (297)
69039-02-7

$$$$
S4766 Gibberellic acid.cdx
csChFnd80/10101813212D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.0513    4.4188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4356    4.5089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7071    3.0620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3133    5.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    3.2067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3077    5.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    2.3267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3503    2.6905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7139    4.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6971    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    3.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9137    1.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6921    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010    0.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    3.6720    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0100    4.6769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2159    4.1022    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4036    2.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5502    0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5729    4.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6003    1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4960    1.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    1.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0733    5.8612    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  6  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  1  0  0  0
  6  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  1  0  0  0
  9 16  1  0  0  0  0
  9 10  1  6  0  0  0
  9 26  1  0  0  0  0
 10 17  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  1  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  1  0  0  0
 18 23  1  6  0  0  0
 18 19  1  1  0  0  0
 19 24  2  0  0  0  0
  2 27  1  1  0  0  0
M  CFW  22 BOND_GSTEREO 5
M  END
>  <Mol_ID> (298)
3568

>  <Formula> (298)
C19H22O6

>  <MolWeight> (298)
346.37438

>  <Item Name> (298)
Gibberellic acid

>  <Catalog Number> (298)
S4766

>  <Synonyms> (298)
Gibberellin, Gibberellin A3, GA3

>  <Target> (298)
Others

>  <Form> (298)
free base

>  <URL> (298)
http://www.selleckchem.com/products/gibberellic-acid.html

>  <CAS Number> (298)
77-06-5

$$$$
S3948 Spermine.cdx
csChFnd80/10101813212D

 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> (299)
3569

>  <Formula> (299)
C10H26N4

>  <MolWeight> (299)
202.34024

>  <Item Name> (299)
Spermine

>  <Catalog Number> (299)
S3948

>  <Synonyms> (299)
4,9-Diaza-1,12-dodecanediamine

>  <Target> (299)
Others

>  <Form> (299)
free base

>  <URL> (299)
http://www.selleckchem.com/products/spermine.html

>  <CAS Number> (299)
71-44-3

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/10101813212D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.8345    2.1470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2345    2.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808    0.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    3.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (300)
3572

>  <Formula> (300)
C3H6N2O2

>  <MolWeight> (300)
102.09194

>  <Item Name> (300)
L-Cycloserine

>  <Catalog Number> (300)
S3945

>  <Synonyms> (300)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (300)
3-ketodihydrosphingosine synthetase

>  <Form> (300)
free base

>  <URL> (300)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (300)
339-72-0

$$$$
S3893 Bornyl acetate.cdx
csChFnd80/10101813212D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4135    2.8407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0127    1.9180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6825    4.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581    3.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3335    2.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    2.1206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6052    5.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    5.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3200    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6676    1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9590    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992    0.6804    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  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (301)
3573

>  <Formula> (301)
C12H20O2

>  <MolWeight> (301)
196.286

>  <Item Name> (301)
Bornyl acetate

>  <Catalog Number> (301)
S3893

>  <Synonyms> (301)
 Isobornyl acetate, Bornyl acetic ether, 2-Camphanol acetate

>  <Target> (301)
Immunology & Inflammation

>  <Form> (301)
free base

>  <URL> (301)
http://www.selleckchem.com/products/bornyl-acetate.html

>  <CAS Number> (301)
76-49-3

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/10101813212D

 27 24  0  0  0  0  0  0  0  0999 V2000
   14.4179    1.7498    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   13.3505    3.0039    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1744    3.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9389    3.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1744    5.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272    3.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    3.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2805    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0570    3.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8573    3.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457    3.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    3.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3400    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1638    0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9284    0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1638    2.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4698    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2699    0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  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  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 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 27  2  0  0  0  0
M  END
>  <Mol_ID> (302)
3575

>  <Formula> (302)
C22H38O4Zn

>  <MolWeight> (302)
431.92472

>  <Item Name> (302)
Zinc Undecylenate

>  <Catalog Number> (302)
S3979

>  <Synonyms> (302)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (302)
Antifection

>  <Form> (302)
zinc salt

>  <URL> (302)
http://www.selleckchem.com/products/zinc-undecylenate.html

>  <CAS Number> (302)
557-08-4

$$$$
S3885 Pyrogallol.cdx
csChFnd80/10101813212D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4213    1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    4.2038    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
  3  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (303)
3578

>  <Formula> (303)
C6H6O3

>  <MolWeight> (303)
126.11004

>  <Item Name> (303)
Pyrogallol

>  <Catalog Number> (303)
S3885

>  <Synonyms> (303)
1,2,3-trihydroxybenzene

>  <Target> (303)
ROS

>  <Form> (303)
free base

>  <URL> (303)
http://www.selleckchem.com/products/pyrogallol.html

>  <CAS Number> (303)
87-66-1

$$$$
S3892 Isopsoralen.cdx
csChFnd80/10101813212D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.6531    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776    1.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6531    3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    1.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0986    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776    4.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    4.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0986    3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884    1.2613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (304)
3585

>  <Formula> (304)
C11H6O3

>  <MolWeight> (304)
186.16354

>  <Item Name> (304)
Isopsoralen

>  <Catalog Number> (304)
S3892

>  <Synonyms> (304)
angelicin

>  <Target> (304)
Immunology & Inflammation related

>  <Form> (304)
free base

>  <URL> (304)
http://www.selleckchem.com/products/isopsoralen.html

>  <CAS Number> (304)
523-50-2

$$$$
S3874 Curcumenol.cdx
csChFnd80/10101813212D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.7647    2.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7647    4.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4640    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0963    2.5261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6968    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    4.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    3.6623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3070    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    3.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7647    5.5655    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  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  1  0  0  0
  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (305)
3588

>  <Formula> (305)
C15H22O2

>  <MolWeight> (305)
234.33398

>  <Item Name> (305)
Curcumenol

>  <Catalog Number> (305)
S3874

>  <Synonyms> (305)
N/A

>  <Target> (305)
NF-¦ÊB

>  <Form> (305)
free base

>  <URL> (305)
http://www.selleckchem.com/products/curcumenol.html

>  <CAS Number> (305)
19431-84-6

$$$$
S3877 Lysionotin.cdx
csChFnd80/10101813212D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    2.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    4.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    6.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4862    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4852    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9100    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9109    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    0.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  2  0  0  0  0
  9  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
 10  7  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 14 15  2  0  0  0  0
 19 14  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
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (306)
3590

>  <Formula> (306)
C18H16O7

>  <MolWeight> (306)
344.31544

>  <Item Name> (306)
Lysionotin

>  <Catalog Number> (306)
S3877

>  <Synonyms> (306)
N/A

>  <Target> (306)
Immunology & Inflammation related

>  <Form> (306)
free base

>  <URL> (306)
http://www.selleckchem.com/products/lysionotin.html

>  <CAS Number> (306)
152743-19-6

$$$$
S3881 Scopoletin.cdx
csChFnd80/10101813212D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8567    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    0.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (307)
3592

>  <Formula> (307)
C10H8O4

>  <MolWeight> (307)
192.16812

>  <Item Name> (307)
Scopoletin

>  <Catalog Number> (307)
S3881

>  <Synonyms> (307)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (307)
Immunology & Inflammation related

>  <Form> (307)
free base

>  <URL> (307)
http://www.selleckchem.com/products/scopoletin.html

>  <CAS Number> (307)
92-61-5

$$$$
S3803 Angelic acid.cdx
csChFnd80/10101813212D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (308)
3598

>  <Formula> (308)
C5H8O2

>  <MolWeight> (308)
100.11582

>  <Catalog Number> (308)
S3803

>  <Synonyms> (308)
(Z)-2-Methylbut-2-enoic acid

>  <Target> (308)
Others

>  <Form> (308)
free base

>  <URL> (308)
http://www.selleckchem.com/products/angelic-acid.html

>  <CAS Number> (308)
565-63-9

$$$$
S3809 Imperatorin.cdx
csChFnd80/10101813212D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.3622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1528    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808    5.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    3.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559    5.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204    3.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7947    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0018    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8254    6.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9995    0.0000    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
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (309)
3602

>  <Formula> (309)
C16H14O4

>  <MolWeight> (309)
270.27996

>  <Item Name> (309)
Imperatorin

>  <Catalog Number> (309)
S3809

>  <Synonyms> (309)
Ammidin, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene

>  <Target> (309)
Calcium channel

>  <Form> (309)
free base

>  <URL> (309)
http://www.selleckchem.com/products/imperatorin.html

>  <CAS Number> (309)
482-44-0

$$$$
S3847 Panaxatriol.cdx
csChFnd80/10101813212D

 38 42  0  0  0  0  0  0  0  0999 V2000
    6.0432    3.4839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1653    4.1465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8036    4.1946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0432    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    4.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492    5.5891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4691    3.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1653    2.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    3.4998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7875    5.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    1.3786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5011    6.0112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9951    6.3317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3345    4.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    2.0893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3937    4.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6062    7.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2704    9.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3436    8.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6383    9.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2223   10.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9720   10.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8036    2.7786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 35  1  1  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
 10 13  1  0  0  0  0
 11 18  1  1  0  0  0
 11 15  1  0  0  0  0
 12 19  1  0  0  0  0
 12 14  1  0  0  0  0
 13 20  1  1  0  0  0
 15 21  1  0  0  0  0
 15 36  1  6  0  0  0
 16 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 25  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  1  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 31  1  0  0  0  0
 19 37  1  1  0  0  0
 12 38  1  6  0  0  0
M  END
>  <Mol_ID> (310)
3605

>  <Formula> (310)
C30H52O4

>  <MolWeight> (310)
476.73148

>  <Item Name> (310)
Panaxatriol

>  <Catalog Number> (310)
S3847

>  <Synonyms> (310)
N/A

>  <Target> (310)
Others

>  <Form> (310)
free base

>  <URL> (310)
http://www.selleckchem.com/products/panaxatriol.html

>  <CAS Number> (310)
32791-84-7

$$$$
S3778 Patchouli alcohol.cdx
csChFnd80/10101813212D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.8974    2.2469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7063    4.1351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2171    1.6063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2324    1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400    3.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    4.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460    4.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011    0.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    2.5051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8667    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4647    1.3982    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3043    3.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4005    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101    4.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0822    2.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8648    1.2439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  1  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  1  0  0  0
  1 17  1  6  0  0  0
  3 18  1  6  0  0  0
M  END
>  <Mol_ID> (311)
3612

>  <Formula> (311)
C15H26O

>  <MolWeight> (311)
222.36634

>  <Item Name> (311)
Patchouli alcohol

>  <Catalog Number> (311)
S3778

>  <Synonyms> (311)
(-)-Patchouli Alcohol, Patchoulol, Patchouli camphor

>  <Target> (311)
Immunology & Inflammation related

>  <Form> (311)
free base

>  <URL> (311)
http://www.selleckchem.com/products/patchouli-alcohol.html

>  <CAS Number> (311)
5986-55-0

$$$$
S3790 Methyl gallate.cdx
csChFnd80/10101813212D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  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
    2.1000    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
    1.4000    2.4249    0.0000 C   0  0  0  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
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 10  2  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (312)
3618

>  <Formula> (312)
C8H8O5

>  <MolWeight> (312)
184.14612

>  <Item Name> (312)
Methyl gallate

>  <Catalog Number> (312)
S3790

>  <Synonyms> (312)
Methylgallate, Gallic acid methyl ester, Gallicin

>  <Target> (312)
Immunology & Inflammation related

>  <Form> (312)
free base

>  <URL> (312)
http://www.selleckchem.com/products/methyl-gallate.html

>  <CAS Number> (312)
99-24-1

$$$$
S3799 Gentisic acid.cdx
csChFnd80/10101813212D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    2.4249    0.0000    0.0000 C   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  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 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (313)
3626

>  <Formula> (313)
C7H6O4

>  <MolWeight> (313)
154.12014

>  <Item Name> (313)
Gentisic acid

>  <Catalog Number> (313)
S3799

>  <Synonyms> (313)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (313)
Immunology & Inflammation related

>  <Form> (313)
free base

>  <URL> (313)
http://www.selleckchem.com/products/gentisic-acid.html

>  <CAS Number> (313)
490-79-9

$$$$
S3765 Picroside II.cdx
csChFnd80/10101813212D

 38 42  0  0  0  0  0  0  0  0999 V2000
    7.4409    5.8897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2212    7.0600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0611    6.2926    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8450    5.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1992    4.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3537    8.1650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0601    7.6958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8484    5.5912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2705    3.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7435    9.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    8.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    6.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0931    9.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    7.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    3.4960    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0934    8.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4244   11.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    4.1932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    2.0847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4342    9.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7564    7.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4198    1.3893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8409    1.3823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4377    8.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7665    6.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    2.0956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0012    4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1114    6.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7874    8.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038    5.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1165    5.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1142   10.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2286    4.9051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1821    9.0880    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  6  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  4  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  6  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  6  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 16 12  1  1  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  6  0  0  0
 21 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  1  0  0  0
 24 30  1  1  0  0  0
 24 28  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 31  2  0  0  0  0
 28 33  1  6  0  0  0
 29 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
  3 37  1  6  0  0  0
  7 38  1  6  0  0  0
M  END
>  <Mol_ID> (314)
3632

>  <Formula> (314)
C23H28O13

>  <MolWeight> (314)
512.46062

>  <Item Name> (314)
Picroside II

>  <Catalog Number> (314)
S3765

>  <Synonyms> (314)
6-Vanilloylcatalpol, Vanilloyl catalpol

>  <Target> (314)
Immunology & Inflammation related

>  <Form> (314)
free base

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

>  <CAS Number> (314)
39012-20-9

$$$$
S3926 Forsythin.cdx
csChFnd80/10101813212D

 40 44  0  0  0  0  0  0  0  0999 V2000
    8.2797    4.3286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3422    5.3682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5584    4.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5807    3.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    4.7978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0413    6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4109    6.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    4.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9853    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1962    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    7.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    5.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1971    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    8.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4101    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    7.5942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    9.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6220    2.8036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6209    4.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8350    2.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8328    4.9046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0470    2.8055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8362    0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0459    4.2055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8317    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2600    2.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2578    4.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0436    7.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2173    3.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4047    6.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9863    0.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7744    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 37  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 38  1  6  0  0  0
  3  7  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
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 28 30  1  0  0  0  0
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 15 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (315)
3642

>  <Formula> (315)
C27H34O11

>  <MolWeight> (315)
534.55226

>  <Item Name> (315)
Forsythin

>  <Catalog Number> (315)
S3926

>  <Synonyms> (315)
Phillyrin

>  <Target> (315)
Others

>  <Form> (315)
free base

>  <URL> (315)
http://www.selleckchem.com/products/forsythin.html

>  <CAS Number> (315)
487-41-2

$$$$
S3927 Swertiamarin.cdx
csChFnd80/10101813212D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.4764    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6327    3.4981    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6327    2.0929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0546    3.4981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4219    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2110    2.0929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 12  1  1  0  0  0  0
  4  2  1  0  0  0  0
 18  2  1  0  0  0  0
  3 10  1  1  0  0  0
  5  3  1  0  0  0  0
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  4 15  1  6  0  0  0
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  6  5  1  0  0  0  0
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 11  6  1  0  0  0  0
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 13  8  1  0  0  0  0
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 25 24  1  0  0  0  0
  2 26  1  1  0  0  0
M  END
>  <Mol_ID> (316)
3643

>  <Formula> (316)
C16H22O10

>  <MolWeight> (316)
374.33988

>  <Item Name> (316)
Swertiamarin

>  <Catalog Number> (316)
S3927

>  <Synonyms> (316)
Swertiamarin

>  <Target> (316)
Others

>  <Form> (316)
free base

>  <URL> (316)
http://www.selleckchem.com/products/swertiamarin.html

>  <CAS Number> (316)
17388-39-5

$$$$
S3872 Guaiacol.cdx
csChFnd80/10101813212D

  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> (317)
3650

>  <Formula> (317)
C7H8O2

>  <MolWeight> (317)
124.13722

>  <Item Name> (317)
Guaiacol

>  <Catalog Number> (317)
S3872

>  <Synonyms> (317)
o-methoxyphenol, 2-hydroxyanisole, O-methylcatechol

>  <Target> (317)
Others

>  <Form> (317)
free base

>  <URL> (317)
http://www.selleckchem.com/products/guaiacol.html

>  <CAS Number> (317)
90-05-1

$$$$
S3906 2,3,5,4-tetrahydroxyl diphenylethylene-2-o-glucoside.cdx
csChFnd80/10101813212D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  5  9  1  1  0  0  0
  4 10  1  6  0  0  0
  3 11  1  1  0  0  0
  2 12  1  6  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (318)
3651

>  <Formula> (318)
C20H22O9

>  <MolWeight> (318)
406.38328

>  <Item Name> (318)
Astragalus polyphenols

>  <Catalog Number> (318)
S3906

>  <Synonyms> (318)
N/A

>  <Target> (318)
Immunology & Inflammation related

>  <Form> (318)
free base

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

>  <CAS Number> (318)
82373-94-2

$$$$
S3907 Bulleyaconi cine A.cdx
csChFnd80/10101813212D

 49 55  0  0  0  0  0  0  0  0999 V2000
    3.8321    5.2897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5325    3.9457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0774    6.4974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0808    5.8891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8241    6.2113    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2385    3.5506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4044    2.8878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.9388    5.1035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1240    7.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8050    1.5801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8807    6.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6337    7.4646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4996    8.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713    1.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1670    7.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6337    8.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6314    8.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4421    3.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    2.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6021    2.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1470    1.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  1  0  0  0
 23 31  1  0  0  0  0
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 26 32  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  2  0  0  0  0
 29 35  1  1  0  0  0
 32 36  1  0  0  0  0
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 38 41  1  0  0  0  0
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M  END
>  <Mol_ID> (319)
3652

>  <Formula> (319)
C35H49NO9

>  <MolWeight> (319)
627.76486

>  <Item Name> (319)
Bulleyaconi cine A

>  <Catalog Number> (319)
S3907

>  <Synonyms> (319)
Bulleyaconitine A, Bulleyaconi cine A

>  <Target> (319)
Sodium channel

>  <Form> (319)
free base

>  <URL> (319)
http://www.selleckchem.com/products/bulleyaconi-cine-a.html

>  <CAS Number> (319)
107668-79-1

$$$$
S3909 Catalpol.cdx
csChFnd80/10101813212D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.7355    5.3729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (320)
3654

>  <Formula> (320)
C15H22O10

>  <MolWeight> (320)
362.32918

>  <Item Name> (320)
Catalpol

>  <Catalog Number> (320)
S3909

>  <Synonyms> (320)
Catalpol, catalpinoside, Digitalis purpurea L

>  <Target> (320)
Others

>  <Form> (320)
free base

>  <URL> (320)
http://www.selleckchem.com/products/catalpol.html

>  <CAS Number> (320)
2415-24-9

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (321)
3658

>  <Formula> (321)
C54H92O23

>  <MolWeight> (321)
1109.29448

>  <Item Name> (321)
Ginsenoside Rb1

>  <Catalog Number> (321)
S3924

>  <Synonyms> (321)
Gypenoside ¢ó

>  <Target> (321)
Others

>  <Form> (321)
free base

>  <URL> (321)
http://www.selleckchem.com/products/ginsenoside-rb1.html

>  <CAS Number> (321)
41753-43-9

$$$$
S3870 D-Pinitol.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (322)
3668

>  <Formula> (322)
C7H14O6

>  <MolWeight> (322)
194.18246

>  <Item Name> (322)
D-Pinitol

>  <Catalog Number> (322)
S3870

>  <Synonyms> (322)
Methylinositol, Pinitol, 3-O-Methyl-D-chiro-inositol, D-(+)-Pinitol, Inzitol

>  <Target> (322)
Others

>  <Form> (322)
free base

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

>  <CAS Number> (322)
10284-63-6

$$$$
S3855 Ethyl ferulate.cdx
csChFnd80/10101813212D

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    7.2498    6.3281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    4.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8571    4.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (323)
3674

>  <Formula> (323)
C12H14O4

>  <MolWeight> (323)
222.23716

>  <Item Name> (323)
Ethyl ferulate

>  <Catalog Number> (323)
S3855

>  <Synonyms> (323)
Ferulic acid ethyl ester, Ethyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (323)
Others

>  <Form> (323)
free base

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

>  <CAS Number> (323)
4046-02-0

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/10101813212D

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4336    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2459    4.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378    1.7141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0787    3.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    5.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2868    5.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702    6.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2092    2.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1172    4.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4255    6.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1280    6.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840    4.0681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9054    6.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6574    4.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    6.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    6.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975    4.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9011    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
  3  8  1  6  0  0  0
  3  9  1  1  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (324)
3683

>  <Formula> (324)
C20H16N2O5

>  <MolWeight> (324)
364.35144

>  <Item Name> (324)
Hydroxy Camptothecine

>  <Catalog Number> (324)
S3898

>  <Synonyms> (324)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (324)
DNA topoisomerase I

>  <Form> (324)
free base

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

>  <CAS Number> (324)
64439-81-2

$$$$
S4761 Thymoquinone.cdx
csChFnd80/10101813212D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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
    6.0622    3.5000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (325)
3701

>  <Formula> (325)
C10H12O2

>  <MolWeight> (325)
164.20108

>  <Item Name> (325)
Thymoquinone

>  <Catalog Number> (325)
S4761

>  <Synonyms> (325)
N/A

>  <Target> (325)
Others

>  <Form> (325)
free base

>  <URL> (325)
http://www.selleckchem.com/products/thymoquinone.html

>  <CAS Number> (325)
490-91-5

$$$$
Takinib.cdx
csChFnd80/10101813212D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.9686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    4.8360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792    3.6235    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  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  2  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (326)
3702

>  <Formula> (326)
C18H18N4O2

>  <MolWeight> (326)
322.36112

>  <Item Name> (326)
Takinib

>  <Catalog Number> (326)
S8663

>  <Synonyms> (326)
EDHS-206

>  <Target> (326)
TAK1,IRAK4,IRAK1

>  <Form> (326)
free base

>  <URL> (326)
http://www.selleckchem.com/products/takinib.html

>  <CAS Number> (326)
1111556-37-6

$$$$
S4781 Xanthoxyline.cdx
csChFnd80/10101813212D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (327)
3726

>  <Formula> (327)
C10H12O4

>  <MolWeight> (327)
196.19988

>  <Item Name> (327)
Xanthoxyline

>  <Catalog Number> (327)
S4781

>  <Synonyms> (327)
Brevifolin

>  <Target> (327)
Others

>  <Form> (327)
free base

>  <URL> (327)
http://www.selleckchem.com/products/xanthoxyline.html

>  <CAS Number> (327)
90-24-4

$$$$
S3949 N-Sulfo-glucosamine sodium salt.cdx
csChFnd80/10101813212D

 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> (328)
3777

>  <Formula> (328)
C6H12NNaO8S

>  <MolWeight> (328)
281.21615

>  <Item Name> (328)
N-Sulfo-glucosamine sodium salt

>  <Catalog Number> (328)
S3949

>  <Synonyms> (328)
N-sulfoglucosamine sodium salt, N-Sulfo-D-glucosamine sodium salt

>  <Target> (328)
Others

>  <Form> (328)
sodium salt

>  <URL> (328)
http://www.selleckchem.com/products/n-sulfo-glucosamine-sodium-salt.html

>  <CAS Number> (328)
38899-05-7

$$$$
S3951 Tannic acid.cdx
csChFnd80/10101813212D

122132  0  0  0  0  0  0  0  0999 V2000
   12.5946   10.9248    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9904   10.9292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8929   12.1313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8984    9.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6846   12.1404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6942    9.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5871   13.3426    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4929   12.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4984    9.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9828   13.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0847   12.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0942    9.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8832   14.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7891   13.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8022    8.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7946   10.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7808   13.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7980    8.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903   10.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793   15.7674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (329)
3779

>  <Formula> (329)
C76H52O46

>  <MolWeight> (329)
1701.19848

>  <Item Name> (329)
Tannic acid

>  <Catalog Number> (329)
S3951

>  <Synonyms> (329)
Gallotannic acid

>  <Target> (329)
CXCR4 

>  <Form> (329)
free base

>  <URL> (329)
http://www.selleckchem.com/products/tannic-acid.html

>  <CAS Number> (329)
1401-55-4

$$$$
S3975 Protocatechuic acid.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (330)
3795

>  <Formula> (330)
C7H6O4

>  <MolWeight> (330)
154.12014

>  <Item Name> (330)
Protocatechuic acid

>  <Catalog Number> (330)
S3975

>  <Synonyms> (330)
3,4-Dihydroxybenzoic acid, Protocatechuate

>  <Target> (330)
Others

>  <Form> (330)
free base

>  <URL> (330)
http://www.selleckchem.com/products/protocatechuic-acid.html

>  <CAS Number> (330)
99-50-3

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/10101813212D

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    4.7735    4.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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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  1  1  0  0  0  0
  3  5  1  0  0  0  0
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  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
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 36 37  1  0  0  0  0
 37 28  2  0  0  0  0
M  END
>  <Mol_ID> (331)
3800

>  <Formula> (331)
C20H22N4O10S

>  <MolWeight> (331)
510.47448

>  <Item Name> (331)
Cefuroxime axetil

>  <Catalog Number> (331)
S4813

>  <Synonyms> (331)
N/A

>  <Target> (331)
Antifection

>  <Form> (331)
free base

>  <URL> (331)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (331)
64544-07-6

$$$$
S3879 kaempferide.cdx
csChFnd80/10101813212D

 22 24  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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 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
  8 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (332)
3838

>  <Formula> (332)
C16H12O6

>  <MolWeight> (332)
300.26288

>  <Item Name> (332)
kaempferide

>  <Catalog Number> (332)
S3879

>  <Synonyms> (332)
4'-Methylkaempferol, 4'-O-Methylkaempferol, Kaempferol 4'-methyl ether

>  <Target> (332)
Others

>  <Form> (332)
free base

>  <URL> (332)
http://selleckchem.com/products/kaempferide.html

>  <CAS Number> (332)
491-54-3
491-54-3

$$$$
S4990 TBHQ.cdx
csChFnd80/10101813212D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    3.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1723    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
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  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (333)
3854

>  <Formula> (333)
C10H14O2

>  <MolWeight> (333)
166.21696

>  <Item Name> (333)
TBHQ

>  <Catalog Number> (333)
S4990

>  <Synonyms> (333)
Tert-butylhydroquinone

>  <Target> (333)
Nrf2

>  <Form> (333)
free base

>  <URL> (333)
http://selleckchem.com/products/tbhq.html

>  <CAS Number> (333)
1948-33-0

$$$$
S5031 Sulfaquinoxaline sodium.cdx
csChFnd80/10101813212D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.7000    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    2.8000    0.0000 N   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
   12.1244    0.7000    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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8397    1.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 12 21  2  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (334)
3858

>  <Formula> (334)
C14H11N4NaO2S

>  <MolWeight> (334)
322.31751

>  <Item Name> (334)
Sulfaquinoxaline sodium

>  <Catalog Number> (334)
S5031

>  <Synonyms> (334)
SQ-Na

>  <Target> (334)
Anti-infection

>  <Form> (334)
sodium salt

>  <URL> (334)
http://selleckchem.com/products/sulfaquinoxaline-sodium.html

>  <CAS Number> (334)
967-80-6

$$$$
S5083 Lentinan.cdx
csChFnd80/10101813212D

 81 85  0  0  0  0  0  0  0  0999 V2000
    8.4830    4.7249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.5713    5.9187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4509    6.0497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6808    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6231    2.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9883    5.9061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8823    7.1280    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7509    7.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7929    8.3182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.4000    2.4321    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.4136    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6901    9.5402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7137   14.3835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0981   16.8167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0042   15.5904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0137   13.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6935   16.8138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7981   18.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   15.5904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9935   18.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1969   18.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3158   14.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9217   14.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8742   10.9023    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   12.1132    8.9617    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   22.8327    8.2300    0.0000 R   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
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 40 50  1  1  0  0  0
 44 51  1  1  0  0  0
 44 52  1  0  0  0  0
 46 53  1  1  0  0  0
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 56 51  1  1  0  0  0
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 57 60  1  6  0  0  0
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 59 63  1  0  0  0  0
 61 64  1  1  0  0  0
 66 65  1  1  0  0  0
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 67 69  1  0  0  0  0
 68 70  1  0  0  0  0
 68 71  1  6  0  0  0
 69 72  1  0  0  0  0
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 72 75  1  6  0  0  0
 73 76  1  0  0  0  0
  8  9  1  0  0  0  0
 18 24  1  0  0  0  0
 28 34  1  0  0  0  0
 40 48  1  0  0  0  0
 46 52  1  0  0  0  0
 61 63  1  0  0  0  0
 70 72  1  0  0  0  0
 59 77  1  1  0  0  0
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 53 65  1  0  0  0  0
 50 79  1  0  0  0  0
A   80
n
A   81
n
M  END
>  <Mol_ID> (335)
3867

>  <Formula> (335)
C42H70O35R2

>  <MolWeight> (335)
1134.9842

>  <Item Name> (335)
Lentinan

>  <Catalog Number> (335)
S5083

>  <Synonyms> (335)
A823605, Bromoduline

>  <Target> (335)
Immunology & Inflammation related

>  <URL> (335)
http://selleckchem.com/products/lentinan.html

>  <CAS Number> (335)
37339-90-5

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/10101813212D

 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
    8.4819    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4819    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4278    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9054    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
  5 24  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (336)
3881

>  <Formula> (336)
C15H17FN4O3R

>  <MolWeight> (336)
320.3188832

>  <Item Name> (336)
Enoxacin Sesquihydrate

>  <Catalog Number> (336)
S5209

>  <Synonyms> (336)
Enoxacin hydrate

>  <Target> (336)
Anti-infection

>  <Form> (336)
sesquihydrate

>  <URL> (336)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

>  <CAS Number> (336)
84294-96-2

$$$$
S5210 Sulfamethazine Sodium Salt.cdx
csChFnd80/10101813212D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 S   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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    6.0622    5.6000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   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
    8.4870    1.4000    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (337)
3882

>  <Formula> (337)
C12H13N4NaO2S

>  <MolWeight> (337)
300.31199

>  <Item Name> (337)
Sulfamethazine Sodium Salt

>  <Catalog Number> (337)
S5210

>  <Synonyms> (337)
Sulfadimethyldiazine Sodium Salt

>  <Target> (337)
Anti-infection

>  <Form> (337)
sodium salt 

>  <URL> (337)
http://selleckchem.com/products/sulfamethazine-sodium-salt.html

>  <CAS Number> (337)
1981-58-4

$$$$
S5211 4-Aminosalicylic acid.cdx
csChFnd80/10101813212D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.1858    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5860    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121    1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003    3.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2216    1.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3486    3.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    2.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3980    0.0000 N   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
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (338)
3883

>  <Formula> (338)
C7H7NO3

>  <MolWeight> (338)
153.13538

>  <Item Name> (338)
4-Aminosalicylic acid

>  <Catalog Number> (338)
S5211

>  <Synonyms> (338)
para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate

>  <Target> (338)
Anti-infection

>  <Form> (338)
free base

>  <URL> (338)
http://selleckchem.com/products/4-aminosalicylic-acid.html

>  <CAS Number> (338)
65-49-6

$$$$
S5212 Imidazolidinyl Urea.cdx
csChFnd80/10101813212D

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.5537    2.3555    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2950    2.9025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4090    0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7662    3.0555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    1.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969    4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922    0.6747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4522    0.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766    2.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446    4.6587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1839    3.0537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766    0.9508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4030    2.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6080    3.0456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    2.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0330    3.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    0.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2536    2.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5056    2.8844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3999    0.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4068    1.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8157    4.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7119    0.6491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3583    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8004    1.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1531    4.6637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (339)
3884

>  <Formula> (339)
C11H16N8O8

>  <MolWeight> (339)
388.29354

>  <Item Name> (339)
Imidazolidinyl Urea

>  <Catalog Number> (339)
S5212

>  <Synonyms> (339)
Imidurea

>  <Target> (339)
Anti-infection

>  <Form> (339)
free base

>  <URL> (339)
http://selleckchem.com/products/imidazolidinyl-urea.html

>  <CAS Number> (339)
39236-46-9

$$$$
S3776 Sophoricoside.cdx
csChFnd80/10101813212D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6274    2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    4.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0362    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0340    4.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (340)
3889

>  <Formula> (340)
C21H20O10

>  <MolWeight> (340)
432.3775

>  <Item Name> (340)
Sophoricoside

>  <Catalog Number> (340)
S3776

>  <Synonyms> (340)
N/A

>  <Target> (340)
Immunology & Inflammation related

>  <URL> (340)
http://selleckchem.com/products/sophoricoside.html

>  <CAS Number> (340)
152-95-4

$$$$
S5039 Actarit.cdx
csChFnd80/10101813212D

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    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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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (341)
3896

>  <Formula> (341)
C10H11NO3

>  <MolWeight> (341)
193.19924

>  <Item Name> (341)
Actarit

>  <Catalog Number> (341)
S5039

>  <Synonyms> (341)
4-acetylaminophenylacetic acid

>  <Target> (341)
Immunology & Inflammation related

>  <Form> (341)
free base

>  <URL> (341)
http://selleckchem.com/products/actarit.html

>  <CAS Number> (341)
18699-02-0

$$$$
S5043 Benorylate.cdx
csChFnd80/10101813212D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (342)
3897

>  <Formula> (342)
C17H15NO5

>  <MolWeight> (342)
313.3047

>  <Item Name> (342)
Benorylate
Benorylate

>  <Catalog Number> (342)
S5043

>  <Synonyms> (342)
Benorilate, Benoral, Benortan

>  <Target> (342)
Immunology & Inflammation related

>  <Form> (342)
free base

>  <URL> (342)
http://selleckchem.com/products/benorylate.html

>  <CAS Number> (342)
5003-48-5

$$$$
S5058 Revaprazan Hydrochloride.cdx
csChFnd80/10101813212D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0619    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4867    6.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 11  4  1  0  0  0  0
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 16  5  1  0  0  0  0
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 22  6  1  0  0  0  0
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 24  8  1  0  0  0  0
 23  9  1  0  0  0  0
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 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
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 25 12  1  0  0  0  0
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M  END
>  <Mol_ID> (343)
3900

>  <Formula> (343)
C22H24ClFN4

>  <MolWeight> (343)
398.9041632

>  <Item Name> (343)
Revaprazan Hydrochloride

>  <Catalog Number> (343)
S5058

>  <Synonyms> (343)
YH1885

>  <Target> (343)
Proton Pump

>  <URL> (343)
http://selleckchem.com/products/revaprazan-hydrochloride.html

>  <CAS Number> (343)
178307-42-1

$$$$
S5062 Daclatasvir Digydrochloride.cdx
csChFnd80/10101813212D

 56 59  0  0  0  0  0  0  0  0999 V2000
   25.8373    3.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (344)
3901

>  <Formula> (344)
C40H52Cl2N8O6

>  <MolWeight> (344)
811.79688

>  <Item Name> (344)
Daclatasvir Digydrochloride

>  <Catalog Number> (344)
S5062

>  <Synonyms> (344)
N/A

>  <Target> (344)
HCV Protease

>  <Form> (344)
dihydrochloride 

>  <URL> (344)
http://selleckchem.com/products/daclatasvir-digydrochloride.html

>  <CAS Number> (344)
1009119-65-6

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/10101813212D

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  6 10  1  0  0  0  0
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 13 17  2  0  0  0  0
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M  END
>  <Mol_ID> (345)
3918

>  <Formula> (345)
C14H11NOS

>  <MolWeight> (345)
241.30824

>  <Item Name> (345)
2-Acetylphenothiazine (ML171)

>  <Catalog Number> (345)
S5304

>  <Synonyms> (345)
2-APT

>  <Target> (345)
NADPH-oxidase

>  <Form> (345)
free base

>  <URL> (345)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

>  <CAS Number> (345)
6631-94-3

$$$$
S5309 Propyphenazone.cdx
csChFnd80/10101813212D

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    4.2068    2.4611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    2.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0072    3.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145    1.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    3.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0953    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473    3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5689    4.9107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540    1.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076    3.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6954    1.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583    3.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (346)
3920

>  <Formula> (346)
C14H18N2O

>  <MolWeight> (346)
230.30552

>  <Item Name> (346)
Propyphenazone (4-Isopropylantipyrine)

>  <Catalog Number> (346)
S5309

>  <Synonyms> (346)
Isopropylantipyrine, Isopropyrine

>  <Target> (346)
Others

>  <Form> (346)
free base

>  <URL> (346)
http://selleckchem.com/products/propyphenazone.html

>  <CAS Number> (346)
479-92-5

$$$$
S4837 Ibudilast.cdx
csChFnd80/10101813212D

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    3.7716    2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5906    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1928    3.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784    0.2933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4904    4.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3570    5.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6904    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9388    5.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3634    3.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100    0.6909    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
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5  7  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
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 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (347)
3926

>  <Formula> (347)
C14H18N2O

>  <MolWeight> (347)
230.30552

>  <Item Name> (347)
Ibudilast

>  <Catalog Number> (347)
S4837

>  <Synonyms> (347)
KC-404, AV411, MN166

>  <Target> (347)
PDE

>  <Form> (347)
free base

>  <URL> (347)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (347)
50847-11-5

$$$$
S4862 Squalene.cdx
csChFnd80/10101813212D

 30 29  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 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
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    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
    2.4249    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
    1.2124    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
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  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
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  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (348)
3944

>  <Formula> (348)
C30H50

>  <MolWeight> (348)
410.718

>  <Item Name> (348)
Squalene

>  <Catalog Number> (348)
S4862

>  <Synonyms> (348)
Spinacene, Supraene, trans-Squalene

>  <Target> (348)
Others

>  <Form> (348)
free base

>  <URL> (348)
http://selleckchem.com/products/squalene.html

>  <CAS Number> (348)
 111-02-4

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/10101813212D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (349)
3967

>  <Formula> (349)
C34H30N2O6S

>  <MolWeight> (349)
594.6768

>  <Item Name> (349)
Pyrantel Pamoate 

>  <Catalog Number> (349)
S2501

>  <Synonyms> (349)
Pyrantel Embonate

>  <Target> (349)
Anti-infection

>  <Form> (349)
salt

>  <URL> (349)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (349)
22204-24-6

$$$$
S4832 Tolmetin.cdx
csChFnd80/10101813212D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.2409    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1505    5.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.9557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1048    6.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3185    4.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
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  7  9  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 13 16  2  0  0  0  0
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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (350)
3981

>  <Formula> (350)
C15H15NO3

>  <MolWeight> (350)
257.2845

>  <Item Name> (350)
Tolmetin

>  <Catalog Number> (350)
S4832

>  <Synonyms> (350)
Tolectin

>  <Target> (350)
Immunology & Inflammation related

>  <Form> (350)
free base

>  <URL> (350)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (350)
26171-23-3

$$$$
S4835 Aceclofenac.cdx
csChFnd80/10101813212D

 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
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    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
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  6 10  2  0  0  0  0
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 11 15  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (351)
3982

>  <Formula> (351)
C16H13Cl2NO4

>  <MolWeight> (351)
354.18472

>  <Item Name> (351)
Aceclofenac

>  <Catalog Number> (351)
S4835

>  <Synonyms> (351)
Preservex, Airtal

>  <Target> (351)
Immunology & Inflammation related

>  <Form> (351)
free base

>  <URL> (351)
http://selleckchem.com/products/aceclofenac.html

>  <CAS Number> (351)
89796-99-6

$$$$
S4894 D-Glucurone.cdx
csChFnd80/10101813212D

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.9968    1.1327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5966    1.1322    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1637    2.4636    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2961    3.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4289    2.4641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4642    0.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635    2.4631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3314    1.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7603    2.8971    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
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  2  6  1  1  0  0  0
  1  7  1  6  0  0  0
  3  8  1  0  0  0  0
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M  CFW   6 BOND_GSTEREO 4
M  END
>  <Mol_ID> (352)
3998

>  <Formula> (352)
C6H8O6

>  <MolWeight> (352)
176.12412

>  <Item Name> (352)
D-Glucurone

>  <Catalog Number> (352)
S4894

>  <Synonyms> (352)
N/A

>  <Target> (352)
Others

>  <Form> (352)
free base

>  <URL> (352)
http://selleckchem.com/products/d-glucurone.html

>  <CAS Number> (352)
32449-92-6

$$$$
S4962 Agmatine sulfate.cdx
csChFnd80/10101813212D

 14 12  0  0  0  0  0  0  0  0999 V2000
    6.1832    0.9899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1933    1.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1732    1.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1933    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1732    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.7348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (353)
4011

>  <Formula> (353)
C5H16N4O4S

>  <MolWeight> (353)
228.26994

>  <Item Name> (353)
Agmatine sulfate

>  <Catalog Number> (353)
S4962

>  <Synonyms> (353)
N/A

>  <Target> (353)
NOS

>  <URL> (353)
http://selleckchem.com/products/agmatine-sulfate.html

>  <CAS Number> (353)
2482-00-0

$$$$
S4966 4-Methylesculetin.cdx
csChFnd80/10101813212D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  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
  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
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (354)
4015

>  <Formula> (354)
C10H8O4

>  <MolWeight> (354)
192.16812

>  <Item Name> (354)
4-Methylesculetin

>  <Catalog Number> (354)
S4966

>  <Synonyms> (354)
N/A

>  <Target> (354)
Immunology & Inflammation related

>  <Form> (354)
free base

>  <URL> (354)
http://selleckchem.com/products/methylesculetin.html

>  <CAS Number> (354)
529-84-0

$$$$
S5016 Isoprinosine.cdx
csChFnd80/10101813212D

 79 78  0  0  0  0  0  0  0  0999 V2000
    2.8936    5.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    6.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    7.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4620    4.4015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8917    7.9986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0698    6.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1314    3.9678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4638    2.1363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1314    2.5678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6475    7.5674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8975    0.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1474    0.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0128    6.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 24  1  0  0  0  0
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M  END
>  <Mol_ID> (355)
4040

>  <Formula> (355)
C52H78N10O17

>  <MolWeight> (355)
1115.23252

>  <Item Name> (355)
Isoprinosine

>  <Catalog Number> (355)
S5016

>  <Synonyms> (355)
inosine pranobex, Immunovir, Groprinosin, Delimmun

>  <Target> (355)
Anti-infection,Immunology & Inflammation rel

>  <Form> (355)
salt

>  <URL> (355)
http://selleckchem.com/products/isoprinosine.html

>  <CAS Number> (355)
36703-88-5

$$$$
S5044 Isoxepac.cdx
csChFnd80/10101813212D

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    0.0000    2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (356)
4047

>  <Formula> (356)
C16H12O4

>  <MolWeight> (356)
268.26408

>  <Item Name> (356)
Isoxepac

>  <Catalog Number> (356)
S5044

>  <Synonyms> (356)
N/A

>  <Target> (356)
Immunology & Inflammation related

>  <Form> (356)
free base

>  <URL> (356)
http://selleckchem.com/products/isoxepac.html

>  <CAS Number> (356)
55453-87-7

$$$$
S5046 Clonixin.cdx
csChFnd80/10101813212D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (357)
4048

>  <Formula> (357)
C13H11ClN2O2

>  <MolWeight> (357)
262.69164

>  <Item Name> (357)
Clonixin

>  <Catalog Number> (357)
S5046

>  <Synonyms> (357)
Clonixic acid

>  <Target> (357)
Immunology & Inflammation related

>  <Form> (357)
free base

>  <URL> (357)
http://selleckchem.com/products/clonixin.html

>  <CAS Number> (357)
 17737-65-4

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/10101813212D

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 28 24  1  0  0  0  0
 29 24  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (358)
4061

>  <Formula> (358)
C20H20FKN6O5

>  <MolWeight> (358)
482.5067032

>  <Item Name> (358)
Raltegravir potassium

>  <Catalog Number> (358)
S5245

>  <Synonyms> (358)
N/A

>  <Target> (358)
Integrase,HIV Protease

>  <Form> (358)
potassium salt

>  <URL> (358)
http://selleckchem.com/products/raltegravir-potassium.html

>  <CAS Number> (358)
871038-72-1

$$$$
S5307 2'-deoxy-2'-fluoro-2'-C-methyluridine.cdx
csChFnd80/10101813212D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.5635    5.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6268    4.4833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
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 14 15  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (359)
4064

>  <Formula> (359)
C10H13FN2O5

>  <MolWeight> (359)
260.2190232

>  <Item Name> (359)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Catalog Number> (359)
S5307

>  <Synonyms> (359)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Target> (359)
HCV Protease

>  <Form> (359)
free base

>  <URL> (359)
http://selleckchem.com/products/psi-6206-ro-2433-gs-331007.html

>  <CAS Number> (359)
863329-66-2

$$$$
Cu-CPT22.cdx
csChFnd80/10101813212D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8355    7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8355    5.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    4.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    5.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6183    7.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2872    7.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8593    0.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2402    1.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1305    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5113    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
  6 15  1  0  0  0  0
  5 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (360)
4067

>  <Formula> (360)
C19H22O7

>  <MolWeight> (360)
362.37378

>  <Item Name> (360)
Cu-CPT22

>  <Catalog Number> (360)
S8677

>  <Synonyms> (360)
N/A

>  <Target> (360)
TLR

>  <Form> (360)
free base

>  <URL> (360)
http://selleckchem.com/products/cu-cpt22.html

>  <CAS Number> (360)
1416324-85-0

$$$$
S5051 Pipemidic acid.cdx
csChFnd80/10101813212D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    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
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    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
    7.2746    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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    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
  2  6  2  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  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
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 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 15 18  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (361)
4075

>  <Formula> (361)
C14H17N5O3

>  <MolWeight> (361)
303.31648

>  <Item Name> (361)
Pipemidic acid

>  <Catalog Number> (361)
S5051

>  <Synonyms> (361)
Acido pipemidico 

>  <Target> (361)
Anti-infection

>  <Form> (361)
free base

>  <URL> (361)
http://selleckchem.com/products/pipemidic-acid.html

>  <CAS Number> (361)
51940-44-4

$$$$
S5053 Imazalil.cdx
csChFnd80/10101813212D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8476    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0587    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0507    4.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (362)
4076

>  <Formula> (362)
C14H14Cl2N2O

>  <MolWeight> (362)
297.17976

>  <Item Name> (362)
Imazalil

>  <Catalog Number> (362)
S5053

>  <Synonyms> (362)
Enilconazole, chloramizole

>  <Target> (362)
Others

>  <Form> (362)
free base

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

>  <CAS Number> (362)
35554-44-0

$$$$
S4890 Bifendate.cdx
csChFnd80/10101813212D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.8550    7.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    4.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    7.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 30  1  0  0  0  0
M  END
>  <Mol_ID> (363)
4081

>  <Formula> (363)
C20H18O10

>  <MolWeight> (363)
418.35092

>  <Item Name> (363)
Bifendate

>  <Catalog Number> (363)
S4890

>  <Synonyms> (363)
N/A

>  <Target> (363)
Reverse Transcriptase

>  <Form> (363)
free base

>  <URL> (363)
http://selleckchem.com/products/bifendate.html

>  <CAS Number> (363)
73536-69-3

$$$$
S4999 Avermectin B1.cdx
csChFnd80/10101813212D

 65 71  0  0  0  0  0  0  0  0999 V2000
   18.7965    9.5261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.7680    8.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5473   10.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0316    8.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7965   10.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5329    7.4816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3122    9.5684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.2528    9.5261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0316   11.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3122    8.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5046    6.1188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0771   10.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2528   10.9170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.4879    8.8447    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2554    5.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8559    9.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4879   11.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4879    7.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7229    9.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2410    4.0743    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0486    6.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6069   10.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2383    6.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0343    3.4213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.4761    3.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3718    9.5828    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6069   11.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0203    2.0585    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8559    4.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0364    4.6847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4478    2.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8665   10.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3718    8.1912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6069    2.1009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2270    1.3628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6352    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8136    5.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6688    1.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6314   11.2294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6069    7.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1366    7.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6069    6.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6314   12.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3962   10.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3962   13.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1611   11.2294    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1611   12.5922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3962   14.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9121   10.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9121   13.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471   15.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6769   13.9694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6769   15.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558   13.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558   16.0703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2067   13.9694    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2067   15.3605    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4418   17.4336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067   18.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2979   10.9170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6181    4.4435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6371    0.7238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 53 55  1  0  0  0  0
 54 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  1  0  0  0  0
 56 59  1  1  0  0  0
 57 60  1  1  0  0  0
 58 61  1  6  0  0  0
 59 62  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 31 35  1  0  0  0  0
 34 36  1  0  0  0  0
 40 43  2  0  0  0  0
 47 48  1  0  0  0  0
 57 58  1  0  0  0  0
  7 63  1  6  0  0  0
 20 64  1  1  0  0  0
 28 65  1  6  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  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  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  1  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  1  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  6  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  6  0  0  0
 25 31  2  0  0  0  0
 26 32  1  6  0  0  0
 26 33  1  0  0  0  0
 28 34  1  0  0  0  0
 28 35  1  0  0  0  0
 29 36  1  0  0  0  0
 29 37  2  0  0  0  0
 31 38  1  0  0  0  0
 39 32  1  6  0  0  0
 33 40  1  0  0  0  0
 33 41  1  6  0  0  0
 35 42  1  1  0  0  0
 37 43  1  0  0  0  0
 39 44  1  0  0  0  0
 39 45  1  0  0  0  0
 44 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 49  1  1  0  0  0
 47 50  1  1  0  0  0
 48 51  1  6  0  0  0
 49 52  1  0  0  0  0
 53 51  1  6  0  0  0
 53 54  1  0  0  0  0
M  END
>  <Mol_ID> (364)
4082

>  <Formula> (364)
C48H72O14

>  <MolWeight> (364)
873.07688

>  <Item Name> (364)
Avermectin B1

>  <Catalog Number> (364)
S4999

>  <Synonyms> (364)
abamectin

>  <Target> (364)
Anti-infection

>  <URL> (364)
http://selleckchem.com/products/avermectin.html

>  <CAS Number> (364)
71751-41-2

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10101813212D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (365)
4099

>  <Formula> (365)
C10H16N5O8P

>  <MolWeight> (365)
365.236501

>  <Item Name> (365)
Adenosine 5'-monophosphate monohydrate

>  <Catalog Number> (365)
S5284

>  <Synonyms> (365)
5'-Adenylic acid, 5'-AMP

>  <Target> (365)
AMPK

>  <Form> (365)
hydrate 

>  <URL> (365)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

>  <CAS Number> (365)
18422-05-4

$$$$
S5484 Rimantadine Hydrochloride.cdx
csChFnd80/10101813212D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939    0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5663    1.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    1.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037    3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    2.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5832    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3020    4.4776    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5166    5.1811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857    5.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7557    2.6664    0.0000 Cl  0  0  0  0  0  0  0  0  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  6  1  0  0  0  0
  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
  2  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1  2  1  0  0  0  0
 11 13  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
>  <Mol_ID> (366)
4112

>  <Formula> (366)
C12H22ClN

>  <MolWeight> (366)
215.76278

>  <Item Name> (366)
Rimantadine Hydrochloride

>  <Catalog Number> (366)
S5484

>  <Synonyms> (366)
N/A

>  <Target> (366)
DNA/RNA Synthesis

>  <Form> (366)
hydrochloride 

>  <URL> (366)
http://selleckchem.com/products/rimantadine-hydrochloride.html

>  <CAS Number> (366)
1501-84-4

$$$$
S5215 Abacavir.cdx
csChFnd80/10101813212D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.8365    7.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8313    6.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    8.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1696    8.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1612    5.9723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216    5.7174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    9.9144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170    7.8220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9883    7.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5889    4.6392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4106    6.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   10.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    3.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9185    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1981    5.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523   11.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798    2.3738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9130    2.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1421    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
 10  5  1  1  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  1  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (367)
4114

>  <Formula> (367)
C14H18N6O

>  <MolWeight> (367)
286.33232

>  <Item Name> (367)
Abacavir

>  <Catalog Number> (367)
S5215

>  <Synonyms> (367)
N/A

>  <Target> (367)
Reverse Transcriptase

>  <Form> (367)
free base

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

>  <CAS Number> (367)
136470-78-5

$$$$
S5268 Solithromycin.cdx
csChFnd80/10101813212D

 60 64  0  0  0  0  0  0  0  0999 V2000
   18.2756    4.1164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0689    3.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (368)
4121

>  <Formula> (368)
C43H65FN6O10

>  <MolWeight> (368)
845.0088032

>  <Item Name> (368)
Solithromycin

>  <Catalog Number> (368)
S5268

>  <Synonyms> (368)
CEM-101, OP-1068

>  <Target> (368)
Anti-infection

>  <Form> (368)
free base

>  <URL> (368)
http://selleckchem.com/products/solithromycin.html

>  <CAS Number> (368)
760981-83-7

$$$$
S5318 Acacetin.cdx
csChFnd80/10101813212D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (369)
4126

>  <Formula> (369)
C16H12O5

>  <MolWeight> (369)
284.26348

>  <Item Name> (369)
Acacetin

>  <Catalog Number> (369)
S5318

>  <Synonyms> (369)
Linarigenin, 5,7-dihydroxy-4'-methoxyflavone, 4'-Methoxyapigenin

>  <Target> (369)
Immunology & Inflammation related

>  <Form> (369)
free base

>  <URL> (369)
http://selleckchem.com/products/acacetin.html

>  <CAS Number> (369)
480-44-4

$$$$
S5246 Entecavir.cdx
csChFnd80/10101813212D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (370)
4132

>  <Formula> (370)
C12H15N5O3

>  <MolWeight> (370)
277.2792

>  <Item Name> (370)
Entecavir

>  <Catalog Number> (370)
S5246

>  <Synonyms> (370)
N/A

>  <Target> (370)
Reverse Transcriptase

>  <Form> (370)
free base

>  <URL> (370)
http://selleckchem.com/products/entecavir.html

>  <CAS Number> (370)
142217-69-4

$$$$
S5250 Darunavir.cdx
csChFnd80/10101813212D

 40 43  0  0  0  0  0  0  0  0999 V2000
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 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
  5  2  1  0  0  0  0
 16  2  1  0  0  0  0
  3  8  1  0  0  0  0
 13  3  1  0  0  0  0
 19  3  2  0  0  0  0
  4  7  1  0  0  0  0
  6  4  1  0  0  0  0
 26  4  1  0  0  0  0
  4 39  1  1  0  0  0
 11  5  1  0  0  0  0
 18  6  1  0  0  0  0
  6 40  1  1  0  0  0
  6  9  1  0  0  0  0
  7 13  1  6  0  0  0
 17  7  1  0  0  0  0
 12  8  1  0  0  0  0
  9 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  2  0  0  0  0
 12 11  1  0  0  0  0
 11 24  1  6  0  0  0
 12 20  1  6  0  0  0
 31 16  1  0  0  0  0
 18 30  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  2  0  0  0  0
 29 22  1  0  0  0  0
 23 29  2  0  0  0  0
 25 23  1  0  0  0  0
 28 23  1  0  0  0  0
 30 26  1  0  0  0  0
 32 27  1  0  0  0  0
 33 27  2  0  0  0  0
 34 31  1  0  0  0  0
 35 31  1  0  0  0  0
 36 32  2  0  0  0  0
 37 33  1  0  0  0  0
 36 38  1  0  0  0  0
 38 37  2  0  0  0  0
M  END
>  <Mol_ID> (371)
4133

>  <Formula> (371)
C27H37N3O7S

>  <MolWeight> (371)
547.66358

>  <Item Name> (371)
Darunavir

>  <Catalog Number> (371)
S5250

>  <Synonyms> (371)
TMC114

>  <Target> (371)
HIV Protease

>  <Form> (371)
free base

>  <URL> (371)
http://selleckchem.com/products/darunavir.html

>  <CAS Number> (371)
206361-99-1

$$$$
S5261 Ufenamate.cdx
csChFnd80/10101813212D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4275    6.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    7.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399    5.4063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    5.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    8.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    8.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399    4.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026    6.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    7.5067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    9.6068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8601    3.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    3.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658    8.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641    1.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4378    1.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781    7.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    1.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4906    8.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7773    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2890    0.5110    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3773    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7030    7.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (372)
4134

>  <Formula> (372)
C18H18F3NO2

>  <MolWeight> (372)
337.3362296

>  <Item Name> (372)
Ufenamate

>  <Catalog Number> (372)
S5261

>  <Synonyms> (372)
Butyl flufenamate, Flufenamic acid butyl ester, fenazol

>  <Target> (372)
Immunology & Inflammation related

>  <Form> (372)
free base

>  <URL> (372)
http://selleckchem.com/products/ufenamate.html

>  <CAS Number> (372)
67330-25-0

$$$$
S5291 Sulfisomidin.cdx
csChFnd80/10101813212D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8305    5.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175    4.8997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    6.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045    4.2007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    3.6867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9185    6.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417    5.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2468    6.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6163    2.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4627    7.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6152    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159    0.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  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
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (373)
4141

>  <Formula> (373)
C12H14N4O2S

>  <MolWeight> (373)
278.33016

>  <Item Name> (373)
sulfaisodimidine

>  <Catalog Number> (373)
S5291

>  <Synonyms> (373)
sulfamethin, sulfaisodimidine

>  <Target> (373)
Anti-infection

>  <Form> (373)
free base

>  <URL> (373)
http://selleckchem.com/products/sulfaisodimidine.html

>  <CAS Number> (373)
515-64-0

$$$$
S5295 Lincomycin Hydrochloride Monohydrate.cdx
csChFnd80/10101813212D

 29 28  0  0  0  0  0  0  0  0999 V2000
    8.8806    4.2899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6526    4.9716    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0885    4.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8604    2.9067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4498    4.2899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677    6.3748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2962    4.2650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0732    2.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6426    2.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    4.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8906    7.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649    7.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2811    2.8867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5290    4.9465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0431    0.8018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595    4.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2923    6.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4990    2.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5139    6.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9341    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    4.9064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    2.6663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8694    3.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9795    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863    1.2831    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
   16.5142    2.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5871    4.7065    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  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  6  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  1  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  0  0  0  0
  7 14  1  6  0  0  0
  8 15  1  1  0  0  0
  8 13  1  0  0  0  0
 16 10  1  6  0  0  0
 10 17  2  0  0  0  0
 13 18  1  6  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  1  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (374)
4145

>  <Formula> (374)
C18H37ClN2O7S

>  <MolWeight> (374)
461.01358

>  <Item Name> (374)
Lincomycin Hydrochloride Monohydrate

>  <Catalog Number> (374)
S5295

>  <Synonyms> (374)
N/A

>  <Target> (374)
Anti-infection

>  <Form> (374)
hydrochloride, hydrate

>  <URL> (374)
http://selleckchem.com/products/lincomycin-hydrochloride-monohydrate.html

>  <CAS Number> (374)
7179-49-9

$$$$
S5298 Amoxicillin trihydrate.cdx
csChFnd80/10101813212D

 29 28  0  0  0  0  0  0  0  0999 V2000
   17.2020    7.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1920    6.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7536    4.7729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5718    3.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6081    2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6162    4.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7439    2.5076    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4144    2.9461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1883    1.5644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0089    2.9576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0189    1.9676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6658    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6759    1.3523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0382    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3236    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9612    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6090    3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6190    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667    2.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9813    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3336    0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3124    3.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4205    4.3461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0258    4.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0359    5.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5626    6.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   29.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   29.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   19.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 15 21  2  0  0  0  0
 12 22  2  0  0  0  0
  3 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 24  1  0  0  0  0
 24 25  2  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (375)
4148

>  <Formula> (375)
C16H25N3O8S

>  <MolWeight> (375)
419.45

>  <Item Name> (375)
Amoxicillin trihydrate

>  <Catalog Number> (375)
S5298

>  <Synonyms> (375)
Amoxil trihydrate, Amoxipen trihydrate, Moxaline trihydrate 

>  <Target> (375)
Anti-infection

>  <Form> (375)
trihydrate

>  <URL> (375)
http://selleckchem.com/products/amoxicillin-trihydrate.html

>  <CAS Number> (375)
61336-70-7

$$$$
S5479 Cloperastine hydrochloride.cdx
csChFnd80/10101813212D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.6526    2.8106    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8649    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    2.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6526    4.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    2.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2313    2.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    0.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5295    8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5455    3.3321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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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  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
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 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 17 19  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (376)
4173

>  <Formula> (376)
C20H25Cl2NO

>  <MolWeight> (376)
366.3246

>  <Item Name> (376)
Cloperastine hydrochloride

>  <Catalog Number> (376)
S5479

>  <Synonyms> (376)
HT-11 hydrochloride

>  <Target> (376)
Histamine Receptor

>  <Form> (376)
hydrochloride 

>  <URL> (376)
http://selleckchem.com/products/cloperastine-hydrochloride.html

>  <CAS Number> (376)
14984-68-0

$$$$
S5492 Econazole.cdx
csChFnd80/10101813212D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4866    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0023    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (377)
4175

>  <Formula> (377)
C18H15Cl3N2O

>  <MolWeight> (377)
381.6835

>  <Item Name> (377)
Econazole

>  <Catalog Number> (377)
S5492

>  <Synonyms> (377)
N/A

>  <Target> (377)
Anti-infection

>  <Form> (377)
free base

>  <URL> (377)
http://selleckchem.com/products/econazole.html

>  <CAS Number> (377)
27220-47-9

$$$$
S5520 Phenidone.cdx
csChFnd80/10101813212D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.2221    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600    5.0190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948    5.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4297    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0048    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5320    6.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588    7.4817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (378)
4182

>  <Formula> (378)
C9H10N2O

>  <MolWeight> (378)
162.1885

>  <Item Name> (378)
Phenidone

>  <Catalog Number> (378)
S5520

>  <Synonyms> (378)
1-phenyl-3-pyrazolidinone

>  <Target> (378)
COX,Lipoxygenase

>  <Form> (378)
free base

>  <URL> (378)
http://selleckchem.com/products/phenidone.html

>  <CAS Number> (378)
92-43-3

$$$$
ISO-1.cdx
csChFnd80/10101813212D

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.0776    0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4776    0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1776    1.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4776    2.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0776    2.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3776    1.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9776    1.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    2.9090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8232    2.4764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8232    1.0764    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1547    0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2652    2.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5776    1.7764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3 17  1  0  0  0  0
M  END
>  <Mol_ID> (379)
4191

>  <Formula> (379)
C12H13NO4

>  <MolWeight> (379)
235.23592

>  <Item Name> (379)
ISO-1

>  <Catalog Number> (379)
S7732

>  <Synonyms> (379)
N/A

>  <Target> (379)
Immunology & Inflammation related

>  <Form> (379)
free base

>  <URL> (379)
http://selleckchem.com/products/iso-1.html

>  <CAS Number> (379)
478336-92-4

$$$$
S3969 Veratric acid.cdx
csChFnd80/10101813212D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4262    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    2.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0009    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    2.7991    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
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  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (380)
4200

>  <Formula> (380)
C9H10O4

>  <MolWeight> (380)
182.1733

>  <Item Name> (380)
Veratric acid

>  <Catalog Number> (380)
S3969

>  <Synonyms> (380)
3,4-Dimethoxybenzoic acid

>  <Target> (380)
Immunology & Inflammation related

>  <Form> (380)
free base

>  <URL> (380)
http://selleckchem.com/products/veratric-acid.html

>  <CAS Number> (380)
93-07-2

$$$$
S3971 Fusidine.cdx
csChFnd80/10101813212D

 40 43  0  0  0  0  0  0  0  0999 V2000
    6.1524    3.5219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.6948    3.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3952    2.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    3.5031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    5.6124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9344    1.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    6.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 40  1  6  0  0  0
 16 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  6  0  0  0
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 23 28  1  0  0  0  0
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 25 31  1  0  0  0  0
 25 32  2  0  0  0  0
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 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (381)
4202

>  <Formula> (381)
C31H48O6

>  <MolWeight> (381)
516.70922

>  <Item Name> (381)
Fusidine

>  <Catalog Number> (381)
S3971

>  <Synonyms> (381)
Fusidic Acid

>  <Target> (381)
Anti-infection

>  <Form> (381)
free base

>  <URL> (381)
http://selleckchem.com/products/fusidine.html

>  <CAS Number> (381)
6990-06-3

$$$$
S4833 Cefoxitin sodium.cdx
csChFnd80/10101813212D

 30 31  0  0  0  0  0  0  0  0999 V2000
    8.6520    4.7120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2522    4.7335    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6736    6.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0519    4.6904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6305    3.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    6.1334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    4.0523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6787    7.0864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    3.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4074    2.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    6.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8276    4.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1329    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0145    2.2658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    6.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0938    8.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8142    2.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    6.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    8.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    8.9330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.2041    2.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2251    0.9527    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    6.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4741    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2510    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    6.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2446    8.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5937    3.3758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5900    8.9827    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  1  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 29  1  6  0  0  0
  3  8  2  0  0  0  0
  3  6  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
  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 15  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (382)
4205

>  <Formula> (382)
C16H16N3NaO7S2

>  <MolWeight> (382)
449.43391

>  <Item Name> (382)
Cefoxitin sodium

>  <Catalog Number> (382)
S4833

>  <Synonyms> (382)
N/A

>  <Target> (382)
Anti-infection

>  <Form> (382)
sodium salt

>  <URL> (382)
http://selleckchem.com/products/cefoxitin-sodium.html

>  <CAS Number> (382)
33564-30-6

$$$$
S4955 Acetosyringone.cdx
csChFnd80/10101813212D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4434    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    2.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    0.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217    4.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0186    2.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6466    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    4.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (383)
4212

>  <Formula> (383)
C10H12O4

>  <MolWeight> (383)
196.19988

>  <Item Name> (383)
Acetosyringone

>  <Catalog Number> (383)
S4955

>  <Synonyms> (383)
Acetosyringenin

>  <Target> (383)
Others

>  <Form> (383)
free base

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

>  <CAS Number> (383)
2478-38-8

$$$$
S5322 Sodium gualenate.cdx
csChFnd80/10101813212D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.5728    5.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    5.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2666    5.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4159    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536    2.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8380    5.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    7.2576    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    4.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278    6.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2509    2.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677    2.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0961    7.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    7.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    8.6576    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8775    3.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064    8.7146    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5  7  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (384)
4224

>  <Formula> (384)
C15H17NaO3S

>  <MolWeight> (384)
300.34845

>  <Item Name> (384)
Sodium gualenate

>  <Catalog Number> (384)
S5322

>  <Synonyms> (384)
Guaiazulenesulfonate sodium

>  <Target> (384)
Immunology & Inflammation related

>  <Form> (384)
sodium salt

>  <URL> (384)
http://selleckchem.com/products/sodium-gualenate.html

>  <CAS Number> (384)
6223-35-4

$$$$
S5213 Piroctone Olamine.cdx
csChFnd80/10101813212D

 21 20  0  0  0  0  0  0  0  0999 V2000
    6.0623    3.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5020    3.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    1.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.3462    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2915    5.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5008    4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7144    2.6477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    4.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    4.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9678    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1802    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3927    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (385)
4234

>  <Formula> (385)
C16H30N2O3

>  <MolWeight> (385)
298.421

>  <Item Name> (385)
Piroctone Olamine

>  <Catalog Number> (385)
S5213

>  <Synonyms> (385)
piroctone ethanolamine

>  <Target> (385)
Anti-infection

>  <URL> (385)
http://selleckchem.com/products/piroctone-olamine.html

>  <CAS Number> (385)
68890-66-4

$$$$
S5409 Chelidamic acid hydrate.cdx
csChFnd80/10101813212D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.4244    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    1.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    1.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    2.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    3.3745    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  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  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
A   14
xH2O
M  END
>  <Mol_ID> (386)
4268

>  <Formula> (386)
C7H5NO5R

>  <MolWeight> (386)
183.1183

>  <Item Name> (386)
Chelidamic acid hydrate

>  <Catalog Number> (386)
S5409

>  <Synonyms> (386)
N/A

>  <Target> (386)
Others

>  <Form> (386)
hydrate

>  <URL> (386)
http://selleckchem.com/products/chelidamic-acid-hydrate.html

>  <CAS Number> (386)
138-60-3

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/10101813212D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    2.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    1.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    4.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9022    1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (387)
4294

>  <Formula> (387)
C11H12O4

>  <MolWeight> (387)
208.21058

>  <Item Name> (387)
Ferulic acid methyl ester

>  <Catalog Number> (387)
S5451

>  <Synonyms> (387)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (387)
Immunology & Inflammation related

>  <Form> (387)
free base

>  <URL> (387)
http://selleckchem.com/products/ferulic-acid-methylester.html

>  <CAS Number> (387)
2309-07-1

$$$$
S5453 Hyperoside.cdx
csChFnd80/10101813212D

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    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
    4.8497    3.5000    0.0000 O   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
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M  END
>  <Mol_ID> (388)
4296

>  <Formula> (388)
C21H20O12

>  <MolWeight> (388)
464.3763

>  <Item Name> (388)
Hyperoside

>  <Catalog Number> (388)
S5453

>  <Synonyms> (388)
Hyperin, Quercetin 3-galactoside

>  <Target> (388)
Others

>  <Form> (388)
free base

>  <URL> (388)
http://selleckchem.com/products/hyperoside.html

>  <CAS Number> (388)
482-36-0

$$$$
S5457 Curculigoside.cdx
csChFnd80/10101813212D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (389)
4300

>  <Formula> (389)
C22H26O11

>  <MolWeight> (389)
466.43524

>  <Item Name> (389)
Curculigoside

>  <Catalog Number> (389)
S5457

>  <Synonyms> (389)
Curculigoside A

>  <Target> (389)
Immunology & Inflammation related

>  <Form> (389)
free base

>  <URL> (389)
http://selleckchem.com/products/curculigoside.html

>  <CAS Number> (389)
85643-19-2

$$$$
S5458 Verbascoside.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (390)
4301

>  <Formula> (390)
C29H36O15

>  <MolWeight> (390)
624.58714

>  <Item Name> (390)
Verbascoside

>  <Catalog Number> (390)
S5458

>  <Synonyms> (390)
Acteoside, Kusaginin

>  <Target> (390)
Immunology & Inflammation related

>  <Form> (390)
free base

>  <URL> (390)
http://selleckchem.com/products/verbascoside.html

>  <CAS Number> (390)
61276-17-3

$$$$
S5463 Curcurbitacin IIA.cdx
csChFnd80/10101813212D

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   17.1051    7.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9949    5.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0538    5.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6436    4.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 12  1  1  0  0  0  0
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 10  2  1  0  0  0  0
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 17  5  1  0  0  0  0
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 15  6  1  0  0  0  0
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 11  7  1  0  0  0  0
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 13  7  1  0  0  0  0
 21  8  2  0  0  0  0
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 16  9  1  0  0  0  0
 35  9  1  0  0  0  0
 36  9  1  0  0  0  0
 19 11  1  0  0  0  0
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 37 11  1  0  0  0  0
 13 12  1  0  0  0  0
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 18 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 34  1  1  0  0  0
 25 19  2  0  0  0  0
 26 19  1  0  0  0  0
 20 22  1  0  0  0  0
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 38 20  1  0  0  0  0
 22 23  1  0  0  0  0
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 39 23  1  0  0  0  0
 40 23  1  0  0  0  0
 33 26  1  0  0  0  0
M  END
>  <Mol_ID> (391)
4306

>  <Formula> (391)
C32H50O8

>  <MolWeight> (391)
562.7346

>  <Item Name> (391)
Curcurbitacin IIA

>  <Catalog Number> (391)
S5463

>  <Synonyms> (391)
Hemslecin A, Dihydrocucurbitacin Q1

>  <Target> (391)
Immunology & Inflammation related

>  <Form> (391)
free base

>  <URL> (391)
http://selleckchem.com/products/curcurbitacin-iia.html

>  <CAS Number> (391)
58546-34-2

$$$$
S5465 Morroniside.cdx
csChFnd80/10101813212D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  1  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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    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    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  1  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.7000    0.0000 C   0  0  1  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
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  5 11  2  0  0  0  0
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  6 13  1  0  0  0  0
 14  7  1  1  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  1  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  6  0  0  0
 21 24  1  0  0  0  0
 21 25  1  1  0  0  0
 22 26  1  1  0  0  0
 22 24  1  0  0  0  0
 24 27  1  6  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (392)
4308

>  <Formula> (392)
C17H26O11

>  <MolWeight> (392)
406.38174

>  <Item Name> (392)
Morroniside

>  <Catalog Number> (392)
S5465

>  <Synonyms> (392)
N/A

>  <Target> (392)
Others

>  <Form> (392)
free base

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

>  <CAS Number> (392)
25406-64-8

$$$$
S5471 Monotropein.cdx
csChFnd80/10101813212D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.0831    4.1792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0831    2.7787    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8781    4.8749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.9076    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6657    8.3794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  1  0  0  0
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  2  6  1  0  0  0  0
  2 29  1  1  0  0  0
  3  7  1  1  0  0  0
  3  8  1  0  0  0  0
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  4 10  1  1  0  0  0
  4 11  1  6  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6  9  2  0  0  0  0
 14  7  1  1  0  0  0
  8 12  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 24  1  1  0  0  0
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 21 23  1  0  0  0  0
 23 26  1  6  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (393)
4312

>  <Formula> (393)
C16H22O11

>  <MolWeight> (393)
390.33928

>  <Item Name> (393)
Monotropein

>  <Catalog Number> (393)
S5471

>  <Synonyms> (393)
N/A

>  <Target> (393)
Immunology & Inflammation related

>  <Form> (393)
free base

>  <URL> (393)
http://selleckchem.com/products/monotropein.html

>  <CAS Number> (393)
5945-50-6

$$$$
S5486 Fluorometholone.cdx
csChFnd80/10101813212D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6512    3.5034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8681    4.2068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2951    5.6068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6512    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    3.5034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2951    4.2068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.3836    7.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  9  1  1  0  0  0  0
  1 23  1  1  0  0  0
  5  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 19  1  6  0  0  0
  3 10  1  0  0  0  0
  6  3  1  0  0  0  0
  3 24  1  1  0  0  0
  7  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
  7  5  1  0  0  0  0
  5 29  1  1  0  0  0
  5 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  1  6  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
  7 28  1  6  0  0  0
 10  8  1  0  0  0  0
  8 25  1  1  0  0  0
 16  9  2  0  0  0  0
 11 13  1  0  0  0  0
 18 12  1  0  0  0  0
 13 26  1  6  0  0  0
 14 15  1  0  0  0  0
 18 16  1  0  0  0  0
 20 17  2  0  0  0  0
 27 17  1  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (394)
4317

>  <Formula> (394)
C22H29FO4

>  <MolWeight> (394)
376.4616632

>  <Item Name> (394)
Fluorometholone

>  <Catalog Number> (394)
S5486

>  <Synonyms> (394)
Oxylone

>  <Target> (394)
Glucocorticoid Receptor

>  <Form> (394)
free base

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

>  <CAS Number> (394)
426-13-1

$$$$
S5517 N-Phenylanthranilic acid.cdx
csChFnd80/10101813212D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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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    0.0000    4.9000    0.0000 O   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
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    7.2746    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
  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  2  0  0  0  0
  6 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  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (395)
4326

>  <Formula> (395)
C13H11NO2

>  <MolWeight> (395)
213.23194

>  <Item Name> (395)
Fenamic acid

>  <Catalog Number> (395)
S5517

>  <Synonyms> (395)
N-Phenylanthranilic acid, 2-(Phenylamino)benzoic acid, 2-Anilinobenzoic acid, Diphenylamine-2-carboxy

>  <Target> (395)
Immunology & Inflammation related

>  <Form> (395)
free base

>  <URL> (395)
http://selleckchem.com/products/fenamic-acid.html

>  <CAS Number> (395)
91-40-7

$$$$
S5541 Dimetridazole.cdx
csChFnd80/10101813212D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4276    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884    1.5129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716    3.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    1.3968    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6471    2.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9568    0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536    3.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0984    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0372    2.3704    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
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (396)
4339

>  <Formula> (396)
C5H7N3O2

>  <MolWeight> (396)
141.12798

>  <Item Name> (396)
Dimetridazole

>  <Catalog Number> (396)
S5541

>  <Synonyms> (396)
N/A

>  <Target> (396)
Anti-infection

>  <Form> (396)
free base

>  <URL> (396)
http://selleckchem.com/products/dimetridazole.html

>  <CAS Number> (396)
551-92-8

$$$$
S5551 6-Paradol.cdx
csChFnd80/10101813212D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8503    4.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0627    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    4.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000    4.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1249    4.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3374    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5498    4.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7622    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    2.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155    2.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    4.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155    0.7012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    6.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
  1 11  1  0  0  0  0
  3 20  2  0  0  0  0
M  END
>  <Mol_ID> (397)
4345

>  <Formula> (397)
C17H26O3

>  <MolWeight> (397)
278.38654

>  <Item Name> (397)
6-Paradol

>  <Catalog Number> (397)
S5551

>  <Synonyms> (397)
N/A

>  <Target> (397)
Others

>  <Form> (397)
free base

>  <URL> (397)
http://selleckchem.com/products/6-paradol.html

>  <CAS Number> (397)
27113-22-0

$$$$
S5553 Kasugamycin hydrochloride.cdx
csChFnd80/10101813212D

 27 27  0  0  0  0  0  0  0  0999 V2000
    9.6927    2.4320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4808    1.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    1.7279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6927    3.8349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2689    2.4320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1356    2.4343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9121    0.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    4.5390    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4847    4.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    1.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2689    3.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    3.8310    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3447    1.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    5.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    2.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    0.3388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0560    4.5416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3384    4.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    3.8514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0560    5.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    3.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    2.4475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661    0.0000    0.0000 Cl  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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  8 14  1  1  0  0  0
  8 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  1  0  0  0
 11 17  1  0  0  0  0
 12 18  1  6  0  0  0
 15 19  1  0  0  0  0
 17 20  1  1  0  0  0
 17 19  1  0  0  0  0
 19 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  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (398)
4347

>  <Formula> (398)
C14H26ClN3O9

>  <MolWeight> (398)
415.82394

>  <Item Name> (398)
Kasugamycin hydrochloride

>  <Catalog Number> (398)
S5553

>  <Synonyms> (398)
N/A

>  <Target> (398)
Anti-infection

>  <Form> (398)
hydrochloride 

>  <URL> (398)
http://selleckchem.com/products/kasugamycin-hydrochloride.html

>  <CAS Number> (398)
19408-46-9

$$$$
S5557 Aklomide.cdx
csChFnd80/10101813212D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2262    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    2.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2301    0.7034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4327    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    0.0068    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2183    4.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    4.9102    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    6.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (399)
4351

>  <Formula> (399)
C7H5ClN2O3

>  <MolWeight> (399)
200.5792

>  <Item Name> (399)
Aklomide

>  <Catalog Number> (399)
S5557

>  <Synonyms> (399)
2-Chloro-4-nitrobenzamide

>  <Target> (399)
Anti-infection

>  <Form> (399)
free base

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

>  <CAS Number> (399)
3011-89-0

$$$$
S5579 Chelidonic acid.cdx
csChFnd80/10101813212D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    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
    3.6373    5.6000    0.0000 O   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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (400)
4365

>  <Formula> (400)
C7H4O6

>  <MolWeight> (400)
184.10306

>  <Item Name> (400)
Chelidonic acid

>  <Catalog Number> (400)
S5579

>  <Synonyms> (400)
Jerva acid, Jervaic acid, ¦Ã-Pyrone-2,6-dicarboxylic acid

>  <Target> (400)
Immunology & Inflammation related

>  <Form> (400)
free base

>  <URL> (400)
http://selleckchem.com/products/chelidonic-acid.html

>  <CAS Number> (400)
99-32-1

$$$$
Isotretinoin.cdx
csChFnd80/10101813212D

 22 22  0  0  0  0  0  0  0  0999 V2000
   12.1461    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1457    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9294    2.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7080    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9376    0.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    2.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2845    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    2.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312    2.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3624    0.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9291    4.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    4.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4066    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1133    3.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3163    3.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  1  2  0  0  0  0
  4  6  2  0  0  0  0
  6  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 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (401)
4397

>  <Formula> (401)
C20H28O2

>  <MolWeight> (401)
300.43512

>  <Item Name> (401)
Isotretinoin 

>  <Catalog Number> (401)
S1379 

>  <Synonyms> (401)
13-cis retinoic acid

>  <Target> (401)
hydroxylase

>  <Form> (401)
free base

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

>  <CAS Number> (401)
4759-48-2

$$$$
S3966 Nifuratel.cdx
csChFnd80/10101813212D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.2599    1.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1874    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9737    2.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8675    1.0063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4731    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3378    2.0692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4136    3.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0446    2.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6855    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6523    1.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8997    0.7010    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7188    3.0203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572    0.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1079    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5798    1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    3.1480    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (402)
4405

>  <Formula> (402)
C10H11N3O5S

>  <MolWeight> (402)
285.27644

>  <Item Name> (402)
Nifuratel

>  <Catalog Number> (402)
S3966

>  <Synonyms> (402)
N/A

>  <Target> (402)
Antibacterial

>  <Form> (402)
free base

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

>  <CAS Number> (402)
4936-47-4

$$$$
S4998 2-Aminobenzenesulfonamide.cdx
csChFnd80/10101813212D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4306    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0123    0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (403)
4408

>  <Formula> (403)
C6H8N2O2S

>  <MolWeight> (403)
172.20492

>  <Item Name> (403)
2-Aminobenzenesulfonamide

>  <Catalog Number> (403)
S4998

>  <Synonyms> (403)
Orthanilamide

>  <Target> (403)
DHPS

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

>  <CAS Number> (403)
3306-62-5

$$$$
S5351 Cefmetazole sodium.cdx
csChFnd80/10101813212D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.7133    4.4389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1181    4.4389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7133    3.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209    4.7549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8353    5.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1181    3.0340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3348    5.1413    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7233    2.0441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    3.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6885    6.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3348    2.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5513    4.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3356    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7096    0.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4121    1.8613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 27 30  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (404)
4421

>  <Formula> (404)
C15H16N7NaO5S3

>  <MolWeight> (404)
493.51621

>  <Item Name> (404)
Cefmetazole sodium

>  <Catalog Number> (404)
S5351

>  <Synonyms> (404)
Sodium cefmetazole

>  <Target> (404)
others

>  <Form> (404)
sodium salt

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

>  <CAS Number> (404)
56796-39-5

$$$$
S5360 Diflorasone.cdx
csChFnd80/10101813212D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.1213    3.5071    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8527    4.2274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2178    4.1821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1213    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929    3.5388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8527    5.6231    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2178    5.5912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5181    3.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6929    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (405)
4427

>  <Formula> (405)
C22H28F2O5

>  <MolWeight> (405)
410.4515264

>  <Item Name> (405)
Diflorasone

>  <Catalog Number> (405)
S5360

>  <Synonyms> (405)
N/A

>  <Target> (405)
Glucocorticoid receptor

>  <Form> (405)
free base

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

>  <CAS Number> (405)
2557-49-5

$$$$
S5412 Loxoprofen sodium.cdx
csChFnd80/10101813212D

 19 19  0  0  0  0  0  0  0  0999 V2000
    8.2583    3.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4707    4.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0368    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2583    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6825    3.4891    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8264    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0483    1.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    2.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9639    4.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8264    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    1.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (406)
4436

>  <Formula> (406)
C15H17NaO3

>  <MolWeight> (406)
268.28345

>  <Item Name> (406)
Loxoprofen sodium

>  <Catalog Number> (406)
S5412

>  <Synonyms> (406)
N/A

>  <Target> (406)
Immunology

>  <Form> (406)
sodium salt 

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

>  <CAS Number> (406)
80382-23-6

$$$$
S5466 Saikosaponin A.cdx
csChFnd80/10101813212D

 60 67  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (407)
4443

>  <Formula> (407)
C42H68O13

>  <MolWeight> (407)
780.98152

>  <Item Name> (407)
Saikosaponin A

>  <Catalog Number> (407)
S5466

>  <Synonyms> (407)
N/A

>  <Target> (407)
NF-¦ÊB

>  <Form> (407)
free base

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

>  <CAS Number> (407)
20736-09-8

$$$$
S5500 Amodiaquine hydrochloride.cdx
csChFnd80/10101813212D

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M  END
>  <Mol_ID> (408)
4455

>  <Formula> (408)
C20H24Cl3N3O

>  <MolWeight> (408)
428.78306

>  <Item Name> (408)
Amodiaquine hydrochloride

>  <Catalog Number> (408)
S5500

>  <Synonyms> (408)
N/A

>  <Target> (408)
HnMT

>  <Form> (408)
dihydrochloride 

>  <URL> (408)
http://selleckchem.com/products/.html

>  <CAS Number> (408)
69-44-3

$$$$
S5623 Bedaquiline.cdx
csChFnd80/10101813212D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (409)
4465

>  <Formula> (409)
C32H31BrN2O2

>  <MolWeight> (409)
555.50474

>  <Item Name> (409)
Bedaquiline

>  <Catalog Number> (409)
S5623

>  <Synonyms> (409)
TMC207; R207910

>  <Target> (409)
tuberculosis

>  <Form> (409)
free base

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

>  <CAS Number> (409)
843663-66-1

$$$$
S5626 Benzalkonium chloride.cdx
csChFnd80/10101813212D

 18 16  0  0  0  0  0  0  0  0999 V2000
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A   18
2-7
M  END
>  <Mol_ID> (410)
4467

>  <Formula> (410)
C15H26ClNR

>  <MolWeight> (410)
255.82664

>  <Item Name> (410)
Benzalkonium chloride

>  <Catalog Number> (410)
S5626

>  <Synonyms> (410)
N/A

>  <Target> (410)
Immunology & Inflammation related

>  <Form> (410)
free base

>  <URL> (410)
http://selleckchem.com/products/.html

>  <CAS Number> (410)
63449-41-2

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101813212D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (411)
4507

>  <Formula> (411)
C18H21N5O2

>  <MolWeight> (411)
339.39164

>  <Item Name> (411)
Alogliptin£¨SYR-322£©

>  <Catalog Number> (411)
S2868

>  <Synonyms> (411)
N/A

>  <Target> (411)
DPP-4

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/alogliptin-syr-322.html

>  <CAS Number> (411)
850649-61-5

$$$$
Apremilast (CC-10004).cdx
csChFnd80/10101813212D

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>  <Mol_ID> (412)
4509

>  <Formula> (412)
C22H24N2O7S

>  <MolWeight> (412)
460.50016

>  <Item Name> (412)
Apremilast (CC-10004)
Apremilast (CC-10004)

>  <Catalog Number> (412)
S8034

>  <Synonyms> (412)
N/A

>  <Target> (412)
PDE

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/apremilast-cc-10004.html

>  <CAS Number> (412)
608141-41-9

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101813212D

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>  <Mol_ID> (413)
4513

>  <Formula> (413)
C15H14O6

>  <MolWeight> (413)
290.26806

>  <Item Name> (413)
(+)-Catechin

>  <Catalog Number> (413)
S4722

>  <Synonyms> (413)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (413)
Others

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/catechin.html

>  <CAS Number> (413)
154-23-4

$$$$
