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>  <Mol_ID> (1)
1

>  <Formula> (1)
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>  <MolWeight> (1)
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>  <Item Name> (1)
ABT-263 (Navitoclax)

>  <Catalog Number> (1)
S1001

>  <Synonyms> (1)
N/A 

>  <Target> (1)
Bcl-2 

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/ABT-263.html

>  <CAS Number> (1)
923564-51-6

$$$$

csChFnd80/02221609172D

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>  <Mol_ID> (2)
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>  <Formula> (2)
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>  <MolWeight> (2)
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>  <Item Name> (2)
ABT-737

>  <Catalog Number> (2)
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>  <Synonyms> (2)
N/A

>  <Target> (2)
Bcl-2 

>  <Form> (2)
Free Base

>  <URL> (2)
http://www.selleckchem.com/products/ABT-737.html

>  <CAS Number> (2)
852808-04-9

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C21H18FN5O

>  <MolWeight> (3)
375.3989232

>  <Item Name> (3)
Linifanib (ABT-869)

>  <Catalog Number> (3)
S1003

>  <Synonyms> (3)
AL-39324

>  <Target> (3)
PDGFR, VEGFR

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/ABT-869.html

>  <CAS Number> (3)
796967-16-3

$$$$
ABT-888(Veliparib).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (4)
4

>  <Formula> (4)
C13H16N4O

>  <MolWeight> (4)
244.29234

>  <Item Name> (4)
ABT-888 (Veliparib)

>  <Catalog Number> (4)
S1004

>  <Synonyms> (4)
N/A 

>  <Target> (4)
PARP 

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/ABT-888.html

>  <CAS Number> (4)
912444-00-9

$$$$
untitled.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C22H18N4OS

>  <MolWeight> (5)
386.46952

>  <Item Name> (5)
Axitinib

>  <Catalog Number> (5)
S1005

>  <Synonyms> (5)
AG 013736

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

>  <Form> (5)
Free Base

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

>  <CAS Number> (5)
319460-85-0

$$$$
untitled.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (6)
6

>  <Formula> (6)
C27H32ClN5O5

>  <MolWeight> (6)
542.02648

>  <Item Name> (6)
Saracatinib (AZD0530)

>  <Catalog Number> (6)
S1006

>  <Synonyms> (6)
N/A 

>  <Target> (6)
Src, Bcr-Abl

>  <Form> (6)
Free Base

>  <URL> (6)
http://www.selleckchem.com/products/AZD0530.html

>  <CAS Number> (6)
379231-04-6

$$$$
azd6244.cdx
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ARRY-142886 

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MEK

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Free Base

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http://www.selleckchem.com/products/AZD6244.html

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606143-52-6

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N/A 

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VEGFR, PDGFR, FGFR

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Free Base

>  <URL> (8)
http://www.selleckchem.com/products/BIBF1120.html

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656247-17-5

$$$$
untitled.cdx
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Bortezomib (Velcade)

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>  <Synonyms> (9)
MG-341, PS-341

>  <Target> (9)
Proteasome

>  <Form> (9)
Free Base

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

>  <CAS Number> (9)
179324-69-7

$$$$
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>  <Target> (10)
Src

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Free Base

>  <URL> (10)
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>  <CAS Number> (10)
380843-75-4

$$$$
untitled.cdx
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Cediranib (AZD2171)

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Recentin 

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VEGFR, Flt

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Free Base

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

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288383-20-0

$$$$
CI1040.cdx
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>  <Mol_ID> (12)
14

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CI-1040 (PD184352)

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S1020

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N/A 

>  <Target> (12)
MEK 

>  <Form> (12)
Free Base

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http://www.selleckchem.com/products/CI-1040-(PD184352).html

>  <CAS Number> (12)
212631-79-3

$$$$
Dasatinib.cdx
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Dasatinib (BMS-354825)

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Sprycel 

>  <Target> (13)
Src, Bcr-Abl, c-Kit

>  <Form> (13)
Free Base

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

>  <CAS Number> (13)
302962-49-8

$$$$

csChFnd80/02221609172D

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18

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Dovitinib (TKI-258)

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CHIR-258 

>  <Target> (14)
c-Kit, FGFR, Flt, VEGFR, PDGFR 

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>  <URL> (14)
http://www.selleckchem.com/products/CHIR-258.html

>  <CAS Number> (14)
405169-16-6

$$$$
untitled.cdx
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>  <Mol_ID> (15)
19

>  <Formula> (15)
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>  <MolWeight> (15)
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>  <Item Name> (15)
Gefitinib (Iressa)

>  <Catalog Number> (15)
S1025

>  <Synonyms> (15)
ZD-1839

>  <Target> (15)
EGFR

>  <Form> (15)
Free Base

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

>  <CAS Number> (15)
184475-35-2

$$$$
Imatinib Mesylate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (16)
20

>  <Formula> (16)
C30H35N7O4S

>  <MolWeight> (16)
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>  <Item Name> (16)
Imatinib Mesylate

>  <Catalog Number> (16)
S1026

>  <Synonyms> (16)
Glivec, CGP-57148B, STI-571 

>  <Target> (16)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (16)
Mesylate

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

>  <CAS Number> (16)
220127-57-1

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (17)
21

>  <Formula> (17)
C43H42ClFN4O10S3

>  <MolWeight> (17)
925.4607832

>  <Item Name> (17)
Lapatinib Ditosylate (Tykerb)

>  <Catalog Number> (17)
S1028

>  <Synonyms> (17)
GW-57201

>  <Target> (17)
EGFR, HER2

>  <Form> (17)
Ditosylat

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

>  <CAS Number> (17)
388082-77-7

$$$$
untitled.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (18)
22

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CC-5013

>  <Target> (18)
TNF-alpha

>  <Form> (18)
Free Base

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

>  <CAS Number> (18)
191732-72-6

$$$$
untitled.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (19)
23

>  <Formula> (19)
C21H23N3O2

>  <MolWeight> (19)
349.42622

>  <Item Name> (19)
Panobinostat 

>  <Catalog Number> (19)
S1030

>  <Synonyms> (19)
N/A 

>  <Target> (19)
HDAC 

>  <Form> (19)
Free Base

>  <URL> (19)
http://www.selleckchem.com/products/LBH-589.html

>  <CAS Number> (19)
404950-80-7

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (20)
24

>  <Formula> (20)
C22H29N5O9P2

>  <MolWeight> (20)
569.441282

>  <Item Name> (20)
Motesanib Diphosphate

>  <Catalog Number> (20)
S1032

>  <Synonyms> (20)
AMG-706

>  <Target> (20)
VEGFR, PDGFR, c-Kit

>  <Form> (20)
Diphosphate

>  <URL> (20)
http://www.selleckchem.com/products/Motesanib-Diphosphate.html

>  <CAS Number> (20)
857876-30-3

$$$$
untitled.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (21)
25

>  <Formula> (21)
C28H22F3N7O

>  <MolWeight> (21)
529.5157896

>  <Item Name> (21)
Nilotinib (AMN-107)

>  <Catalog Number> (21)
S1033

>  <Synonyms> (21)
Tasigna 

>  <Target> (21)
Bcr-Abl

>  <Form> (21)
Free Base

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

>  <CAS Number> (21)
641571-10-0

$$$$
untitled.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (22)
27

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MEK 

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Free Base

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http://www.selleckchem.com/products/PD-0325901.html

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391210-10-9

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DNA-PK, PI3K, mTOR

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371935-74-9

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475473-26-8

$$$$
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mTOR 

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53123-88-9

$$$$

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M  END
>  <Mol_ID> (27)
33

>  <Formula> (27)
C28H24ClF3N4O6S

>  <MolWeight> (27)
637.0265696

>  <Item Name> (27)
Sorafenib (Nexavar)

>  <Catalog Number> (27)
S1040

>  <Synonyms> (27)
Bay 43-9006 

>  <Target> (27)
VEGFR, PDGFR, Raf

>  <Form> (27)
Tosylate

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

>  <CAS Number> (27)
475207-59-1

$$$$

csChFnd80/02221609172D

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M  END
>  <Mol_ID> (28)
35

>  <Formula> (28)
C26H33FN4O7

>  <MolWeight> (28)
532.5612232

>  <Item Name> (28)
Sunitinib Malate (Sutent)

>  <Catalog Number> (28)
S1042

>  <Synonyms> (28)
SU-11248 

>  <Target> (28)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (28)
Malate

>  <URL> (28)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

>  <CAS Number> (28)
341031-54-7

$$$$
Trichostatin A.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (29)
37

>  <Formula> (29)
C17H22N2O3

>  <MolWeight> (29)
302.36818

>  <Item Name> (29)
Trichostatin A (TSA)

>  <Catalog Number> (29)
S1045

>  <Synonyms> (29)
TSA

>  <Target> (29)
HDAC 

>  <Form> (29)
Free Base

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

>  <CAS Number> (29)
58880-19-6

$$$$
untitled.cdx
csChFnd80/02221609172D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (30)
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VEGFR

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$$$$
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HDAC

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http://www.selleckchem.com/products/Vorinostat-(SAHA).html

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149647-78-9

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N/A 

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Aurora Kinase

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639089-54-6

$$$$
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ROCK

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129830-38-2

$$$$
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HSP

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$$$$
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PKC 

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Free Base

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Bcl-2 

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Mesylate

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http://www.selleckchem.com/products/Obatoclax-Mesylate.html

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803712-79-0

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PARP 

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Mdm2

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Free Base

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http://www.selleckchem.com/products/Nutlin-3.html

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548472-68-0

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c-Kit, PDGFR, FGFR, FAK

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Free Base

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http://www.selleckchem.com/products/Masitinib-(AB1010).html

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790299-79-5

$$$$
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49

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N/A

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PI3K 

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>  <URL> (41)
http://www.selleckchem.com/products/GDC-0941.html

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957054-30-7

$$$$
untitled.cdx
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TGF-beta/Smad

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>  <URL> (42)
http://www.selleckchem.com/products/SB-431542.html

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301836-41-9

$$$$
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280744-09-4

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p38 MAPK 

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Free Base

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http://www.selleckchem.com/products/SB-202190.html

>  <CAS Number> (47)
152121-30-7

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N/A

>  <Target> (48)
Akt

>  <Form> (48)
Dihydrochloride

>  <URL> (48)
http://www.selleckchem.com/products/MK-2206.html

>  <CAS Number> (48)
1032350-13-2

$$$$
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C28H30ClN5O4S

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PKI-SU11274

>  <Target> (49)
c-Met 

>  <Form> (49)
Free Base

>  <URL> (49)
http://www.selleckchem.com/products/SU11274.html

>  <CAS Number> (49)
658084-23-2

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N/A 

>  <Target> (50)
Hedgehog, P-gp

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Free Base

>  <URL> (50)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (50)
879085-55-9

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HDAC 

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PARP 

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160003-66-7

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IGF-1R

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>  <URL> (54)
http://www.selleckchem.com/products/NVP-ADW742.html

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475488-23-4

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HDAC 

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>  <Mol_ID> (59)
68

>  <Formula> (59)
C22H25N3O3

>  <MolWeight> (59)
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>  <Item Name> (59)
LAQ824 (NVP-LAQ824, Dacinostat)

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S1095

>  <Synonyms> (59)
N/A 

>  <Target> (59)
HDAC 

>  <Form> (59)
Free Base

>  <URL> (59)
http://www.selleckchem.com/products/LAQ824(NVP-LAQ824).html

>  <CAS Number> (59)
404951-53-7

$$$$

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>  <Mol_ID> (60)
69

>  <Formula> (60)
C19H21FN3O5P

>  <MolWeight> (60)
421.3593042

>  <Item Name> (60)
Rucaparib (AG-014699 , PF-01367338)

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S1098

>  <Synonyms> (60)
AG-014447 

>  <Target> (60)
PARP 

>  <Form> (60)
Phosphate

>  <URL> (60)
http://www.selleckchem.com/products/AG-014699.html

>  <CAS Number> (60)
459868-92-9

$$$$
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>  <Mol_ID> (61)
70

>  <Formula> (61)
C25H15ClF2N4O2

>  <MolWeight> (61)
476.8620064

>  <Item Name> (61)
MLN8054

>  <Catalog Number> (61)
S1100

>  <Synonyms> (61)
N/A

>  <Target> (61)
Aurora Kinase

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/MLN8054.html

>  <CAS Number> (61)
869363-13-3

$$$$
untitled.cdx
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>  <Mol_ID> (62)
71

>  <Formula> (62)
C20H17Cl3N4

>  <MolWeight> (62)
419.73478

>  <Item Name> (62)
Vatalanib dihydrochloride (PTK787)

>  <Catalog Number> (62)
S1101

>  <Synonyms> (62)
ZK222584

>  <Target> (62)
VEGFR, c-Kit, Flt

>  <Form> (62)
Dihydrochloride

>  <URL> (62)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

>  <CAS Number> (62)
212141-51-0

$$$$
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1173097-76-1

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Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

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Free Base

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http://www.selleckchem.com/products/PHA-739358(Danusertib).html

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Free Base

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489415-96-5

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HDAC 

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http://www.selleckchem.com/products/MGCD0103(Mocetinostat).html

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726169-73-9

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Sirtuin

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>  <URL> (80)
http://www.selleckchem.com/products/SRT1720.html

>  <CAS Number> (80)
1001645-58-4

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183319-69-9

$$$$
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PARP 

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3544-24-9

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Aurora Kinase

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1028486-01-2

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VEGFR, c-Met, Flt, Tie-2, c-Kit

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896466-04-9

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M  END
>  <Mol_ID> (87)
99

>  <Formula> (87)
C19H18F3N3O6

>  <MolWeight> (87)
441.3579296

>  <Item Name> (87)
Andarine (GTX-007)

>  <Catalog Number> (87)
S1140

>  <Synonyms> (87)
GTX-007

>  <Target> (87)
Androgen Receptor 

>  <Form> (87)
Free Base

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

>  <CAS Number> (87)
401900-40-1

$$$$
untitled.cdx
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>  <Mol_ID> (88)
100

>  <Formula> (88)
C31H43N3O8

>  <MolWeight> (88)
585.68842

>  <Item Name> (88)
17-AAG (Tanespimycin)

>  <Catalog Number> (88)
S1141

>  <Synonyms> (88)
N/A 

>  <Target> (88)
HSP

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

>  <CAS Number> (88)
75747-14-7

$$$$

csChFnd80/02221609172D

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>  <Mol_ID> (89)
101

>  <Formula> (89)
C22H24FN5O4

>  <MolWeight> (89)
441.4554632

>  <Item Name> (89)
Brivanib alaninate (BMS-582664)

>  <Catalog Number> (89)
S1138 

>  <Synonyms> (89)
N/A 

>  <Target> (89)
VEGFR, FGFR

>  <Form> (89)
Alaninate

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

>  <CAS Number> (89)
649735-63-7

$$$$
17-DMAG.cdx
csChFnd80/02221609172D

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NSC 707545 

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HSP

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Hydrochloride

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

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467214-21-7

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JAK, EGFR

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133550-30-8 

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CFTR

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873054-44-5

$$$$
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345627-80-7

$$$$
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Aurora Kinase

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722544-51-6

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$$$$
Paclitaxel.cdx
csChFnd80/02221609172D

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$$$$
untitled.cdx
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Raf 

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Free Base

>  <URL> (97)
http://www.selleckchem.com/products/PLX-4720.html

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918505-84-7

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N/A 

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CDK 

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Free Base

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

>  <CAS Number> (98)
186692-46-6 

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>  <Synonyms> (99)
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>  <Target> (99)
Aurora Kinase

>  <Form> (99)
Mesylate

>  <URL> (99)
http://www.selleckchem.com/products/SNS-314.html

>  <CAS Number> (99)
1146618-41-8

$$$$
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STAT

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Free Base

>  <URL> (100)
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>  <CAS Number> (100)
501919-59-1

$$$$
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DNA/RNA Synthesis

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154361-50-9

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Microtubule Associated

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Free Base

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http://www.selleckchem.com/products/ABT-751.html

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141430-65-1

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EGFR, HER2

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http://www.selleckchem.com/products/CP-724714.html

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537705-08-1

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PI3K

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663619-89-4

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1214265-56-1

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VDA

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MEK

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BAY 73-4506

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c-Kit, Raf, VEGFR

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755037-03-7

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M  END
>  <Mol_ID> (115)
130

>  <Formula> (115)
C21H25N7

>  <MolWeight> (115)
375.4701

>  <Item Name> (115)
ENMD-2076

>  <Catalog Number> (115)
S1181

>  <Synonyms> (115)
N/A 

>  <Target> (115)
Flt, Aurora Kinase, VEGFR

>  <Form> (115)
Tartaric Acid 

>  <URL> (115)
http://www.selleckchem.com/products/ENMD-2076.html

>  <CAS Number> (115)
1291074-87-7

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (116)
131

>  <Formula> (116)
C35H46FN5O9S

>  <MolWeight> (116)
731.8312432

>  <Item Name> (116)
Danoprevir

>  <Catalog Number> (116)
S1183

>  <Synonyms> (116)
RG7227, ITMN-191, RO5190591

>  <Target> (116)
Proteasome, HCV Protease

>  <Form> (116)
Free Base

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

>  <CAS Number> (116)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ritonavir.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (117)
132

>  <Formula> (117)
C37H48N6O5S2

>  <MolWeight> (117)
720.94422

>  <Item Name> (117)
Ritonavir

>  <Catalog Number> (117)
S1185

>  <Synonyms> (117)
Norvir, Norvir Softgel

>  <Target> (117)
HIV Protease

>  <Form> (117)
Free Base

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

>  <CAS Number> (117)
155213-67-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (118)
133

>  <Formula> (118)
C19H14F3N3O3

>  <MolWeight> (118)
389.3279696

>  <Item Name> (118)
Ostarine (MK-2866)

>  <Catalog Number> (118)
S1174

>  <Synonyms> (118)
GTx-024, MK-2866

>  <Target> (118)
Androgen Receptor

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
841205-47-8

$$$$
BIBR1532.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (119)
134

>  <Formula> (119)
C21H17NO3

>  <MolWeight> (119)
331.36458

>  <Item Name> (119)
BIBR1532

>  <Catalog Number> (119)
S1186

>  <Synonyms> (119)
N/A

>  <Target> (119)
Telomerase

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/BIBR1532.html

>  <CAS Number> (119)
321674-73-1

$$$$
Anastrozole.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (120)
136

>  <Formula> (120)
C17H19N5

>  <MolWeight> (120)
293.36626

>  <Item Name> (120)
Anastrozole

>  <Catalog Number> (120)
S1188

>  <Synonyms> (120)
Arimidex 

>  <Target> (120)
Aromatase

>  <Form> (120)
Free Base

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

>  <CAS Number> (120)
120511-73-1

$$$$
Aprepitant.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (121)
137

>  <Formula> (121)
C23H21F7N4O3

>  <MolWeight> (121)
534.4266624

>  <Item Name> (121)
Aprepitant (MK-0869)

>  <Catalog Number> (121)
S1189

>  <Synonyms> (121)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (121)
Substance P

>  <Form> (121)
Free Base

>  <URL> (121)
http://www.selleckchem.com/products/Aprepitant.html

>  <CAS Number> (121)
170729-80-3

$$$$
bicalutamide.cdx
csChFnd80/02221609172D

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Bicalutamide (Casodex)

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>  <Synonyms> (122)
N/A 

>  <Target> (122)
Androgen Receptor, P450

>  <Form> (122)
Free Base

>  <URL> (122)
http://www.selleckchem.com/products/Bicalutamide(Casodex).html

>  <CAS Number> (122)
90357-06-5

$$$$
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Fulvestrant (Faslodex)

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S1191

>  <Synonyms> (123)
N/A 

>  <Target> (123)
Estrogen/progestogen Receptor

>  <Form> (123)
Free Base

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

>  <CAS Number> (123)
129453-61-8

$$$$
Raltitrexed.cdx
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140

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>  <Item Name> (124)
Raltitrexed (Tomudex)

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S1192 

>  <Synonyms> (124)
N/A 

>  <Target> (124)
DNA/RNA Synthesis

>  <Form> (124)
Free Base

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

>  <CAS Number> (124)
112887-68-0

$$$$
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csChFnd80/02221609172D

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HDAC, EGFR, HER2

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>  <URL> (125)
http://www.selleckchem.com/products/CUDC-101.html

>  <CAS Number> (125)
1012054-59-9

$$$$
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>  <Mol_ID> (126)
142

>  <Formula> (126)
C20H24O2

>  <MolWeight> (126)
296.40336

>  <Item Name> (126)
Exemestane

>  <Catalog Number> (126)
S1196

>  <Synonyms> (126)
Aromasin

>  <Target> (126)
Aromatase

>  <Form> (126)
Free Base

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

>  <CAS Number> (126)
107868-30-4

$$$$
Irinotecan.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (127)
143

>  <Formula> (127)
C33H38N4O6

>  <MolWeight> (127)
586.67802

>  <Item Name> (127)
Irinotecan

>  <Catalog Number> (127)
S1198

>  <Synonyms> (127)
Camptosar, Campto 

>  <Target> (127)
Topoisomerase

>  <Form> (127)
Free Base

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

>  <CAS Number> (127)
97682-44-5

$$$$
Cladribine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (128)
144

>  <Formula> (128)
C10H12ClN5O3

>  <MolWeight> (128)
285.68698

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Cladribine

>  <Catalog Number> (128)
S1199

>  <Synonyms> (128)
Leustatin

>  <Target> (128)
DNA/RNA Synthesis

>  <Form> (128)
Free Base

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

>  <CAS Number> (128)
4291-63-8

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (129)
145

>  <Formula> (129)
C8H12N4O4

>  <MolWeight> (129)
228.20528

>  <Item Name> (129)
Decitabine

>  <Catalog Number> (129)
S1200

>  <Synonyms> (129)
Dacogen

>  <Target> (129)
DNA/RNA Synthesis

>  <Form> (129)
Free Base

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

>  <CAS Number> (129)
2353-33-5

$$$$
Dutasteride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (130)
146

>  <Formula> (130)
C27H30F6N2O2

>  <MolWeight> (130)
528.5297192

>  <Item Name> (130)
Dutasteride

>  <Catalog Number> (130)
S1202

>  <Synonyms> (130)
Avodart

>  <Target> (130)
5-alpha Reductase

>  <Form> (130)
Free Base

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

>  <CAS Number> (130)
164656-23-9

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/02221609172D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (131)
147

>  <Formula> (131)
C16H15BrClN5O4S

>  <MolWeight> (131)
488.7434

>  <Item Name> (131)
PIK-75 

>  <Catalog Number> (131)
S1205

>  <Synonyms> (131)
N/A

>  <Target> (131)
PI3K, DNA-PK

>  <Form> (131)
Hydrochloride

>  <URL> (131)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

>  <CAS Number> (131)
372196-77-5

$$$$
AV-951.cdx
csChFnd80/02221609172D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   10.4854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (132)
148

>  <Formula> (132)
C22H19ClN4O5

>  <MolWeight> (132)
454.86306

>  <Item Name> (132)
Tivozanib (AV-951)

>  <Catalog Number> (132)
S1207

>  <Synonyms> (132)
N/A 

>  <Target> (132)
VEGFR, c-Kit, PDGFR

>  <Form> (132)
Free Base

>  <URL> (132)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (132)
475108-18-0

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/02221609172D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
149

>  <Formula> (133)
C27H30ClNO11

>  <MolWeight> (133)
579.9802

>  <Item Name> (133)
Doxorubicin (Adriamycin)

>  <Catalog Number> (133)
S1208

>  <Synonyms> (133)
N/A 

>  <Target> (133)
Topoisomerase

>  <Form> (133)
Hydrochloride

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

>  <CAS Number> (133)
25316-40-9

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/02221609172D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
150

>  <Formula> (134)
C4H3FN2O2

>  <MolWeight> (134)
130.0772232

>  <Item Name> (134)
Adrucil (Fluorouracil)

>  <Catalog Number> (134)
S1209

>  <Synonyms> (134)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (134)
DNA/RNA Synthesis

>  <Form> (134)
Free Base

>  <URL> (134)
http://www.selleckchem.com/products/Adrucil(Fluorouracil).html

>  <CAS Number> (134)
51-21-8

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/02221609172D

 33 35  0  0  0  0  0  0  0  0999 V2000
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  2 12  1  0  0  0  0
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 20 15  1  0  0  0  0
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 29 32  2  0  0  0  0
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M  END
>  <Mol_ID> (135)
151

>  <Formula> (135)
C20H22N8O5

>  <MolWeight> (135)
454.43928

>  <Item Name> (135)
Abitrexate (Methotrexate)

>  <Catalog Number> (135)
S1210

>  <Synonyms> (135)
Methotrexate, Rheumatrex, Trexall

>  <Target> (135)
DHFR

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
59-05-2

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (136)
153

>  <Formula> (136)
C16H22Cl3N3O2

>  <MolWeight> (136)
394.72378

>  <Item Name> (136)
Bendamustine HCL 

>  <Catalog Number> (136)
S1212

>  <Synonyms> (136)
Ribomustin, Treanda, SDX-105

>  <Target> (136)
Others

>  <Form> (136)
Hydrochloride

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

>  <CAS Number> (136)
3543-75-7

$$$$
Arranon (Nelarabine).cdx
csChFnd80/02221609172D

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 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (137)
154

>  <Formula> (137)
C11H15N5O5

>  <MolWeight> (137)
297.2673

>  <Item Name> (137)
Nelarabine (Arranon)

>  <Catalog Number> (137)
S1213

>  <Synonyms> (137)
Arranon

>  <Target> (137)
DNA/RNA Synthesis 

>  <Form> (137)
Free Base

>  <URL> (137)
http://www.selleckchem.com/products/Arranon.html

>  <CAS Number> (137)
121032-29-9

$$$$
Bleomycin sulfate.cdx
csChFnd80/02221609172D

102106  0  0  0  0  0  0  0  0999 V2000
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   11.9710    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (138)
155

>  <Formula> (138)
C55H85N17O25S4

>  <MolWeight> (138)
1512.6223

>  <Item Name> (138)
Bleomycin sulfate

>  <Catalog Number> (138)
S1214

>  <Synonyms> (138)
Blenoxane

>  <Target> (138)
DNA/RNA Synthesis

>  <Form> (138)
Sulfate

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

>  <CAS Number> (138)
9041-93-4

$$$$
Clofarabine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (139)
157

>  <Formula> (139)
C10H11ClFN5O3

>  <MolWeight> (139)
303.6774432

>  <Item Name> (139)
Clofarabine

>  <Catalog Number> (139)
S1218

>  <Synonyms> (139)
Clolar, Evoltra

>  <Target> (139)
DNA/RNA Synthesis

>  <Form> (139)
Free Base

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

>  <CAS Number> (139)
123318-82-1

$$$$
OSI-930.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (140)
158

>  <Formula> (140)
C22H16F3N3O2S

>  <MolWeight> (140)
443.4415496

>  <Item Name> (140)
OSI-930

>  <Catalog Number> (140)
S1220

>  <Synonyms> (140)
N/A

>  <Target> (140)
c-Kit, VEGFR

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/OSI-930.html

>  <CAS Number> (140)
728033-96-3

$$$$
Dexrazoxane Hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (141)
159

>  <Formula> (141)
C11H17ClN4O4

>  <MolWeight> (141)
304.73008

>  <Item Name> (141)
Dexrazoxane Hydrochloride

>  <Catalog Number> (141)
S1222

>  <Synonyms> (141)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (141)
Others

>  <Form> (141)
Hydrochloride

>  <URL> (141)
http://www.selleckchem.com/products/Dexrazoxane-Hydrochloride.html

>  <CAS Number> (141)
149003-01-0

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (142)
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>  <Formula> (142)
C8H14N2O4Pt

>  <MolWeight> (142)
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>  <Item Name> (142)
Oxaliplatin (Eloxatin)

>  <Catalog Number> (142)
S1224

>  <Synonyms> (142)
Eloxatin

>  <Target> (142)
DNA/RNA Synthesis 

>  <Form> (142)
Free Base

>  <URL> (142)
http://www.selleckchem.com/products/Eloxatin.html

>  <CAS Number> (142)
61825-94-3

$$$$
Etoposide.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (143)
162

>  <Formula> (143)
C29H32O13

>  <MolWeight> (143)
588.55658

>  <Item Name> (143)
Etoposide (VP-16)
Etoposide

>  <Catalog Number> (143)
S1225

>  <Synonyms> (143)
Vepesid 

>  <Target> (143)
Topoisomerase

>  <Form> (143)
Free Base

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

>  <CAS Number> (143)
33419-42-0

$$$$
KU-0063794.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (144)
163

>  <Formula> (144)
C25H31N5O4

>  <MolWeight> (144)
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>  <Item Name> (144)
Ku-0063794

>  <Catalog Number> (144)
S1226

>  <Synonyms> (144)
N/A

>  <Target> (144)
mTOR 

>  <Form> (144)
Free Base

>  <URL> (144)
http://www.selleckchem.com/products/KU-0063794.html

>  <CAS Number> (144)
938440-64-3

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (145)
164

>  <Formula> (145)
C28H28ClNO4S

>  <MolWeight> (145)
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>  <Item Name> (145)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (145)
S1227

>  <Synonyms> (145)
Raloxifene Hydrochloride, keoxifene

>  <Target> (145)
Estrogen/progestogen Receptor

>  <Form> (145)
Hydrochloride

>  <URL> (145)
http://www.selleckchem.com/products/Evista.html

>  <CAS Number> (145)
82640-04-8

$$$$
Idarubicin Hydrochloride.cdx
csChFnd80/02221609172D

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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (146)
165

>  <Formula> (146)
C26H28ClNO9

>  <MolWeight> (146)
533.95482

>  <Item Name> (146)
Idarubicin HCl

>  <Catalog Number> (146)
S1228

>  <Synonyms> (146)
Idamycin, Zavedos, 4-demethoxydaunorubicin 

>  <Target> (146)
Topoisomerase

>  <Form> (146)
Hydrochloride

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

>  <CAS Number> (146)
57852-57-0

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/02221609172D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (147)
166

>  <Formula> (147)
C10H13FN5O7P

>  <MolWeight> (147)
365.2116842

>  <Item Name> (147)
Fludarabine Phosphate (Fludara)

>  <Catalog Number> (147)
S1229

>  <Synonyms> (147)
N/A 

>  <Target> (147)
DNA/RNA Synthesis

>  <Form> (147)
Phosphate

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

>  <CAS Number> (147)
75607-67-9

$$$$
Topotecan.cdx
csChFnd80/02221609172D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 13  9  1  0  0  0  0
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 29 30  1  0  0  0  0
 24 31  1  1  0  0  0
M  END
>  <Mol_ID> (148)
167

>  <Formula> (148)
C23H24ClN3O5

>  <MolWeight> (148)
457.90676

>  <Item Name> (148)
Topotecan HCl

>  <Catalog Number> (148)
S1231

>  <Synonyms> (148)
Hycamtin, NSC 609699

>  <Target> (148)
Topoisomerase 

>  <Form> (148)
Hydrochloride

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

>  <CAS Number> (148)
119413-54-6

$$$$
2-Methoxyestradiol.cdx
csChFnd80/02221609172D

 25 28  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
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 10  5  1  0  0  0  0
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 14 10  1  0  0  0  0
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 17 24  1  1  0  0  0
 11 25  1  6  0  0  0
M  END
>  <Mol_ID> (149)
168

>  <Formula> (149)
C19H26O3

>  <MolWeight> (149)
302.40794

>  <Item Name> (149)
2-Methoxyestradiol

>  <Catalog Number> (149)
S1233

>  <Synonyms> (149)
2-ME2

>  <Target> (149)
HIF

>  <Form> (149)
Free Base

>  <URL> (149)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (149)
362-07-2

$$$$
Letrozole.cdx
csChFnd80/02221609172D

 22 24  0  0  0  0  0  0  0  0999 V2000
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Letrozole

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S1235

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Femara, Piroxicam 

>  <Target> (150)
Aromatase 

>  <Form> (150)
Free Base

>  <URL> (150)
http://www.selleckchem.com/products/Letrozole.html

>  <CAS Number> (150)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (151)
170

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C6H6N6O2

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194.15084

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Temozolomide

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S1237

>  <Synonyms> (151)
Methazolastone, Temodar, Temodal

>  <Target> (151)
Others

>  <Form> (151)
Free Base

>  <URL> (151)
http://www.selleckchem.com/products/Methazolastone.html

>  <CAS Number> (151)
85622-93-1

$$$$
MP-470.cdx
csChFnd80/02221609172D

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172

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C23H21N5O3S

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447.50954

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Amuvatinib (MP-470)

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S1244

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N/A 

>  <Target> (152)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (152)
Free Base

>  <URL> (152)
http://www.selleckchem.com/products/MP-470.html

>  <CAS Number> (152)
850879-09-3

$$$$
leflunomide.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (153)
173

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C12H9F3N2O2

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270.2072696

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Leflunomide

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S1247

>  <Synonyms> (153)
Arava

>  <Target> (153)
Others

>  <Form> (153)
Free Base

>  <URL> (153)
http://www.selleckchem.com/products/Leflunomide.html

>  <CAS Number> (153)
75706-12-6

$$$$
JNJ-7706621.cdx
csChFnd80/02221609172D

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174

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C15H12F2N6O3S

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JNJ-7706621

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S1249

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N/A 

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CDK, Aurora Kinase

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Free Base

>  <URL> (154)
http://www.selleckchem.com/products/JNJ-7706621.html

>  <CAS Number> (154)
443797-96-4

$$$$
MDV3100.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (155)
175

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C21H16F4N4O2S

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>  <Item Name> (155)
MDV3100 (Enzalutamide)

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S1250

>  <Synonyms> (155)
N/A 

>  <Target> (155)
Androgen Receptor, P450

>  <Form> (155)
Free Base

>  <URL> (155)
http://www.selleckchem.com/products/MDV3100.html

>  <CAS Number> (155)
915087-33-1

$$$$
Dienogest.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (156)
176

>  <Formula> (156)
C20H25NO2

>  <MolWeight> (156)
311.418

>  <Item Name> (156)
Dienogest

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S1251

>  <Synonyms> (156)
Natazia

>  <Target> (156)
Estrogen/progestogen Receptor

>  <Form> (156)
Free Base

>  <URL> (156)
http://www.selleckchem.com/products/Dienogest.html

>  <CAS Number> (156)
65928-58-7

$$$$
nepafenac.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (157)
177

>  <Formula> (157)
C15H14N2O2

>  <MolWeight> (157)
254.28386

>  <Item Name> (157)
Nepafenac

>  <Catalog Number> (157)
S1255

>  <Synonyms> (157)
Nevanac

>  <Target> (157)
Others

>  <Form> (157)
Free Base

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

>  <CAS Number> (157)
78281-72-8

$$$$
Posaconazole.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (158)
178

>  <Formula> (158)
C37H42F2N8O4

>  <MolWeight> (158)
700.7773864

>  <Item Name> (158)
Posaconazole

>  <Catalog Number> (158)
S1257

>  <Synonyms> (158)
Noxafil

>  <Target> (158)
Others

>  <Form> (158)
Free Base

>  <URL> (158)
http://www.selleckchem.com/products/Posaconazole.html

>  <CAS Number> (158)
171228-49-2

$$$$
prasugrel.cdx
csChFnd80/02221609172D

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Prasugrel (Effient)

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Effient, Efient, Prasita

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P2 Receptor

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

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150322-43-3

$$$$
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csChFnd80/02221609172D

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>  <Mol_ID> (160)
180

>  <Formula> (160)
C16H21NO2

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S1259

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Rozerem, TAK-375

>  <Target> (160)
Others

>  <Form> (160)
Free Base

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

>  <CAS Number> (160)
196597-26-9

$$$$
s4261.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (161)
181

>  <Formula> (161)
C18H18ClMnN2O4

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416.737569

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EUK 134

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S4261

>  <Synonyms> (161)
N/A

>  <Target> (161)
Beta Amyloid

>  <Form> (161)
Free Base

>  <URL> (161)
http://www.selleckchem.com/products/euk-134.html

>  <CAS Number> (161)
81065-76-1

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/02221609172D

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183

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C22H23ClF3N

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AMG-073 HCl (Cinacalcet hydrochloride)

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S1260

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Mimpara, Sensipar

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CaSR

>  <Form> (162)
Hydrochloride

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

>  <CAS Number> (162)
364782-34-3

$$$$
Celecoxib.cdx
csChFnd80/02221609172D

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184

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>  <Synonyms> (163)
Celebrex, Celebra 

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COX

>  <Form> (163)
Free Base

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

>  <CAS Number> (163)
169590-42-5

$$$$
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1146699-66-2

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FGFR, VEGFR

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Free Base

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219580-11-7

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mTOR 

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M  END
>  <Mol_ID> (167)
188

>  <Formula> (167)
C23H18ClF2N3O3S

>  <MolWeight> (167)
489.9221264

>  <Item Name> (167)
Vemurafenib (PLX4032)

>  <Catalog Number> (167)
S1267

>  <Synonyms> (167)
RG7204 

>  <Target> (167)
Raf 

>  <Form> (167)
Free Base

>  <URL> (167)
http://www.selleckchem.com/products/PLX-4032.html

>  <CAS Number> (167)
918504-65-1

$$$$
Adapalene.cdx
csChFnd80/02221609172D

 31 36  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (168)
190

>  <Formula> (168)
C28H28O3

>  <MolWeight> (168)
412.52012

>  <Item Name> (168)
Adapalene

>  <Catalog Number> (168)
S1276

>  <Synonyms> (168)
Differin

>  <Target> (168)
Others

>  <Form> (168)
Free Base

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

>  <CAS Number> (168)
106685-40-9

$$$$
Altretamine.cdx
csChFnd80/02221609172D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (169)
191

>  <Formula> (169)
C9H18N6

>  <MolWeight> (169)
210.27942

>  <Item Name> (169)
Altretamine (Hexalen)

>  <Catalog Number> (169)
S1278

>  <Synonyms> (169)
Hexalen

>  <Target> (169)
Others

>  <Form> (169)
Free Base

>  <URL> (169)
http://www.selleckchem.com/products/Altretamine.html

>  <CAS Number> (169)
645-05-6

$$$$
Amisulpride.cdx
csChFnd80/02221609172D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (170)
192

>  <Formula> (170)
C17H27N3O4S

>  <MolWeight> (170)
369.47898

>  <Item Name> (170)
Amisulpride

>  <Catalog Number> (170)
S1280

>  <Synonyms> (170)
Solian

>  <Target> (170)
Dopamine Receptor

>  <Form> (170)
Free Base

>  <URL> (170)
http://www.selleckchem.com/products/Amisulpride.html

>  <CAS Number> (170)
71675-85-9

$$$$
Aniracetam.cdx
csChFnd80/02221609172D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (171)
193

>  <Formula> (171)
C12H13NO3

>  <MolWeight> (171)
219.23652

>  <Item Name> (171)
Aniracetam

>  <Catalog Number> (171)
S1281

>  <Synonyms> (171)
Draganon, Sarpul, Ampamet

>  <Target> (171)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (171)
Free Base

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

>  <CAS Number> (171)
72432-10-1

$$$$
Asenapine maleate.cdx
csChFnd80/02221609172D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (172)
194

>  <Formula> (172)
C21H20ClNO5

>  <MolWeight> (172)
401.8402

>  <Item Name> (172)
Asenapine maleate

>  <Catalog Number> (172)
S1283

>  <Synonyms> (172)
Saphris

>  <Target> (172)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (172)
Maleate

>  <URL> (172)
http://www.selleckchem.com/products/Asenapine.html

>  <CAS Number> (172)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (173)
195

>  <Formula> (173)
C24H29ClN2O5

>  <MolWeight> (173)
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>  <Item Name> (173)
Benazepril hydrochloride

>  <Catalog Number> (173)
S1284

>  <Synonyms> (173)
Lotensin

>  <Target> (173)
RAAS

>  <Form> (173)
Hydrochloride

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

>  <CAS Number> (173)
86541-74-4

$$$$
Budesonide.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (174)
197

>  <Formula> (174)
C25H34O6

>  <MolWeight> (174)
430.53386

>  <Item Name> (174)
Budesonide

>  <Catalog Number> (174)
S1286

>  <Synonyms> (174)
Rhinocort, Pulmicort , Entocort, Symbicort, Noex. Entocort EC

>  <Target> (174)
Others

>  <Form> (174)
Free Base

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

>  <CAS Number> (174)
51333-22-3

$$$$
Bumetanide.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (175)
198

>  <Formula> (175)
C17H20N2O5S

>  <MolWeight> (175)
364.4161

>  <Item Name> (175)
Bumetanide

>  <Catalog Number> (175)
S1287

>  <Synonyms> (175)
Bumex

>  <Target> (175)
Others

>  <Form> (175)
Free Base

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

>  <CAS Number> (175)
28395-03-1

$$$$
Carmofur.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (176)
199

>  <Formula> (176)
C11H16FN3O3

>  <MolWeight> (176)
257.2614432

>  <Item Name> (176)
Carmofur

>  <Catalog Number> (176)
S1289

>  <Synonyms> (176)
HCFU

>  <Target> (176)
Antimetabolites

>  <Form> (176)
Free Base

>  <URL> (176)
http://www.selleckchem.com/products/Carmofur.html

>  <CAS Number> (176)
61422-45-5

$$$$
Celastrol.cdx
csChFnd80/02221609172D

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 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14 10  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  2  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
 10 26  1  1  0  0  0
 11 27  1  1  0  0  0
 18 28  1  1  0  0  0
 17 29  1  1  0  0  0
 21 30  1  1  0  0  0
 21 31  1  6  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 12 34  1  6  0  0  0
M  END
>  <Mol_ID> (177)
200

>  <Formula> (177)
C29H38O4

>  <MolWeight> (177)
450.60962

>  <Item Name> (177)
Celastrol

>  <Catalog Number> (177)
S1290

>  <Synonyms> (177)
N/A

>  <Target> (177)
Others

>  <Form> (177)
Free Base

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

>  <CAS Number> (177)
34157-83-0

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/02221609172D

 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
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   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
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   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
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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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 10  2  0  0  0  0
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 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
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 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (178)
201

>  <Formula> (178)
C21H27Cl3N2O3

>  <MolWeight> (178)
461.80968

>  <Item Name> (178)
Cetirizine Dihydrochloride

>  <Catalog Number> (178)
S1291

>  <Synonyms> (178)
Zyrtec, Reactine

>  <Target> (178)
Histamine Receptor

>  <Form> (178)
Hydrochloride

>  <URL> (178)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (178)
83881-52-1

$$$$
Cilnidipine.cdx
csChFnd80/02221609172D

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.2494    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4618    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8825    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    6.0411    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7154    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1360    5.5927    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
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  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
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 23 24  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (179)
202

>  <Formula> (179)
C27H28N2O7

>  <MolWeight> (179)
492.52042

>  <Item Name> (179)
Cilnidipine

>  <Catalog Number> (179)
S1293

>  <Synonyms> (179)
FRC 8653 

>  <Target> (179)
Calcium Channel

>  <Form> (179)
Free Base

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

>  <CAS Number> (179)
132203-70-4

$$$$
Camptothecine.cdx
csChFnd80/02221609172D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.6832    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
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  2 15  2  0  0  0  0
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 16 17  1  0  0  0  0
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 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (180)
203

>  <Formula> (180)
C20H16N2O4

>  <MolWeight> (180)
348.35204

>  <Item Name> (180)
Camptothecin

>  <Catalog Number> (180)
S1288

>  <Synonyms> (180)
N/A

>  <Target> (180)
Topoisomerase

>  <Form> (180)
Free Base

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

>  <CAS Number> (180)
7689-03-4

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 12  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (181)
204

>  <Formula> (181)
C18H20O2

>  <MolWeight> (181)
268.3502

>  <Item Name> (181)
Diethylstilbestrol (Stilbestrol)

>  <Catalog Number> (181)
S1859

>  <Synonyms> (181)
diethylstilboestrol, DES, Stilbestrol, Agostilben

>  <Target> (181)
Others

>  <Form> (181)
Free Base

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

>  <CAS Number> (181)
56-53-1

$$$$
Diltiazem HCl.cdx
csChFnd80/02221609172D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.0318    7.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6107    5.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3351    7.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0533    3.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6566    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9566    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6566    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0566    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2210    9.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9177   10.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8232    9.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2666    5.8932    0.0000 Cl  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  7  1  0  0  0  0
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  4  8  1  1  0  0  0
  5  9  1  1  0  0  0
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 10 11  1  0  0  0  0
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 14  9  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  3 20  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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  7 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29  1  1  0  0  0  0
M  END
>  <Mol_ID> (182)
205

>  <Formula> (182)
C22H27ClN2O4S

>  <MolWeight> (182)
450.97878

>  <Item Name> (182)
Diltiazem HCl (Tiazac)

>  <Catalog Number> (182)
S1865

>  <Synonyms> (182)
Cardizem

>  <Target> (182)
Others

>  <Form> (182)
Hydrochloric

>  <URL> (182)
http://www.selleckchem.com/products/Diltiazem-HCl(Tiazac).html

>  <CAS Number> (182)
33286-22-5 

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/02221609172D

 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
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    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
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    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (183)
206

>  <Formula> (183)
C17H22ClNO

>  <MolWeight> (183)
291.81568

>  <Item Name> (183)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (183)
S1866

>  <Synonyms> (183)
Dimedrol

>  <Target> (183)
Others

>  <Form> (183)
Hydrochloride

>  <URL> (183)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (183)
147-24-0 

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/02221609172D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.8287    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    5.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.1760    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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  9 10  2  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  1  0  0  0  0
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 14 15  1  6  0  0  0
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 16 17  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (184)
207

>  <Formula> (184)
C21H24ClNO

>  <MolWeight> (184)
341.87436

>  <Item Name> (184)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (184)
S1869

>  <Synonyms> (184)
Priligy, LY-210448 hydrochloride

>  <Target> (184)
5-HT Receptor

>  <Form> (184)
Hydrochloride

>  <URL> (184)
http://www.selleckchem.com/products/Dapoxetine-hydrochloride(Priligy).html

>  <CAS Number> (184)
129938-20-1

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    1.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    3.1208    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
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 13  9  2  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (185)
208

>  <Formula> (185)
C10H8Cl3N3O

>  <MolWeight> (185)
292.54902

>  <Item Name> (185)
Anagrelide hydrochloride 

>  <Catalog Number> (185)
S3172

>  <Synonyms> (185)
N/A

>  <Target> (185)
PDE

>  <Form> (185)
Hydrochloride 

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

>  <CAS Number> (185)
58579-51-4

$$$$
Antipyrine.cdx
csChFnd80/02221609172D

 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
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  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
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  5 13  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
>  <Mol_ID> (186)
209

>  <Formula> (186)
C11H12N2O

>  <MolWeight> (186)
188.22578

>  <Item Name> (186)
Antipyrine

>  <Catalog Number> (186)
S3173

>  <Synonyms> (186)
N/A 

>  <Target> (186)
Others

>  <Form> (186)
Free Base

>  <URL> (186)
http://www.selleckchem.com/products/antipyrine.html

>  <CAS Number> (186)
60-80-0

$$$$
Felodipine.cdx
csChFnd80/02221609172D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6289    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (187)
210

>  <Formula> (187)
C18H19Cl2NO4

>  <MolWeight> (187)
384.25376

>  <Item Name> (187)
Felodipine (Plendil)

>  <Catalog Number> (187)
S1885

>  <Synonyms> (187)
Renedil, Feloday 

>  <Target> (187)
NULL

>  <Form> (187)
Free Base

>  <URL> (187)
http://www.selleckchem.com/products/Felodipine(Plendil).html

>  <CAS Number> (187)
72509-76-3

$$$$
Deflazacort.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (188)
211

>  <Formula> (188)
C25H31NO6

>  <MolWeight> (188)
441.51674

>  <Item Name> (188)
Deflazacort (Calcort)

>  <Catalog Number> (188)
S1888

>  <Synonyms> (188)
Cortax, Decortil, Deflanil

>  <Target> (188)
Others

>  <Form> (188)
Free Base

>  <URL> (188)
http://www.selleckchem.com/products/Deflazacor.html

>  <CAS Number> (188)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (189)
212

>  <Formula> (189)
C12H21N5O2S2

>  <MolWeight> (189)
331.45744

>  <Item Name> (189)
Nizatidine

>  <Catalog Number> (189)
S1890

>  <Synonyms> (189)
Axid

>  <Target> (189)
Others

>  <Form> (189)
Free Base

>  <URL> (189)
http://www.selleckchem.com/products/Nizatidine(Axid).html

>  <CAS Number> (189)
76963-41-2

$$$$
Dyclonine hydrochloride.cdx
csChFnd80/02221609172D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (190)
214

>  <Formula> (190)
C18H28ClNO2

>  <MolWeight> (190)
325.87342

>  <Item Name> (190)
Dyclonine hydrochloride

>  <Catalog Number> (190)
S2041

>  <Synonyms> (190)
N/A

>  <Target> (190)
Others

>  <Form> (190)
Hydrochloride

>  <URL> (190)
http://www.selleckchem.com/products/dyclonine-hydrochloride.html

>  <CAS Number> (190)
536-43-6

$$$$
CARBILEV (carbidopa).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (191)
215

>  <Formula> (191)
C10H14N2O4

>  <MolWeight> (191)
226.22916

>  <Item Name> (191)
Carbidopa

>  <Catalog Number> (191)
S1891

>  <Synonyms> (191)
Lodosyn

>  <Form> (191)
Free Base

>  <URL> (191)
http://www.selleckchem.com/products/Carbidopa.html

>  <CAS Number> (191)
28860-95-9

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/02221609172D

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   11.5867    7.7325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867    7.7325    0.0000 N   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
  1  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
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  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 17  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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  4 22  1  0  0  0  0
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 22 24  2  0  0  0  0
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 29 30  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 29  2  0  0  0  0
M  END
>  <Mol_ID> (192)
217

>  <Formula> (192)
C24H29N5O3

>  <MolWeight> (192)
435.51876

>  <Item Name> (192)
Valsartan (Diovan)

>  <Catalog Number> (192)
S1894

>  <Synonyms> (192)
N/A 

>  <Target> (192)
RAAS

>  <Form> (192)
Free Base

>  <URL> (192)
http://www.selleckchem.com/products/Valsartan(Diovan).html

>  <CAS Number> (192)
137862-53-4

$$$$

csChFnd80/02221609172D

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  3  4  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (193)
218

>  <Formula> (193)
C24H40N8O4

>  <MolWeight> (193)
504.6256

>  <Item Name> (193)
Dipyridamole (Persantine)

>  <Catalog Number> (193)
S1895

>  <Synonyms> (193)
Permole

>  <Target> (193)
Others

>  <Form> (193)
Free Base

>  <URL> (193)
http://www.selleckchem.com/products/Dipyridamole(Permole,-Persantine).html

>  <CAS Number> (193)
58-32-2

$$$$
Hydroxyurea.cdx
csChFnd80/02221609172D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    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
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (194)
219

>  <Formula> (194)
CH4N2O2

>  <MolWeight> (194)
76.05466

>  <Item Name> (194)
Hydroxyurea (Cytodrox)

>  <Catalog Number> (194)
S1896

>  <Synonyms> (194)
Hydrea, Biosupressin

>  <Target> (194)
Others

>  <Form> (194)
Free Base

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

>  <CAS Number> (194)
127-07-1

$$$$
IOSAT (potassium iodide).cdx
csChFnd80/02221609172D

  2  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
M  END
>  <Mol_ID> (195)
220

>  <Formula> (195)
IK

>  <MolWeight> (195)
166.00277

>  <Item Name> (195)
Potassium iodide

>  <Catalog Number> (195)
S1897

>  <Synonyms> (195)
N/A 

>  <Target> (195)
Others

>  <Form> (195)
Inorganic salt

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

>  <CAS Number> (195)
7681-11-0

$$$$
Tropisetron hydrochloride.cdx
csChFnd80/02221609172D

 24 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
    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
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (196)
221

>  <Formula> (196)
C17H21ClN2O2

>  <MolWeight> (196)
320.81384

>  <Item Name> (196)
Tropisetron HCl

>  <Catalog Number> (196)
S1898

>  <Synonyms> (196)
Navoban

>  <Target> (196)
Others

>  <Form> (196)
Hydrochloride

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

>  <CAS Number> (196)
105826-92-4 

$$$$
Nicotinamide.cdx
csChFnd80/02221609172D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    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 N   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
  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
M  END
>  <Mol_ID> (197)
222

>  <Formula> (197)
C6H6N2O

>  <MolWeight> (197)
122.12464

>  <Item Name> (197)
Nicotinamide (Niacinamide)

>  <Catalog Number> (197)
S1899

>  <Synonyms> (197)
Niacinamide, Nicotinic acid amide 

>  <Target> (197)
NULL

>  <Form> (197)
Free Base

>  <URL> (197)
http://www.selleckchem.com/products/Nicotinamide(Niacinamide).html

>  <CAS Number> (197)
98-92-0

$$$$
Vitamin B12.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (198)
223

>  <Formula> (198)
C63H88CoN14O14P

>  <MolWeight> (198)
1355.365181

>  <Item Name> (198)
Vitamin B12

>  <Catalog Number> (198)
S1902

>  <Synonyms> (198)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (198)
Others

>  <Form> (198)
Free Base

>  <URL> (198)
http://www.selleckchem.com/products/Vitamin-B12.html

>  <CAS Number> (198)
68-19-9

$$$$
ARTHROTEC (diclofenac sodium).cdx
csChFnd80/02221609172D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    8.0125    3.3493    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  2  0  0  0  0
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  2  7  1  0  0  0  0
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M  END
>  <Mol_ID> (199)
224

>  <Formula> (199)
C14H10Cl2NNaO2

>  <MolWeight> (199)
318.13047

>  <Item Name> (199)
Diclofenac

>  <Catalog Number> (199)
S1903

>  <Synonyms> (199)
Voltaren, Solaraze, Ecofenac 

>  <Target> (199)
COX

>  <Form> (199)
Sodium Salt 

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

>  <CAS Number> (199)
15307-79-6

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/02221609172D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.1099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7595    5.2643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9190    3.5017    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2090    2.1371    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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M  END
>  <Mol_ID> (200)
225

>  <Formula> (200)
C6H9N3O3

>  <MolWeight> (200)
171.15396

>  <Item Name> (200)
Metronidazole (Flagyl)

>  <Catalog Number> (200)
S1907

>  <Synonyms> (200)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587 

>  <Target> (200)
Others

>  <Form> (200)
Free Base

>  <URL> (200)
http://www.selleckchem.com/products/Metronidazole(Flagyl).html

>  <CAS Number> (200)
443-48-1

$$$$
Flutamide .cdx
csChFnd80/02221609172D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8624    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2049    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2167    5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.5049    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4997    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    3.5000    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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M  END
>  <Mol_ID> (201)
226

>  <Formula> (201)
C11H11F3N2O3

>  <MolWeight> (201)
276.2118496

>  <Item Name> (201)
Flutamide (Eulexin)

>  <Catalog Number> (201)
S1908

>  <Synonyms> (201)
Flutamin, Drogenil 

>  <Target> (201)
P450

>  <Form> (201)
Free Base

>  <URL> (201)
http://www.selleckchem.com/products/Flutamide(Eulexin).html

>  <CAS Number> (201)
13311-84-7

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/02221609172D

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    3.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    5.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2062    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7322    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404    5.8305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1487    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3569    5.8305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5651    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3569    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9816    5.1330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1940    5.8330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.7733    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  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
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 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
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 24 28  1  1  0  0  0
 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (202)
227

>  <Formula> (202)
C24H25FNNaO4

>  <MolWeight> (202)
433.4477732

>  <Item Name> (202)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (202)
S1909

>  <Synonyms> (202)
Vastin

>  <Target> (202)
HMG-CoA Reductase

>  <Form> (202)
Sodium

>  <URL> (202)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (202)
93957-55-2

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    4.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    4.1899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
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  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (203)
228

>  <Formula> (203)
C10H11N3O3S

>  <MolWeight> (203)
253.27764

>  <Item Name> (203)
Sulfamethoxazole

>  <Catalog Number> (203)
S1915

>  <Synonyms> (203)
Gantanol

>  <Target> (203)
Others

>  <Form> (203)
Free Base

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

>  <CAS Number> (203)
723-46-6

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/02221609172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    4.4810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  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 10  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (204)
229

>  <Formula> (204)
C11H13N3O3S

>  <MolWeight> (204)
267.30422

>  <Item Name> (204)
Sulfisoxazole

>  <Catalog Number> (204)
S1916

>  <Synonyms> (204)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (204)
Others

>  <Form> (204)
Free Base

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

>  <CAS Number> (204)
127-69-5

$$$$

csChFnd80/02221609172D

 29 30  0  0  0  0  0  0  0  0999 V2000
    7.6370   -5.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6370   -6.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8495   -7.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -6.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6412   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0577   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288   -9.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0577  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2701   -9.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0577   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7999  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2065  -12.7676    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (205)
230

>  <Formula> (205)
C25H30ClN3

>  <MolWeight> (205)
407.9788

>  <Item Name> (205)
Crystal violet 

>  <Catalog Number> (205)
S1917

>  <Synonyms> (205)
Gentian violet, Hexamethyl pararosaniline chloride 

>  <Target> (205)
Others

>  <Form> (205)
Chlorate

>  <URL> (205)
http://www.selleckchem.com/products/Crystal-violet.html

>  <CAS Number> (205)
548-62-9

$$$$
HALDOL (haloperidol).cdx
csChFnd80/02221609172D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5474    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1991    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5991    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5991    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1991    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    1.3523    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 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 19  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (206)
231

>  <Formula> (206)
C21H23ClFNO2

>  <MolWeight> (206)
375.8642232

>  <Item Name> (206)
Haloperidol (Haldol)

>  <Catalog Number> (206)
S1920

>  <Synonyms> (206)
Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

>  <Target> (206)
Others

>  <Form> (206)
Free Base

>  <URL> (206)
http://www.selleckchem.com/products/Haloperidol(Haldol).html

>  <CAS Number> (206)
52-86-8

$$$$
HEDULIN (phenindione).cdx
csChFnd80/02221609172D

 17 19  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
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    3.7564    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    3.6719    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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  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  5  1  0  0  0  0
  9 10  2  0  0  0  0
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 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (207)
232

>  <Formula> (207)
C15H10O2

>  <MolWeight> (207)
222.2387

>  <Item Name> (207)
Phenindione (Rectadione)

>  <Catalog Number> (207)
S1921

>  <Synonyms> (207)
Dindevan, Rectadione

>  <Target> (207)
Others

>  <Form> (207)
Free Base

>  <URL> (207)
http://www.selleckchem.com/products/Phenindione(Rectadione).html

>  <CAS Number> (207)
83-12-5

$$$$
Irsogladine.cdx
csChFnd80/02221609172D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.6879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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  3  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (208)
233

>  <Formula> (208)
C9H7Cl2N5

>  <MolWeight> (208)
256.09138

>  <Item Name> (208)
Irsogladine

>  <Catalog Number> (208)
S1929

>  <Synonyms> (208)
N/A

>  <Target> (208)
Others

>  <Form> (208)
Free Base

>  <URL> (208)
http://www.selleckchem.com/products/Irsogladine-maleate.html

>  <CAS Number> (208)
57381-26-7

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/02221609172D

 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  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
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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
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 11 12  1  0  0  0  0
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 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
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (209)
234

>  <Formula> (209)
C21H27FO6

>  <MolWeight> (209)
394.4338832

>  <Item Name> (209)
Triamcinolone (Aristocort)

>  <Catalog Number> (209)
S1933

>  <Synonyms> (209)
Kenacort, Tri-Nasal, Triaderm, Azmacort, Trilone, Volon A, Tristoject, Fougera, Tricortone

>  <Target> (209)
Others

>  <Form> (209)
Free Base

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

>  <CAS Number> (209)
124-94-7

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/02221609172D

 42 47  0  0  0  0  0  0  0  0999 V2000
   10.1373    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7046    1.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5026    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068    5.0348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4687    2.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8406    2.3003    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  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
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 29 30  1  0  0  0  0
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 29 33  1  0  0  0  0
 33 34  2  0  0  0  0
 24 31  1  0  0  0  0
 16 20  1  0  0  0  0
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 36 37  1  0  0  0  0
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M  END
>  <Mol_ID> (210)
235

>  <Formula> (210)
C30H24N4O8

>  <MolWeight> (210)
568.53356

>  <Item Name> (210)
Azilsartan Medoxomil (TAK-491)

>  <Catalog Number> (210)
S3057

>  <Synonyms> (210)
N/A

>  <Target> (210)
RAAS

>  <Form> (210)
Free Base

>  <URL> (210)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

>  <CAS Number> (210)
863031-21-4

$$$$
Medetomidine hcl.cdx
csChFnd80/02221609172D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.9215    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8491    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4303    3.6756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346    4.8871    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1318    1.5236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0258    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7271    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6952    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
 10  1  1  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  8  2  2  0  0  0  0
  7  3  2  0  0  0  0
  9  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
 15  9  1  0  0  0  0
  9 14  2  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (211)
236

>  <Formula> (211)
C13H17ClN2

>  <MolWeight> (211)
236.74048

>  <Item Name> (211)
Medetomidine HCl

>  <Catalog Number> (211)
S3060

>  <Synonyms> (211)
N/A

>  <Target> (211)
Adrenergic Receptor

>  <Form> (211)
HCl

>  <URL> (211)
http://www.selleckchem.com/products/medetomidine-hcl.html

>  <CAS Number> (211)
86347-15-1

$$$$
Prucalopride.cdx
csChFnd80/02221609172D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 12  8  1  0  0  0  0
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 21  9  1  0  0  0  0
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M  END
>  <Mol_ID> (212)
238

>  <Formula> (212)
C18H26ClN3O3

>  <MolWeight> (212)
367.87034

>  <Item Name> (212)
Prucalopride

>  <Catalog Number> (212)
S2875

>  <Synonyms> (212)
N/A

>  <Target> (212)
5-HT Receptor

>  <Form> (212)
Free Base

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

>  <CAS Number> (212)
179474-81-8

$$$$
Cilostazol.cdx
csChFnd80/02221609172D

 27 30  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> (213)
239

>  <Formula> (213)
C20H27N5O2

>  <MolWeight> (213)
369.46068

>  <Item Name> (213)
Cilostazol

>  <Catalog Number> (213)
S1294

>  <Synonyms> (213)
Pletal

>  <Target> (213)
PDE

>  <Form> (213)
Free Base

>  <URL> (213)
http://www.selleckchem.com/products/Cilostazol.html

>  <CAS Number> (213)
73963-72-1

$$$$
Epothilone A.cdx
csChFnd80/02221609172D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (214)
240

>  <Formula> (214)
C26H39NO6S

>  <MolWeight> (214)
493.65596

>  <Item Name> (214)
Epothilone A

>  <Catalog Number> (214)
S1297

>  <Synonyms> (214)
N/A

>  <Target> (214)
Microtubule Associated

>  <Form> (214)
Free Base

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

>  <CAS Number> (214)
152044-53-6

$$$$
Floxuridine.cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (215)
241

>  <Formula> (215)
C9H11FN2O5

>  <MolWeight> (215)
246.1924432

>  <Item Name> (215)
Floxuridine

>  <Catalog Number> (215)
S1299

>  <Synonyms> (215)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (215)
DNA/RNA Synthesis

>  <Form> (215)
Free Base

>  <URL> (215)
http://www.selleckchem.com/products/Floxuridine.html

>  <CAS Number> (215)
50-91-9

$$$$
Ftorafur.cdx
csChFnd80/02221609172D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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 10  3  1  1  0  0  0
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M  END
>  <Mol_ID> (216)
242

>  <Formula> (216)
C8H9FN2O3

>  <MolWeight> (216)
200.1670632

>  <Item Name> (216)
Tegafur (FT-207, NSC 148958)

>  <Catalog Number> (216)
S1300

>  <Synonyms> (216)
N/A

>  <Target> (216)
DNA/RNA Synthesis

>  <Form> (216)
Free Base

>  <URL> (216)
http://www.selleckchem.com/products/Ftorafur.html

>  <CAS Number> (216)
17902-23-7

$$$$
1.cdx
csChFnd80/02221609172D

 28 31  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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    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
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Others

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Free Base

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http://www.selleckchem.com/products/LY-2886721.html

>  <CAS Number> (217)
1262036-50-9

$$$$
Ifosfamide.cdx
csChFnd80/02221609172D

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Ifosfamide

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S1302

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Mitoxana, Ifex

>  <Target> (218)
DNA/RNA Synthesis

>  <Form> (218)
Free Base

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

>  <CAS Number> (218)
3778-73-2

$$$$
Megestrol Acetate.cdx
csChFnd80/02221609172D

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245

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C24H32O4

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384.50848

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Megestrol Acetate

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S1304

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Megace, Megace ES

>  <Target> (219)
Androgen Receptor

>  <Form> (219)
Acetate

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

>  <CAS Number> (219)
595-33-5

$$$$
Mercaptopurine.cdx
csChFnd80/02221609172D

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Purinethol, 6-mercaptopurine, 6-MP 

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DNA/RNA Synthesis 

>  <Form> (220)
Free Base

>  <URL> (220)
http://www.selleckchem.com/products/Mercaptopurine.html

>  <CAS Number> (220)
50-44-2

$$$$
Streptozocin.cdx
csChFnd80/02221609172D

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Streptozocin, Zanosar, STZ

>  <Target> (221)
Others

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Free Base

>  <URL> (221)
http://www.selleckchem.com/products/Streptozotocin.html

>  <CAS Number> (221)
18883-66-4

$$$$
ki16425.cdx
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C23H23ClN2O5S

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Ki16425

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S1315

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N/A

>  <Target> (222)
LPA Receptor

>  <Form> (222)
Free Base

>  <URL> (222)
http://www.selleckchem.com/products/Ki16425.html

>  <CAS Number> (222)
355025-24-0 

$$$$
Alizarin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (223)
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>  <Formula> (223)
C14H8O4

>  <MolWeight> (223)
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>  <Item Name> (223)
Alizarin

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S2526

>  <Synonyms> (223)
Rubia, alizarin crimson, crimson madder, rose madder

>  <Target> (223)
Others

>  <Form> (223)
Free Base

>  <URL> (223)
http://www.selleckchem.com/products/Alizarin.html

>  <CAS Number> (223)
72-48-0

$$$$
Costunolide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (224)
253

>  <Formula> (224)
C15H20O2

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232.3181

>  <Item Name> (224)
Costunolide

>  <Catalog Number> (224)
S1319

>  <Synonyms> (224)
N/A

>  <Target> (224)
Telomerase

>  <Form> (224)
Free Base

>  <URL> (224)
http://www.selleckchem.com/products/Costunolide.html

>  <CAS Number> (224)
553-21-9

$$$$
Dexamethasone.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (225)
254

>  <Formula> (225)
C22H29FO5

>  <MolWeight> (225)
392.4610632

>  <Item Name> (225)
Dexamethasone

>  <Catalog Number> (225)
S1322

>  <Synonyms> (225)
Decadron

>  <Target> (225)
IL Receptor

>  <Form> (225)
Free Base

>  <URL> (225)
http://www.selleckchem.com/products/Dexamethasone.html

>  <CAS Number> (225)
50-02-2

$$$$
Doxazosin mesylate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (226)
255

>  <Formula> (226)
C24H29N5O8S

>  <MolWeight> (226)
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>  <Item Name> (226)
Doxazosin mesylate

>  <Catalog Number> (226)
S1324

>  <Synonyms> (226)
Cardura, Carduran 

>  <Target> (226)
Adrenergic Receptor

>  <Form> (226)
Mesylate

>  <URL> (226)
http://www.selleckchem.com/products/Doxazosin-mesylate.html

>  <CAS Number> (226)
77883-43-3

$$$$
Etodolac.cdx
csChFnd80/02221609172D

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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (227)
257

>  <Formula> (227)
C17H21NO3

>  <MolWeight> (227)
287.35354

>  <Item Name> (227)
Etodolac (Lodine)

>  <Catalog Number> (227)
S1328

>  <Synonyms> (227)
Lodine, Lodine XL

>  <Target> (227)
COX
COX

>  <Form> (227)
Free Base

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

>  <CAS Number> (227)
41340-25-4

$$$$
Etomidate.cdx
csChFnd80/02221609172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0189    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3861    3.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0501    5.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446    6.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (228)
258

>  <Formula> (228)
C14H16N2O2

>  <MolWeight> (228)
244.28904

>  <Item Name> (228)
Etomidate

>  <Catalog Number> (228)
S1329

>  <Synonyms> (228)
Amidate

>  <Target> (228)
GABA Receptor

>  <Form> (228)
Free Base

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

>  <CAS Number> (228)
33125-97-2

$$$$
Fluconazole.cdx
csChFnd80/02221609172D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1000    5.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0024    4.6364    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (229)
259

>  <Formula> (229)
C13H12F2N6O

>  <MolWeight> (229)
306.2707864

>  <Item Name> (229)
Fluconazole

>  <Catalog Number> (229)
S1331

>  <Synonyms> (229)
Diflucan, Trican, Alfumet

>  <Target> (229)
Others

>  <Form> (229)
Free Base

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

>  <CAS Number> (229)
86386-73-4

$$$$
Flumazenil.cdx
csChFnd80/02221609172D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (230)
260

>  <Formula> (230)
C15H14FN3O3

>  <MolWeight> (230)
303.2883632

>  <Item Name> (230)
Flumazenil

>  <Catalog Number> (230)
S1332

>  <Synonyms> (230)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (230)
GABA Receptor

>  <Form> (230)
Free Base

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

>  <CAS Number> (230)
78755-81-4

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/02221609172D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (231)
261

>  <Formula> (231)
C17H19ClF3NO

>  <MolWeight> (231)
345.7870696

>  <Item Name> (231)
Fluoxetine  HCl

>  <Catalog Number> (231)
S1333

>  <Synonyms> (231)
Prozac, Sarafem

>  <Target> (231)
5-HT Receptor

>  <Form> (231)
Hydrochloride

>  <URL> (231)
http://www.selleckchem.com/products/Fluoxetine-hydrochloride.html

>  <CAS Number> (231)
56296-78-7

$$$$
Flupirtine maleate.cdx
csChFnd80/02221609172D

 30 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
262

>  <Formula> (232)
C19H21FN4O6

>  <MolWeight> (232)
420.3916432

>  <Item Name> (232)
Flupirtine maleate

>  <Catalog Number> (232)
S1334

>  <Synonyms> (232)
Katadolon

>  <Target> (232)
Antimetabolites

>  <Form> (232)
Maleate

>  <URL> (232)
http://www.selleckchem.com/products/Flupirtine-maleate.html

>  <CAS Number> (232)
75507-68-5

$$$$
Gatifloxacin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (233)
265

>  <Formula> (233)
C19H22FN3O4

>  <MolWeight> (233)
375.3940832

>  <Item Name> (233)
Gatifloxacin

>  <Catalog Number> (233)
S1340

>  <Synonyms> (233)
Gatiflo,Tequin and Zymar

>  <Target> (233)
Others

>  <Form> (233)
Free Base

>  <URL> (233)
http://www.selleckchem.com/products/Gatifloxacin.html

>  <CAS Number> (233)
112811-59-3

$$$$
Genistein.cdx
csChFnd80/02221609172D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (234)
266

>  <Formula> (234)
C15H10O5

>  <MolWeight> (234)
270.2369

>  <Item Name> (234)
Genistein

>  <Catalog Number> (234)
S1342

>  <Synonyms> (234)
N/A

>  <Target> (234)
Topoisomerase
EGFR

>  <Form> (234)
Free Base

>  <URL> (234)
http://www.selleckchem.com/products/Genistein.html

>  <CAS Number> (234)
446-72-0

$$$$
Ginkgolide B.cdx
csChFnd80/02221609172D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (235)
267

>  <Formula> (235)
C20H24O10

>  <MolWeight> (235)
424.39856

>  <Item Name> (235)
Ginkgolide B

>  <Catalog Number> (235)
S1343

>  <Synonyms> (235)
BN 52021 

>  <Target> (235)
PAFR

>  <Form> (235)
Free Base

>  <URL> (235)
http://www.selleckchem.com/products/Ginkgolide-B.html

>  <CAS Number> (235)
15291-77-7

$$$$
Glimepiride.cdx
csChFnd80/02221609172D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (236)
268

>  <Formula> (236)
C24H34N4O5S

>  <MolWeight> (236)
490.61556

>  <Item Name> (236)
Glimepiride

>  <Catalog Number> (236)
S1344

>  <Synonyms> (236)
Amaryl, Glista OD

>  <Target> (236)
DPP-4

>  <Form> (236)
Free Base

>  <URL> (236)
http://www.selleckchem.com/products/Glimepiride.html

>  <CAS Number> (236)
93479-97-1

$$$$
TG100-115.cdx
csChFnd80/02221609172D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (237)
270

>  <Formula> (237)
C18H14N6O2

>  <MolWeight> (237)
346.34276

>  <Item Name> (237)
TG100-115

>  <Catalog Number> (237)
S1352

>  <Synonyms> (237)
N/A

>  <Target> (237)
PI3K

>  <Form> (237)
Free Base

>  <URL> (237)
http://www.selleckchem.com/products/TG100-115.html

>  <CAS Number> (237)
677297-51-7

$$$$
Ketoconazole.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (238)
271

>  <Formula> (238)
C26H28Cl2N4O4

>  <MolWeight> (238)
531.43092

>  <Item Name> (238)
Ketoconazole

>  <Catalog Number> (238)
S1353

>  <Synonyms> (238)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (238)
P450

>  <Form> (238)
Free Base

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

>  <CAS Number> (238)
65277-42-1

$$$$
Lansoprazole.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (239)
272

>  <Formula> (239)
C16H14F3N3O2S

>  <MolWeight> (239)
369.3614696

>  <Item Name> (239)
Lansoprazole

>  <Catalog Number> (239)
S1354

>  <Synonyms> (239)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab

>  <Target> (239)
Proton Pump

>  <Form> (239)
Free Base

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

>  <CAS Number> (239)
103577-45-3

$$$$
Levetiracetam.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (240)
273

>  <Formula> (240)
C8H14N2O2

>  <MolWeight> (240)
170.20896

>  <Item Name> (240)
Levetiracetam

>  <Catalog Number> (240)
S1356

>  <Synonyms> (240)
Keppra, Keppra XR

>  <Target> (240)
Others

>  <Form> (240)
Free Base

>  <URL> (240)
http://www.selleckchem.com/products/Levetiracetam.html

>  <CAS Number> (240)
102767-28-2

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/02221609172D

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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (241)
274

>  <Formula> (241)
C22H23ClN2O2

>  <MolWeight> (241)
382.88322

>  <Item Name> (241)
Loratadine

>  <Catalog Number> (241)
S1358

>  <Synonyms> (241)
Alavert, Claritin

>  <Target> (241)
Histamine Receptor

>  <Form> (241)
Free Base

>  <URL> (241)
http://www.selleckchem.com/products/Loratadine.html

>  <CAS Number> (241)
79794-75-5

$$$$
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PLK

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729607-74-3

$$$$
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69408-81-7

$$$$
Acitretin.cdx
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55079-83-9

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>  <Mol_ID> (250)
284

>  <Formula> (250)
C30H31F3N8O

>  <MolWeight> (250)
576.6153496

>  <Item Name> (250)
Bafetinib (INNO-406)

>  <Catalog Number> (250)
S1369

>  <Synonyms> (250)
NS-187

>  <Target> (250)
Bcr-Abl

>  <Form> (250)
Free Base

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

>  <CAS Number> (250)
859212-16-1

$$$$
Gestodene.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (251)
287

>  <Formula> (251)
C21H26O2

>  <MolWeight> (251)
310.42994

>  <Item Name> (251)
Gestodene

>  <Catalog Number> (251)
S1376

>  <Synonyms> (251)
N/A

>  <Target> (251)
Estrogen/progestogen Receptor

>  <Form> (251)
Free Base

>  <URL> (251)
http://www.selleckchem.com/products/Gestodene.html

>  <CAS Number> (251)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/02221609172D

 34 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (252)
288

>  <Formula> (252)
C24H30O3

>  <MolWeight> (252)
366.4932

>  <Item Name> (252)
Drospirenone

>  <Catalog Number> (252)
S1377

>  <Synonyms> (252)
Angeliq

>  <Target> (252)
Estrogen/progestogen Receptor

>  <Form> (252)
Free Base

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

>  <CAS Number> (252)
67392-87-4

$$$$
Isotretinoin.cdx
csChFnd80/02221609172D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (253)
289

>  <Formula> (253)
C20H28O2

>  <MolWeight> (253)
300.43512

>  <Item Name> (253)
Isotretinoin

>  <Catalog Number> (253)
S1379

>  <Synonyms> (253)
Accutane, Amnesteem, Claravis, Sotret

>  <Target> (253)
Hydroxylase

>  <Form> (253)
Free Base

>  <URL> (253)
http://www.selleckchem.com/products/Isotretinoin.html

>  <CAS Number> (253)
4759-48-2

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/02221609172D

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   12.0949    6.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    6.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    6.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3073    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826   11.1806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413   12.5757    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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  5  9  1  0  0  0  0
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 11 13  2  0  0  0  0
 14 12  1  6  0  0  0
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 15 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 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 16 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
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 16 32  1  1  0  0  0
 24 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 37 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 37  1  0  0  0  0
 45 46  2  0  0  0  0
 36 34  1  6  0  0  0
M  END
>  <Mol_ID> (254)
290

>  <Formula> (254)
C37H48N4O5

>  <MolWeight> (254)
628.80082

>  <Item Name> (254)
Lopinavir (ABT-378)

>  <Catalog Number> (254)
S1380

>  <Synonyms> (254)
ABT-378

>  <Target> (254)
HIV Protease

>  <Form> (254)
Free Base

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

>  <CAS Number> (254)
192725-17-0

$$$$
Meropenem.cdx
csChFnd80/02221609172D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.6554    6.2206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0603    4.8157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0603    6.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2927    3.0381    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  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  4  8  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (255)
291

>  <Formula> (255)
C17H25N3O5S

>  <MolWeight> (255)
383.4625

>  <Item Name> (255)
Meropenem

>  <Catalog Number> (255)
S1381

>  <Synonyms> (255)
Merrem, Meronem

>  <Target> (255)
Others

>  <Form> (255)
Free Base

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

>  <CAS Number> (255)
96036-03-2

$$$$
Mianserin hydrochloride.cdx
csChFnd80/02221609172D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7824    2.3134    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  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  1  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  3  1  0  0  0  0
  5 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 18  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (256)
292

>  <Formula> (256)
C18H21ClN2

>  <MolWeight> (256)
300.82574

>  <Item Name> (256)
Mianserin hydrochloride

>  <Catalog Number> (256)
S1382

>  <Synonyms> (256)
Bolvidon, Norval, Tolvon

>  <Target> (256)
Others

>  <Form> (256)
Hydrochloride

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

>  <CAS Number> (256)
21535-47-7

$$$$
Mosapride citrate.cdx
csChFnd80/02221609172D

 42 43  0  0  0  0  0  0  0  0999 V2000
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    2.4207    5.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.0512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.0512    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413   10.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7488    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   14.5198    8.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    5.9537    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5045    0.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  7 11  2  0  0  0  0
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  2 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 21 10  1  0  0  0  0
 20 22  1  0  0  0  0
 22 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 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  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 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 33 38  1  0  0  0  0
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 38 40  1  0  0  0  0
 31 41  2  0  0  0  0
 33 42  1  0  0  0  0
M  END
>  <Mol_ID> (257)
295

>  <Formula> (257)
C27H33ClFN3O10

>  <MolWeight> (257)
614.0164232

>  <Item Name> (257)
Mosapride citrate

>  <Catalog Number> (257)
S1385

>  <Synonyms> (257)
TAK-370, AS-4370, Gasmot

>  <Target> (257)
5-HT Receptor

>  <Form> (257)
Citrate

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

>  <CAS Number> (257)
112885-42-4

$$$$
Nafamostat mesylate.cdx
csChFnd80/02221609172D

 36 36  0  0  0  0  0  0  0  0999 V2000
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    5.5879    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1879    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6830    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4757    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (258)
296

>  <Formula> (258)
C21H25N5O8S2

>  <MolWeight> (258)
539.5819

>  <Item Name> (258)
Nafamostat mesylate

>  <Catalog Number> (258)
S1386

>  <Synonyms> (258)
Futhan, FUT-175

>  <Target> (258)
Proteasome

>  <Form> (258)
Mesylate

>  <URL> (258)
http://www.selleckchem.com/products/Nafamostat-mesylate.html

>  <CAS Number> (258)
82956-11-4

$$$$
Naftopidil.cdx
csChFnd80/02221609172D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (259)
297

>  <Formula> (259)
C24H30Cl2N2O3

>  <MolWeight> (259)
465.4126

>  <Item Name> (259)
Naftopidil Dihydrochloride

>  <Catalog Number> (259)
S1387

>  <Synonyms> (259)
Flivas, KT-611, Avishot 

>  <Target> (259)
Adrenergic Receptor

>  <Form> (259)
Dihydrochloride

>  <URL> (259)
http://www.selleckchem.com/products/Naftopidil-Dihydrochloride.html

>  <CAS Number> (259)
57149-08-3

$$$$
Omeprazole.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (260)
298

>  <Formula> (260)
C17H19N3O3S

>  <MolWeight> (260)
345.41606

>  <Item Name> (260)
Omeprazole (Prilosec)

>  <Catalog Number> (260)
S1389

>  <Synonyms> (260)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (260)
Proton Pump, ATPase

>  <Form> (260)
Free Base

>  <URL> (260)
http://www.selleckchem.com/products/Omeprazole.html

>  <CAS Number> (260)
73590-58-6

$$$$
Ondansetron hydrochloride.cdx
csChFnd80/02221609172D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (261)
299

>  <Formula> (261)
C18H20ClN3O

>  <MolWeight> (261)
329.8239

>  <Item Name> (261)
Ondansetron hydrochloride (Zofran)

>  <Catalog Number> (261)
S1390

>  <Synonyms> (261)
Ondemet, Emeset, Emetron

>  <Target> (261)
5-HT Receptor

>  <Form> (261)
Hydrochloride

>  <URL> (261)
http://www.selleckchem.com/products/Ondansetron-hydrochloride.html

>  <CAS Number> (261)
99614-01-4

$$$$
Pelitinib.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (262)
300

>  <Formula> (262)
C24H23ClFN5O2

>  <MolWeight> (262)
467.9231232

>  <Item Name> (262)
Pelitinib (EKB-569)

>  <Catalog Number> (262)
S1392

>  <Synonyms> (262)
WAY-EKB 569

>  <Target> (262)
EGFR

>  <Form> (262)
Free Base

>  <URL> (262)
http://www.selleckchem.com/products/Pelitinib.html

>  <CAS Number> (262)
257933-82-7

$$$$
Pizotifen malate.cdx
csChFnd80/02221609172D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 14  3  1  0  0  0  0
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M  END
>  <Mol_ID> (263)
301

>  <Formula> (263)
C23H27NO5S

>  <MolWeight> (263)
429.52918

>  <Item Name> (263)
Pizotifen malate

>  <Catalog Number> (263)
S1394

>  <Synonyms> (263)
Sandomigran, pizotyline

>  <Target> (263)
Others

>  <Form> (263)
Malate

>  <URL> (263)
http://www.selleckchem.com/products/Pizotifen-malate.html

>  <CAS Number> (263)
5189-11-7

$$$$
resveratrol.cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
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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
  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (264)
302

>  <Formula> (264)
C14H12O3

>  <MolWeight> (264)
228.24328

>  <Item Name> (264)
Resveratrol

>  <Catalog Number> (264)
S1396

>  <Synonyms> (264)
N/A

>  <Target> (264)
Sirtuin

>  <Form> (264)
Free Base

>  <URL> (264)
http://www.selleckchem.com/products/Resveratrol.html

>  <CAS Number> (264)
501-36-0

$$$$
Rocuronium bromide.cdx
csChFnd80/02221609172D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (265)
303

>  <Formula> (265)
C32H53BrN2O4

>  <MolWeight> (265)
609.67822

>  <Item Name> (265)
Rocuronium bromide

>  <Catalog Number> (265)
S1397

>  <Synonyms> (265)
Zemuron, Esmeron

>  <Target> (265)
AChR

>  <Form> (265)
Bromide

>  <URL> (265)
http://www.selleckchem.com/products/Rocuronium-bromide.html

>  <CAS Number> (265)
119302-91-9

$$$$
Stavudine.cdx
csChFnd80/02221609172D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (266)
304

>  <Formula> (266)
C10H12N2O4

>  <MolWeight> (266)
224.21328

>  <Item Name> (266)
Stavudine

>  <Catalog Number> (266)
S1398

>  <Synonyms> (266)
Zerit

>  <Target> (266)
Reverse Transcriptase

>  <Form> (266)
Free Base

>  <URL> (266)
http://www.selleckchem.com/products/Stavudine.html

>  <CAS Number> (266)
3056-17-5

$$$$
Tenofovir(PMPA).cdx
csChFnd80/02221609172D

 19 20  0  0  0  0  0  0  0  0999 V2000
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C9H14N5O4P

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Tenofovir (Viread)

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S1401

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Viread

>  <Target> (267)
Reverse Transcriptase

>  <Form> (267)
Free Base

>  <URL> (267)
http://www.selleckchem.com/products/Tenofovir.html

>  <CAS Number> (267)
147127-20-6

$$$$
S1130.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (268)
307

>  <Formula> (268)
C20H19BrN4O3

>  <MolWeight> (268)
443.29386

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YM155 (Sepantronium Bromide)

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S1130

>  <Synonyms> (268)
N/A

>  <Target> (268)
Survivin

>  <Form> (268)
Free Base

>  <URL> (268)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (268)
781661-94-7

$$$$
Tigecycline.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (269)
308

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C29H39N5O8

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585.64866

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Tigecycline

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S1403

>  <Synonyms> (269)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (269)
Others

>  <Form> (269)
Free Base

>  <URL> (269)
http://www.selleckchem.com/products/Tigecycline.html

>  <CAS Number> (269)
220620-09-7

$$$$
Trilostane.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (270)
309

>  <Formula> (270)
C20H27NO3

>  <MolWeight> (270)
329.43328

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>  <Catalog Number> (270)
S1404

>  <Synonyms> (270)
Vetoryl

>  <Target> (270)
Dehydrogenase

>  <Form> (270)
Free Base

>  <URL> (270)
http://www.selleckchem.com/products/Trilostane.html

>  <CAS Number> (270)
13647-35-3

$$$$
Vecuronium Bromide.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (271)
310

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C34H57BrN2O4

>  <MolWeight> (271)
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>  <Item Name> (271)
Vecuronium Bromide

>  <Catalog Number> (271)
S1405

>  <Synonyms> (271)
Norcuron, Org NC 45

>  <Target> (271)
Others

>  <Form> (271)
Bromide

>  <URL> (271)
http://www.selleckchem.com/products/Vecuronium-Bromide.html#

>  <CAS Number> (271)
50700-72-6

$$$$
bimatoprost.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (272)
311

>  <Formula> (272)
C25H37NO4

>  <MolWeight> (272)
415.56558

>  <Item Name> (272)
Bimatoprost

>  <Catalog Number> (272)
S1407

>  <Synonyms> (272)
Lumigan

>  <Target> (272)
Others

>  <Form> (272)
Free Base

>  <URL> (272)
http://www.selleckchem.com/products/Bimatoprost.html

>  <CAS Number> (272)
155206-00-1

$$$$
Linezolid.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (273)
312

>  <Formula> (273)
C16H20FN3O4

>  <MolWeight> (273)
337.3461032

>  <Item Name> (273)
Linezolid (Zyvox)

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S1408

>  <Synonyms> (273)
Zyvoxid, Zyvoxam

>  <Target> (273)
Others

>  <Form> (273)
Free Base

>  <URL> (273)
http://www.selleckchem.com/products/Linezolid(Zyvox).html

>  <CAS Number> (273)
165800-03-3

$$$$
Alfuzosin HCl.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (274)
313

>  <Formula> (274)
C19H28ClN5O4

>  <MolWeight> (274)
425.90972

>  <Item Name> (274)
Alfuzosin hydrochloride (Uroxatral)

>  <Catalog Number> (274)
S1409

>  <Synonyms> (274)
Uroxatral

>  <Target> (274)
Adrenergic Receptor

>  <Form> (274)
Hydrochloride

>  <URL> (274)
http://www.selleckchem.com/products/Alfuzosin-hydrochloride.html

>  <CAS Number> (274)
81403-68-1

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (275)
315

>  <Formula> (275)
C16H18ClNO6S2

>  <MolWeight> (275)
419.90022

>  <Item Name> (275)
Clopidogrel (Plavix)

>  <Catalog Number> (275)
S1415

>  <Synonyms> (275)
Iscover 

>  <Target> (275)
P2 Receptor

>  <Form> (275)
Sulfate

>  <URL> (275)
http://www.selleckchem.com/products/Clopidogrel-bisulfate.html

>  <CAS Number> (275)
120202-66-6

$$$$
5-Aminolevulinic acid hydrochloride.cdx
csChFnd80/02221609172D

 10  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (276)
316

>  <Formula> (276)
C5H10ClNO3

>  <MolWeight> (276)
167.5908

>  <Item Name> (276)
5-Aminolevulinic acid hydrochloride

>  <Catalog Number> (276)
S2553

>  <Synonyms> (276)
Levulan, ALA

>  <Target> (276)
Others

>  <Form> (276)
Hydrochloride

>  <URL> (276)
http://www.selleckchem.com/products/5-Aminolevulinic-acid-hydrochloride.html

>  <CAS Number> (276)
5451-09-2

$$$$
Droxinostat.cdx
csChFnd80/02221609172D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (277)
317

>  <Formula> (277)
C11H14ClNO3

>  <MolWeight> (277)
243.68676

>  <Item Name> (277)
Droxinostat

>  <Catalog Number> (277)
S1422

>  <Synonyms> (277)
N/A

>  <Target> (277)
HDAC 

>  <Form> (277)
Free Base

>  <URL> (277)
http://www.selleckchem.com/products/Droxinostat.html

>  <CAS Number> (277)
99873-43-5

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/02221609172D

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.1915    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1915    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 23  1  0  0  0  0
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 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (278)
318

>  <Formula> (278)
C24H35Cl2N3O4

>  <MolWeight> (278)
500.4584

>  <Item Name> (278)
Ranolazine dihydrochloride

>  <Catalog Number> (278)
S1425

>  <Synonyms> (278)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (278)
Calcium Channel

>  <Form> (278)
Dihydrochloride

>  <URL> (278)
http://www.selleckchem.com/products/Ranolazine-dihydrochloride.html

>  <CAS Number> (278)
95635-56-6

$$$$
Repaglinide.cdx
csChFnd80/02221609172D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (279)
319

>  <Formula> (279)
C27H36N2O4

>  <MolWeight> (279)
452.58574

>  <Item Name> (279)
Repaglinide

>  <Catalog Number> (279)
S1426

>  <Synonyms> (279)
Prandin, GlucoNorm, NovoNorm

>  <Target> (279)
Potassium Channel

>  <Form> (279)
Free Base

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

>  <CAS Number> (279)
135062-02-1

$$$$
Rolipram.cdx
csChFnd80/02221609172D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (280)
321

>  <Formula> (280)
C16H21NO3

>  <MolWeight> (280)
275.34284

>  <Item Name> (280)
Rolipram

>  <Catalog Number> (280)
S1430

>  <Synonyms> (280)
N/A

>  <Target> (280)
PDE

>  <Form> (280)
Free Base

>  <URL> (280)
http://www.selleckchem.com/products/Rolipram.html

>  <CAS Number> (280)
61413-54-5

$$$$
A 922500.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (281)
322

>  <Formula> (281)
C26H24N2O4

>  <MolWeight> (281)
428.47976

>  <Item Name> (281)
A 922500

>  <Catalog Number> (281)
S2674

>  <Synonyms> (281)
N/A

>  <Target> (281)
Diacylglycerol Acyltransferase 1

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/a-922500.html

>  <CAS Number> (281)
959122-11-3

$$$$
Sildenafil citrate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (282)
323

>  <Formula> (282)
C28H38N6O11S

>  <MolWeight> (282)
666.69992

>  <Item Name> (282)
Sildenafil citrate

>  <Catalog Number> (282)
S1431

>  <Synonyms> (282)
Viagra, Revatio 

>  <Target> (282)
PDE

>  <Form> (282)
Citrate

>  <URL> (282)
http://www.selleckchem.com/products/Sildenafil-citrate.html

>  <CAS Number> (282)
171599-83-0

$$$$

csChFnd80/02221609172D

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M  END
>  <Mol_ID> (283)
324

>  <Formula> (283)
C18H27N3O6S

>  <MolWeight> (283)
413.48848

>  <Item Name> (283)
Sumatriptan succinate

>  <Catalog Number> (283)
S1432

>  <Synonyms> (283)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (283)
5-HT Receptor

>  <Form> (283)
Succinate

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

>  <CAS Number> (283)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/02221609172D

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    6.6279   11.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155   10.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155    9.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6279    8.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    7.0855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2913    6.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9809    5.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6477    4.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3373    3.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041    3.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    1.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    2.3091    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8964    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.4832    9.0707    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  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  5  2  0  0  0  0
  7 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  2  0  0  0  0
  1 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  2  1  0  0  0  0
  3 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
 26 28  1  0  0  0  0
 10 30  1  0  0  0  0
M  END
>  <Mol_ID> (284)
325

>  <Formula> (284)
C21H24ClN2NaO4S

>  <MolWeight> (284)
458.93403

>  <Item Name> (284)
Tianeptine sodium

>  <Catalog Number> (284)
S1436

>  <Synonyms> (284)
Stablon, Coaxil, Tatinol

>  <Target> (284)
5-HT Receptor

>  <Form> (284)
Sodium Salt

>  <URL> (284)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (284)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/02221609172D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7240    3.0357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4240    1.8233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8240    1.8233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5240    3.0357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8240    4.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5139    4.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7608    0.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0397    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8934    2.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4021    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8615    3.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    4.6511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1956    4.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    6.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    3.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546    2.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872    0.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0382    2.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  3  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  1  0  0  0
  9 11  1  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  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
  1 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (285)
326

>  <Formula> (285)
C12H21NO8S

>  <MolWeight> (285)
339.36204

>  <Item Name> (285)
Topiramate

>  <Catalog Number> (285)
S1438

>  <Synonyms> (285)
Topamax

>  <Target> (285)
Carbonic Anhydrase

>  <Form> (285)
Free Base

>  <URL> (285)
http://www.selleckchem.com/products/Topiramate.html

>  <CAS Number> (285)
97240-79-4

$$$$
Tranilast.cdx
csChFnd80/02221609172D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9097    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073    3.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    3.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    6.0706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073    7.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4049    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1073    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5122    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2146    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5122    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2122    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6122    6.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5122    7.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1024    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  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
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (286)
327

>  <Formula> (286)
C18H17NO5

>  <MolWeight> (286)
327.33128

>  <Item Name> (286)
Tranilast (SB 252218)

>  <Catalog Number> (286)
S1439

>  <Synonyms> (286)
Rizaben, MK 341, Tranpro

>  <Target> (286)
Others

>  <Form> (286)
Free Base

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

>  <CAS Number> (286)
53902-12-8
53902-12-8

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/02221609172D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.0115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4322    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8571    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8571    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2358    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
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (287)
329

>  <Formula> (287)
C17H28ClNO2

>  <MolWeight> (287)
313.86272

>  <Item Name> (287)
Venlafaxine

>  <Catalog Number> (287)
S1441

>  <Synonyms> (287)
Effexor, Efexor 

>  <Target> (287)
5-HT Receptor

>  <Form> (287)
Hydrochloride

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

>  <CAS Number> (287)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/02221609172D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9879    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    6.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    7.2578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    7.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    8.7735    0.0000 N   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
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  0  0  0  0
 11 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 11  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  1  6  0  0  0
  9 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  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (288)
330

>  <Formula> (288)
C16H14F3N5O

>  <MolWeight> (288)
349.3104696

>  <Item Name> (288)
Voriconazole

>  <Catalog Number> (288)
S1442

>  <Synonyms> (288)
Vfend

>  <Target> (288)
P450

>  <Form> (288)
Free Base

>  <URL> (288)
http://www.selleckchem.com/products/Voriconazole.html

>  <CAS Number> (288)
137234-62-9

$$$$
Zileuton.cdx
csChFnd80/02221609172D

 16 17  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
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6720    2.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (289)
331

>  <Formula> (289)
C11H12N2O2S

>  <MolWeight> (289)
236.29018

>  <Item Name> (289)
Zileuton

>  <Catalog Number> (289)
S1443

>  <Synonyms> (289)
ZYFLO

>  <Target> (289)
Others

>  <Form> (289)
Free Base

>  <URL> (289)
http://www.selleckchem.com/products/Zileuton.html

>  <CAS Number> (289)
111406-87-2

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (290)
332

>  <Formula> (290)
C21H22Cl2N4OS

>  <MolWeight> (290)
449.39658

>  <Item Name> (290)
Ziprasidone hydrochloride

>  <Catalog Number> (290)
S1444

>  <Synonyms> (290)
Geodon, Zeldox

>  <Target> (290)
Others

>  <Form> (290)
Hydrochloride

>  <URL> (290)
http://www.selleckchem.com/products/Ziprasidone-hydrochloride.html

>  <CAS Number> (290)
122883-93-6

$$$$
Zonisamide.cdx
csChFnd80/02221609172D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (291)
333

>  <Formula> (291)
C8H8N2O3S

>  <MolWeight> (291)
212.22572

>  <Item Name> (291)
Zonisamide

>  <Catalog Number> (291)
S1445

>  <Synonyms> (291)
Zonegran

>  <Target> (291)
Others

>  <Form> (291)
Free Base

>  <URL> (291)
http://www.selleckchem.com/products/Zonisamide.html

>  <CAS Number> (291)
68291-97-4

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/02221609172D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (292)
336

>  <Formula> (292)
C31H31ClFN7O2

>  <MolWeight> (292)
588.0749432

>  <Item Name> (292)
Aurora A Inhibitor I

>  <Catalog Number> (292)
S1451

>  <Synonyms> (292)
N/A

>  <Target> (292)
Aurora Kinase

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

>  <CAS Number> (292)
1158838-45-9

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/02221609172D

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Kinesin

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Free Base

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http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

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336113-53-2

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Tipifarnib.cdx
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R115777

>  <Target> (294)
Farnesyltransferase, Ras

>  <Form> (294)
Free Base

>  <URL> (294)
http://www.selleckchem.com/products/Tipifarnib(R115777).html

>  <CAS Number> (294)
192185-72-1

$$$$
PHA-6806320.cdx
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Aurora Kinase

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Free Base

>  <URL> (295)
http://www.selleckchem.com/products/PHA-680632.html

>  <CAS Number> (295)
398493-79-3

$$$$
SB207499.cdx
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PDE

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Free Base

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http://www.selleckchem.com/products/Cilomilast(SB-207499).html

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153259-65-5

$$$$
untitled.cdx
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186497-07-4

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ROCK

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1226056-71-8

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sp600125.cdx
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HIF

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115550-35-1

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M  END
>  <Mol_ID> (302)
348

>  <Formula> (302)
C27H44O3

>  <MolWeight> (302)
416.63646

>  <Item Name> (302)
Calcitriol (Rocaltrol)

>  <Catalog Number> (302)
S1466

>  <Synonyms> (302)
Calcijex, Silkis, Rocaltrol, Topitriol, Cholecalciferol 

>  <Target> (302)
Others

>  <Form> (302)
Free Base

>  <URL> (302)
http://www.selleckchem.com/products/Calcitriol-(Rocaltrol).html

>  <CAS Number> (302)
32222-06-3

$$$$
Doxercalciferol.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (303)
349

>  <Formula> (303)
C28H44O2

>  <MolWeight> (303)
412.64776

>  <Item Name> (303)
Doxercalciferol (Hectorol)

>  <Catalog Number> (303)
S1467

>  <Synonyms> (303)
Hectorol

>  <Target> (303)
Others

>  <Form> (303)
Free Base

>  <URL> (303)
http://www.selleckchem.com/products/Doxercalciferol(Hectorol).html

>  <CAS Number> (303)
54573-75-0

$$$$
Alfacalcidol.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (304)
350

>  <Formula> (304)
C27H44O2

>  <MolWeight> (304)
400.63706

>  <Item Name> (304)
Alfacalcidol

>  <Catalog Number> (304)
S1468

>  <Synonyms> (304)
Alpha D3, Etalpha

>  <Target> (304)
Others

>  <Form> (304)
Free Base

>  <URL> (304)
http://www.selleckchem.com/products/Alfacalcidol.html

>  <CAS Number> (304)
41294-56-8

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (305)
351

>  <Formula> (305)
C21H25ClFN3O4

>  <MolWeight> (305)
437.8923032

>  <Item Name> (305)
Moxifloxacin hydrochloride

>  <Catalog Number> (305)
S1465

>  <Synonyms> (305)
Avelox, Avalox

>  <Target> (305)
Topoisomerase

>  <Form> (305)
Hydrochloride

>  <URL> (305)
http://www.selleckchem.com/products/Moxifloxacin.html

>  <CAS Number> (305)
186826-86-8

$$$$
Cyclamic acid.cdx
csChFnd80/02221609172D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (306)
352

>  <Formula> (306)
C6H13NO3S

>  <MolWeight> (306)
179.23732

>  <Item Name> (306)
Cyclamic acid

>  <Catalog Number> (306)
S4015

>  <Synonyms> (306)
N/A

>  <Target> (306)
Others

>  <Form> (306)
Free Base

>  <URL> (306)
http://www.selleckchem.com/products/cyclamic-acid.html

>  <CAS Number> (306)
100-88-9

$$$$
TSU-68 (SU6668).cdx
csChFnd80/02221609172D

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353

>  <Formula> (307)
C18H18N2O3

>  <MolWeight> (307)
310.34712

>  <Item Name> (307)
TSU-68

>  <Catalog Number> (307)
S1470

>  <Synonyms> (307)
SU6668

>  <Target> (307)
VEGFR, PDGFR , FGFR 

>  <Form> (307)
Free Base

>  <URL> (307)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (307)
252916-29-3

$$$$
FCE28073.cdx
csChFnd80/02221609172D

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354

>  <Formula> (308)
C18H23FN2O5S

>  <MolWeight> (308)
398.4490232

>  <Item Name> (308)
Safinamide Mesylate (FCE28073)

>  <Catalog Number> (308)
S1472

>  <Synonyms> (308)
FCE-28073(R-isomer), PNU-151774E, NW-1015 

>  <Target> (308)
MAO

>  <Form> (308)
Mesylate

>  <URL> (308)
http://www.selleckchem.com/products/Safinamide-mesilate.html

>  <CAS Number> (308)
202825-46-5

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GSK429286A.cdx
csChFnd80/02221609172D

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355

>  <Formula> (309)
C21H16F4N4O2

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432.3709528

>  <Item Name> (309)
GSK429286A

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S1474

>  <Synonyms> (309)
N/A

>  <Target> (309)
ROCK 

>  <Form> (309)
Free Base

>  <URL> (309)
http://www.selleckchem.com/products/GSK429286A.html

>  <CAS Number> (309)
864082-47-3

$$$$
AS-703026.cdx
csChFnd80/02221609172D

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C15H15FIN3O3

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AS703026

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S1475

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N/A

>  <Target> (310)
MEK 

>  <Form> (310)
Free Base

>  <URL> (310)
http://www.selleckchem.com/products/AS703026.html

>  <CAS Number> (310)
1236699-92-5

$$$$
SB525334.cdx
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TGF-beta/Smad

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>  <URL> (311)
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356559-20-1

$$$$
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ATPase

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Free Base

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http://www.selleckchem.com/products/Oligomycin-A.html

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579-13-5

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HCV Protease

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>  <URL> (313)
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1026785-55-6

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167465-36-3

$$$$
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Daclatasvir (BMS-790052)

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S1482

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N/A

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HCV Protease

>  <Form> (315)
Free Base

>  <URL> (315)
http://www.selleckchem.com/products/BMS-790052.html

>  <CAS Number> (315)
1009119-64-5

$$$$
Iloperidone.cdx
csChFnd80/02221609172D

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S1483

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Fanapta, Zomaril 

>  <Target> (316)
Others

>  <Form> (316)
Free Base

>  <URL> (316)
http://www.selleckchem.com/products/Iloperidone(Fanapt).html

>  <CAS Number> (316)
133454-47-4

$$$$
MC-1568.cdx
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HDAC 

>  <Form> (317)
Free Base

>  <URL> (317)
http://www.selleckchem.com/products/MC1568.html

>  <CAS Number> (317)
852475-26-4

$$$$
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S1485

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N/A

>  <Target> (318)
PLK 

>  <Form> (318)
Free Base

>  <URL> (318)
http://www.selleckchem.com/products/HMN-214.html

>  <CAS Number> (318)
173529-46-9 

$$$$
AEE-788.cdx
csChFnd80/02221609172D

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C27H32N6

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AEE788 (NVP-AEE788)

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S1486

>  <Synonyms> (319)
N/A 

>  <Target> (319)
EGFR, Flt, VEGFR, HER2

>  <Form> (319)
Free Base

>  <URL> (319)
http://www.selleckchem.com/products/AEE788.html

>  <CAS Number> (319)
497839-62-0

$$$$
PHA-793887.cdx
csChFnd80/02221609172D

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366

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C19H31N5O2

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PHA-793887

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S1487

>  <Synonyms> (320)
N/A

>  <Target> (320)
CDK

>  <Form> (320)
Free Base

>  <URL> (320)
http://www.selleckchem.com/products/PHA-793887.html

>  <CAS Number> (320)
718630-59-2

$$$$
Naratriptan Hydrochloride.cdx
csChFnd80/02221609172D

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367

>  <Formula> (321)
C17H26ClN3O2S

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

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S1488 

>  <Synonyms> (321)
Amerge, Naramig

>  <Target> (321)
5-HT Receptor

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/Naratriptan(Amerge).html

>  <CAS Number> (321)
143388-64-1

$$$$

csChFnd80/02221609172D

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368

>  <Formula> (322)
C14H16ClN3O4S2

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>  <Item Name> (322)
PIK-93

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S1489

>  <Synonyms> (322)
N/A

>  <Target> (322)
PI3K, VEGFR

>  <Form> (322)
Free Base

>  <URL> (322)
http://www.selleckchem.com/products/PIK-93.html

>  <CAS Number> (322)
593960-11-3

$$$$
AP24534.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (323)
369

>  <Formula> (323)
C29H27F3N6O

>  <MolWeight> (323)
532.5594896

>  <Item Name> (323)
Ponatinib (AP24534)

>  <Catalog Number> (323)
S1490

>  <Synonyms> (323)
N/A 

>  <Target> (323)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (323)
Free Base

>  <URL> (323)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (323)
943319-70-8

$$$$
Fludarabine.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (324)
370

>  <Formula> (324)
C10H12FN5O4

>  <MolWeight> (324)
285.2317832

>  <Item Name> (324)
Fludarabine (Fludara)

>  <Catalog Number> (324)
S1491

>  <Synonyms> (324)
F-ara-A, NSC 118218 

>  <Target> (324)
STAT, DNA/RNA Synthesis

>  <Form> (324)
Free Base

>  <URL> (324)
http://www.selleckchem.com/products/Fludarabine(Fludara).html

>  <CAS Number> (324)
21679-14-1

$$$$
LY2228820.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (325)
371

>  <Formula> (325)
C26H37FN6O6S2

>  <MolWeight> (325)
612.7369832

>  <Item Name> (325)
LY2228820

>  <Catalog Number> (325)
S1494

>  <Synonyms> (325)
N/A

>  <Target> (325)
p38 MAPK

>  <Form> (325)
Mesylate

>  <URL> (325)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (325)
862507-23-1

$$$$
CELESTONE (betamethasone).cdx
csChFnd80/02221609172D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (326)
374

>  <Formula> (326)
C22H29FO5

>  <MolWeight> (326)
392.4610632

>  <Item Name> (326)
Betamethasone (Celestone)

>  <Catalog Number> (326)
S1500

>  <Synonyms> (326)
Celestone, Betadexamethasone, Flubenisolone, Sch-4831, NCS-39470 

>  <Target> (326)
Others

>  <Form> (326)
Free Base

>  <URL> (326)
http://www.selleckchem.com/products/Betamethasone-(Celestone).html

>  <CAS Number> (326)
378-44-9

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/02221609172D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   14.2535    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4617    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    4.1951    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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 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
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 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (327)
375

>  <Formula> (327)
C23H31NO7

>  <MolWeight> (327)
433.49474

>  <Item Name> (327)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (327)
S1501

>  <Synonyms> (327)
CellCept, RS 61443, TM-MMF

>  <Target> (327)
Others

>  <Form> (327)
Free Base

>  <URL> (327)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (327)
128794-94-5

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/02221609172D

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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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13  5  1  0  0  0  0
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 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (328)
376

>  <Formula> (328)
C10H14N4O4

>  <MolWeight> (328)
254.24256

>  <Item Name> (328)
Dyphylline (Dilor)

>  <Catalog Number> (328)
S1504

>  <Synonyms> (328)
Neothylline, Lufyllin, diprophylline

>  <Target> (328)
PDE

>  <Form> (328)
Free Base

>  <URL> (328)
http://www.selleckchem.com/products/Dyphylline(Dilor).html

>  <CAS Number> (328)
479-18-5

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/02221609172D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.5792    3.3765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  8 10  2  0  0  0  0
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 14 15  1  0  0  0  0
 15  5  1  0  0  0  0
 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (329)
377

>  <Formula> (329)
C13H17N5O8S2

>  <MolWeight> (329)
435.43278

>  <Item Name> (329)
Aztreonam (Azactam, Cayston)

>  <Catalog Number> (329)
S1505

>  <Synonyms> (329)
Monobactam, SQ 26776, Squibb 26776 

>  <Target> (329)
Others

>  <Form> (329)
Free Base

>  <URL> (329)
http://www.selleckchem.com/products/Aztreonam(Azactam).html

>  <CAS Number> (329)
78110-38-0

$$$$
CIALIS (tadalafil).cdx
csChFnd80/02221609172D

 30 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.8157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (330)
381

>  <Formula> (330)
C22H19N3O4

>  <MolWeight> (330)
389.40396

>  <Item Name> (330)
Tadalafil (Cialis)

>  <Catalog Number> (330)
S1512

>  <Synonyms> (330)
IC 351

>  <Target> (330)
PDE

>  <Form> (330)
Free Base

>  <URL> (330)
http://www.selleckchem.com/products/Tadalafil(Cialis).html

>  <CAS Number> (330)
171596-29-5

$$$$
NEORAL (cyclosporine).cdx
csChFnd80/02221609172D

 85 85  0  0  0  0  0  0  0  0999 V2000
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79217-60-0

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HDAC

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Free Base

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http://www.selleckchem.com/products/SB939.html

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929016-96-6

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Aurora Kinase

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942947-93-5

$$$$
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844442-38-2

$$$$
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955365-80-7

$$$$
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   15.3746    7.3022    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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M  END
>  <Mol_ID> (342)
397

>  <Formula> (342)
C27H28N4O2

>  <MolWeight> (342)
440.53682

>  <Item Name> (342)
BIX 02189

>  <Catalog Number> (342)
S1531

>  <Synonyms> (342)
N/A

>  <Target> (342)
MEK 

>  <Form> (342)
Free Base

>  <URL> (342)
http://www.selleckchem.com/products/BIX-02189.html

>  <CAS Number> (342)
1094614-85-3

$$$$
Milnacipran hydrochloride.cdx
csChFnd80/02221609172D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (343)
398

>  <Formula> (343)
C15H23ClN2O

>  <MolWeight> (343)
282.80892

>  <Item Name> (343)
Milnacipran HCl

>  <Catalog Number> (343)
S3140

>  <Synonyms> (343)
N/A

>  <Target> (343)
Others

>  <Form> (343)
HCl

>  <URL> (343)
http://www.selleckchem.com/products/milnacipran-hydrochloride.html

>  <CAS Number> (343)
101152-94-7

$$$$
Darifenacin hydrobromide.cdx
csChFnd80/02221609172D

 33 36  0  0  0  0  0  0  0  0999 V2000
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   10.3814    4.0536    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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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (344)
399

>  <Formula> (344)
C28H31BrN2O2

>  <MolWeight> (344)
507.46194

>  <Item Name> (344)
Darifenacin HBr

>  <Catalog Number> (344)
S3144

>  <Synonyms> (344)
N/A 

>  <Target> (344)
AChR

>  <Form> (344)
HBr

>  <URL> (344)
http://www.selleckchem.com/products/darifenacin-hydrobromide.html

>  <CAS Number> (344)
133099-07-7

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/02221609172D

 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
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M  END
>  <Mol_ID> (345)
400

>  <Formula> (345)
C16H22ClN3

>  <MolWeight> (345)
291.81898

>  <Item Name> (345)
Tripelennamine HCl

>  <Catalog Number> (345)
S3146

>  <Synonyms> (345)
N/A 

>  <Target> (345)
Histamine Receptor

>  <Form> (345)
HCl

>  <URL> (345)
http://www.selleckchem.com/products/tripelennamine-hydrochloride.html

>  <CAS Number> (345)
154-69-8

$$$$
2-Thiouracil.cdx
csChFnd80/02221609172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  8  1  0  0  0  0
M  END
>  <Mol_ID> (346)
401

>  <Formula> (346)
C4H4N2OS

>  <MolWeight> (346)
128.15236

>  <Item Name> (346)
2-Thiouracil

>  <Catalog Number> (346)
S3100

>  <Synonyms> (346)
N/A 

>  <Target> (346)
Others

>  <Form> (346)
Free Base

>  <URL> (346)
http://www.selleckchem.com/products/2-thiouracil.html

>  <CAS Number> (346)
141-90-2

$$$$
AZD7762.cdx
csChFnd80/02221609172D

 25 27  0  0  0  0  0  0  0  0999 V2000
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Syk 

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Free Base

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http://www.selleckchem.com/products/R406(free-base).html

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841290-80-0

$$$$
DMXAA.cdx
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117570-53-3

$$$$
Febuxostat.cdx
csChFnd80/02221609172D

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Adenuric

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Free Base

>  <URL> (350)
http://www.selleckchem.com/products/Febuxostat(Uloric).html

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144060-53-7

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/02221609172D

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461432-26-8

$$$$
Pimobendan.cdx
csChFnd80/02221609172D

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    0.0000    4.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    6.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  2  0  0  0  0
 11 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 11  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 24  2  0  0  0  0
 12 25  1  0  0  0  0
M  END
>  <Mol_ID> (352)
408

>  <Formula> (352)
C19H18N4O2

>  <MolWeight> (352)
334.37182

>  <Item Name> (352)
Pimobendan (Vetmedin)

>  <Catalog Number> (352)
S1550

>  <Synonyms> (352)
Acardi, pimobendane

>  <Target> (352)
PDE

>  <Form> (352)
Free Base

>  <URL> (352)
http://www.selleckchem.com/products/Pimobendan(Vetmedin).html

>  <CAS Number> (352)
74150-27-9

$$$$
Azelastine hydrochloride.cdx
csChFnd80/02221609172D

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    2.4249    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
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 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
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 12  1  0  0  0  0
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M  END
>  <Mol_ID> (353)
410

>  <Formula> (353)
C22H25Cl2N3O

>  <MolWeight> (353)
418.3594

>  <Item Name> (353)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (353)
S2552 

>  <Synonyms> (353)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (353)
Histamine Receptor

>  <Form> (353)
Hydrochloride

>  <URL> (353)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (353)
79307-93-0

$$$$
Clarithromycin.cdx
csChFnd80/02221609172D

 52 54  0  0  0  0  0  0  0  0999 V2000
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 30 36  1  1  0  0  0
 28 37  1  1  0  0  0
 35 38  1  0  0  0  0
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 45 40  1  0  0  0  0
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 50 51  1  0  0  0  0
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 24 52  1  0  0  0  0
M  END
>  <Mol_ID> (354)
411

>  <Formula> (354)
C38H69NO13

>  <MolWeight> (354)
747.95336

>  <Item Name> (354)
Clarithromycin (Biaxin, Klacid)

>  <Catalog Number> (354)
S2555

>  <Synonyms> (354)
Crixan, Klaricid, Klabax, Claripen, Clarem, Claridar, Fromilid, Clacid, Clacee, Vikrol, Infex, Clari 

>  <Target> (354)
P450

>  <Form> (354)
Free Base

>  <URL> (354)
http://www.selleckchem.com/products/clarithromycin.html

>  <CAS Number> (354)
81103-11-9

$$$$
AZD 8055.cdx
csChFnd80/02221609172D

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49843-98-3

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1191951-57-1

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csChFnd80/02221609172D

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Sodium

>  <URL> (358)
http://www.selleckchem.com/products/ampicillin-sodium.html

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69-52-3

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286370-15-8

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M  END
>  <Mol_ID> (365)
424

>  <Formula> (365)
C21H21NO2S

>  <MolWeight> (365)
351.46194

>  <Item Name> (365)
Tazarotene (Avage)

>  <Catalog Number> (365)
S1569

>  <Synonyms> (365)
Tazorac, Avage, Zora

>  <Target> (365)
Others

>  <Form> (365)
Free Base

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

>  <CAS Number> (365)
118292-40-3

$$$$
KU-60019.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (366)
425

>  <Formula> (366)
C30H33N3O5S

>  <MolWeight> (366)
547.66512

>  <Item Name> (366)
KU-60019

>  <Catalog Number> (366)
S1570

>  <Synonyms> (366)
N/A

>  <Target> (366)
ATM 

>  <Form> (366)
Free Base

>  <URL> (366)
http://www.selleckchem.com/products/KU-60019.html

>  <CAS Number> (366)
925701-49-1

$$$$
BS-181.cdx
csChFnd80/02221609172D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (367)
427

>  <Formula> (367)
C22H33ClN6

>  <MolWeight> (367)
416.99062

>  <Item Name> (367)
BS-181 HCl

>  <Catalog Number> (367)
S1572

>  <Synonyms> (367)
N/A

>  <Target> (367)
CDK 

>  <Form> (367)
Hydrochloride

>  <URL> (367)
http://www.selleckchem.com/products/BS-181.html

>  <CAS Number> (367)
1397219-81-6

$$$$
Fasudil HCl.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (368)
428

>  <Formula> (368)
C14H18ClN3O2S

>  <MolWeight> (368)
327.82962

>  <Item Name> (368)
Fasudil HCl (HA-1077)

>  <Catalog Number> (368)
S1573

>  <Synonyms> (368)
AT-877 

>  <Target> (368)
ROCK

>  <Form> (368)
Hydrochloride

>  <URL> (368)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (368)
105628-07-7

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (369)
429

>  <Formula> (369)
C31H37N5O3

>  <MolWeight> (369)
527.65718

>  <Item Name> (369)
BIRB 796 (Doramapimod)

>  <Catalog Number> (369)
S1574

>  <Synonyms> (369)
N/A

>  <Target> (369)
p38 MAPK

>  <Form> (369)
Free Base

>  <URL> (369)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (369)
285983-48-4

$$$$
RO4929097.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (370)
430

>  <Formula> (370)
C22H20F5N3O3

>  <MolWeight> (370)
469.404516

>  <Item Name> (370)
RO4929097

>  <Catalog Number> (370)
S1575

>  <Synonyms> (370)
RO-4929097

>  <Target> (370)
Y-Secretase

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/RO4929097.html

>  <CAS Number> (370)
847925-91-1

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/02221609172D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (371)
431

>  <Formula> (371)
C26H21N3O2S

>  <MolWeight> (371)
439.52884

>  <Item Name> (371)
Tie2 kinase inhibitor

>  <Catalog Number> (371)
S1577

>  <Synonyms> (371)
N/A

>  <Target> (371)
Tie-2

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

>  <CAS Number> (371)
948557-43-5

$$$$
Candesartan.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (372)
432

>  <Formula> (372)
C24H20N6O3

>  <MolWeight> (372)
440.454

>  <Item Name> (372)
Candesartan (Atacand)

>  <Catalog Number> (372)
S1578

>  <Synonyms> (372)
Atacand, Blopress, Amias, Ratacand

>  <Target> (372)
RAAS

>  <Form> (372)
Free Base

>  <URL> (372)
http://www.selleckchem.com/products/Candesartan(Atacand).html

>  <CAS Number> (372)
139481-59-7

$$$$
Altrenogest.cdx
csChFnd80/02221609172D

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Estrogen/progestogen Receptor

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Free Base

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

>  <CAS Number> (373)
850-52-2

$$$$
Apixaban.cdx
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C25H25N5O4

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S1593

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N/A

>  <Target> (374)
Factor Xa 

>  <Form> (374)
Free Base

>  <URL> (374)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

>  <CAS Number> (374)
503612-47-3

$$$$
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Gamma-secretase

>  <Form> (375)
Free Base

>  <URL> (375)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

>  <CAS Number> (375)
425386-60-3

$$$$
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M  END
>  <Mol_ID> (376)
440

>  <Formula> (376)
C33H40N2O9

>  <MolWeight> (376)
608.6787

>  <Item Name> (376)
Reserpine

>  <Catalog Number> (376)
S1601

>  <Synonyms> (376)
N/A

>  <Target> (376)
Others

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/Reserpine.html

>  <CAS Number> (376)
50-55-5

$$$$

csChFnd80/02221609172D

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M  END
>  <Mol_ID> (377)
441

>  <Formula> (377)
C27H30Cl2F2N6O

>  <MolWeight> (377)
563.4695064

>  <Item Name> (377)
NVP-BSK805 2HCl

>  <Catalog Number> (377)
S2686 

>  <Synonyms> (377)
N/A

>  <Target> (377)
JAK

>  <Form> (377)
HCl

>  <URL> (377)
http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (377)
1092499-93-8 (free base)

$$$$
Furosemide.cdx
csChFnd80/02221609172D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21  9  1  0  0  0  0
M  END
>  <Mol_ID> (378)
442

>  <Formula> (378)
C12H11ClN2O5S

>  <MolWeight> (378)
330.74414

>  <Item Name> (378)
Furosemide (Lasix)

>  <Catalog Number> (378)
S1603

>  <Synonyms> (378)
Lasix, Frusemide

>  <Target> (378)
Others

>  <Form> (378)
Free Base

>  <URL> (378)
http://www.selleckchem.com/products/Furosemide(Lasix).html

>  <CAS Number> (378)
54-31-9

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/02221609172D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  3  9  1  0  0  0  0
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  1 15  1  6  0  0  0
  7 16  1  6  0  0  0
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 17 18  1  0  0  0  0
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 27 21  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (379)
443

>  <Formula> (379)
C14H13N5O5S2

>  <MolWeight> (379)
395.41352

>  <Item Name> (379)
Cefdinir (Omnicef)

>  <Catalog Number> (379)
S1605

>  <Synonyms> (379)
FK-482, BMY-28488, PD 134393, CI-983 

>  <Target> (379)
Others

>  <Form> (379)
Free Base

>  <URL> (379)
http://www.selleckchem.com/products/Cefdinir(Omnicef).html

>  <CAS Number> (379)
91832-40-5

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/02221609172D

 25 28  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  8  1  0  0  0  0
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M  END
>  <Mol_ID> (380)
444

>  <Formula> (380)
C22H17ClN2

>  <MolWeight> (380)
344.83678

>  <Item Name> (380)
Clotrimazole (Canesten)

>  <Catalog Number> (380)
S1606

>  <Synonyms> (380)
Lotrimin, Mycelex, Canesten

>  <Target> (380)
Others

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/Clotrimazole(Canesten).html

>  <CAS Number> (380)
23593-75-1

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/02221609172D

 14 13  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.4463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (381)
446

>  <Formula> (381)
C9H13BrN2O2

>  <MolWeight> (381)
261.11572

>  <Item Name> (381)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (381)
S1608

>  <Synonyms> (381)
Mestinon, Regonol

>  <Target> (381)
Others

>  <Form> (381)
Bromide

>  <URL> (381)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (381)
101-26-8

$$$$
METHIMAZOLE (methimazole).cdx
csChFnd80/02221609172D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.8326    3.5495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    2.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.7869    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (382)
447

>  <Formula> (382)
C4H6N2S

>  <MolWeight> (382)
114.16884

>  <Item Name> (382)
Methimazole (Tapazole, Northyx)

>  <Catalog Number> (382)
S1609

>  <Synonyms> (382)
Basolan, Metazolo, Thiamazole

>  <Target> (382)
Others

>  <Form> (382)
Free Base

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

>  <CAS Number> (382)
60-56-0

$$$$
METOLAZONE (metolazone).cdx
csChFnd80/02221609172D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0580    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 S   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
    1.9124    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  7 16  2  0  0  0  0
  9 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (383)
448

>  <Formula> (383)
C16H16ClN3O3S

>  <MolWeight> (383)
365.83454

>  <Item Name> (383)
Metolazone (Zaroxolyn)

>  <Catalog Number> (383)
S1610

>  <Synonyms> (383)
Mykrox, Zaroxolyn, Diulo

>  <Target> (383)
Others

>  <Form> (383)
Free Base

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

>  <CAS Number> (383)
17560-51-9

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/02221609172D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8059    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2040    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8059    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1582    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5096    5.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8610    5.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  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
 14 19  1  1  0  0  0
 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 23 24  1  0  0  0  0
 19 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 19  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  9 33  1  1  0  0  0
 11 34  1  6  0  0  0
M  END
>  <Mol_ID> (384)
449

>  <Formula> (384)
C29H35NO2

>  <MolWeight> (384)
429.5937

>  <Item Name> (384)
Mifepristone (Mifeprex)

>  <Catalog Number> (384)
S2606

>  <Synonyms> (384)
RU-486, Mifegyne 

>  <Target> (384)
Estrogen/progestogen Receptor

>  <Form> (384)
Free Base

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

>  <CAS Number> (384)
84371-65-3

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/02221609172D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0908    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6033    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908    0.8876    0.0000 F   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
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  5 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
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (385)
450

>  <Formula> (385)
C8H5F3N2OS

>  <MolWeight> (385)
234.1983096

>  <Item Name> (385)
Riluzole (Rilutek)

>  <Catalog Number> (385)
S1614

>  <Synonyms> (385)
PK-26124, RP-54274, Rilutek

>  <Target> (385)
Sodium Channel

>  <Form> (385)
Free Base

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

>  <CAS Number> (385)
1744-22-5

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/02221609172D

 30 34  0  0  0  0  0  0  0  0999 V2000
   12.6402    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6402    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0651    4.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0651    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    6.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    6.5761    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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 29 23  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (386)
451

>  <Formula> (386)
C23H27FN4O2

>  <MolWeight> (386)
410.4844832

>  <Item Name> (386)
Risperidone (Risperdal)

>  <Catalog Number> (386)
S1615

>  <Synonyms> (386)
R 64 766, Risperdal

>  <Target> (386)
5-HT Receptor

>  <Form> (386)
Free Base

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

>  <CAS Number> (386)
106266-06-2

$$$$
Artemether.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (387)
452

>  <Formula> (387)
C16H26O5

>  <MolWeight> (387)
298.37464

>  <Item Name> (387)
Artemether

>  <Catalog Number> (387)
S2264

>  <Synonyms> (387)
SM-224, CGP 56696

>  <Target> (387)
Others

>  <Form> (387)
Free Base

>  <URL> (387)
http://www.selleckchem.com/products/Artemether(SM-224).html

>  <CAS Number> (387)
71963-77-4

$$$$
SULLA (sulfameter).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (388)
453

>  <Formula> (388)
C11H12N4O3S

>  <MolWeight> (388)
280.30298

>  <Item Name> (388)
Sulfameter (Bayrena)

>  <Catalog Number> (388)
S1618

>  <Synonyms> (388)
Sulfamethoxydiazine, Sulfametin, Sulfametorine, Sulfamethoxine, AHR-857, Berlicid 

>  <Target> (388)
Others

>  <Form> (388)
Free Base

>  <URL> (388)
http://www.selleckchem.com/products/Sulfameter(Bayrena).html

>  <CAS Number> (388)
651-06-9

$$$$
Prilocaine.cdx
csChFnd80/02221609172D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (389)
454

>  <Formula> (389)
C13H20N2O

>  <MolWeight> (389)
220.3107

>  <Item Name> (389)
Prilocaine

>  <Catalog Number> (389)
S1619

>  <Synonyms> (389)
N/A

>  <Target> (389)
Others

>  <Form> (389)
Free Base

>  <URL> (389)
http://www.selleckchem.com/products/Prilocaine.html

>  <CAS Number> (389)
721-50-6

$$$$
FERNISONE (prednisone).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (390)
455

>  <Formula> (390)
C21H26O5

>  <MolWeight> (390)
358.42814

>  <Item Name> (390)
Prednisone (Adasone)

>  <Catalog Number> (390)
S1622

>  <Synonyms> (390)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (390)
Others

>  <Form> (390)
Free Base

>  <URL> (390)
http://www.selleckchem.com/products/Prednisone.html

>  <CAS Number> (390)
53-03-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/02221609172D

 11 10  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (391)
456

>  <Formula> (391)
C5H9NO3S

>  <MolWeight> (391)
163.19486

>  <Item Name> (391)
Acetylcysteine

>  <Catalog Number> (391)
S1623

>  <Synonyms> (391)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (391)
AChR

>  <Form> (391)
Free Base

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

>  <CAS Number> (391)
616-91-1

$$$$
ALESSE (ethinyl estradiol).cdx
csChFnd80/02221609172D

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  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
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
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 17 24  1  6  0  0  0
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M  END
>  <Mol_ID> (392)
458

>  <Formula> (392)
C20H24O2

>  <MolWeight> (392)
296.40336

>  <Item Name> (392)
Ethinyl Estradiol

>  <Catalog Number> (392)
S1625

>  <Synonyms> (392)
Ethynylestradiol

>  <Target> (392)
Others

>  <Form> (392)
Free Base

>  <URL> (392)
http://www.selleckchem.com/products/Ethinyl-Estradiol.html

>  <CAS Number> (392)
57-63-6

$$$$
Naproxen sodium.cdx
csChFnd80/02221609172D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    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
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  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> (393)
459

>  <Formula> (393)
C14H13NaO3

>  <MolWeight> (393)
252.24099

>  <Item Name> (393)
Naproxen Sodium

>  <Catalog Number> (393)
S1626

>  <Synonyms> (393)
Anaprox, Naprelan 

>  <Target> (393)
COX

>  <Form> (393)
Sodium

>  <URL> (393)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (393)
26159-34-2

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/02221609172D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2040    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 O   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
    1.2082    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3999    4.1899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.7555    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5167    6.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3852    5.9938    0.0000 O   0  5  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
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 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
 18 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (394)
460

>  <Formula> (394)
C12H9N3O5S

>  <MolWeight> (394)
307.28196

>  <Item Name> (394)
Nitazoxanide (Alinia, Annita)

>  <Catalog Number> (394)
S1627

>  <Synonyms> (394)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (394)
Others

>  <Form> (394)
Free Base

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

>  <CAS Number> (394)
55981-09-4

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/02221609172D

 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
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   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 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> (395)
461

>  <Formula> (395)
C24H31FO6

>  <MolWeight> (395)
434.4977432

>  <Item Name> (395)
Triamcinolone Acetonide

>  <Catalog Number> (395)
S1628

>  <Synonyms> (395)
Azmacort

>  <Target> (395)
Others

>  <Form> (395)
Free Base

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

>  <CAS Number> (395)
76-25-5 

$$$$
ALLI (orlistat).cdx
csChFnd80/02221609172D

 35 35  0  0  0  0  0  0  0  0999 V2000
    7.0267    6.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267    5.3121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4316    5.3121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4316    6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    7.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4216    4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7739    4.6845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1362    6.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4885    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8508    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2031    8.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5655    9.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9178    9.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2801   11.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6324   11.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9948   12.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3471   13.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7094   14.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7638    3.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1161    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4785    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1061    3.0669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4015    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3914    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7437    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4583    3.4293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4483    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8006    2.8017    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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  1  5  2  0  0  0  0
  3  6  1  1  0  0  0
  2  7  1  6  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 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
 13 25  1  6  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (396)
462

>  <Formula> (396)
C29H53NO5

>  <MolWeight> (396)
495.73482

>  <Item Name> (396)
Orlistat (Alli, Xenical)

>  <Catalog Number> (396)
S1629

>  <Synonyms> (396)
Tetrahydrolipstatin

>  <Target> (396)
Others

>  <Form> (396)
Free Base

>  <URL> (396)
http://www.selleckchem.com/products/Orlistat(Alli).html

>  <CAS Number> (396)
96829-58-2

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/02221609172D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 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
    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
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    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  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (397)
463

>  <Formula> (397)
C5H4N4O

>  <MolWeight> (397)
136.11146

>  <Item Name> (397)
Allopurinol (Zyloprim)

>  <Catalog Number> (397)
S1630

>  <Synonyms> (397)
Aloprim

>  <Target> (397)
Others

>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/Allopurinol(Zyloprim).html

>  <CAS Number> (397)
315-30-0

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/02221609172D

 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> (398)
464

>  <Formula> (398)
C5H4N4NaO+

>  <MolWeight> (398)
159.10123

>  <Item Name> (398)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (398)
S1631

>  <Synonyms> (398)
 Lopurin, Zyloprim, Aloprim

>  <Target> (398)
Others

>  <Form> (398)
Sodium Salt

>  <URL> (398)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

>  <CAS Number> (398)
17795-21-0

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/02221609172D

 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
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 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> (399)
465

>  <Formula> (399)
C31H33N3O6S

>  <MolWeight> (399)
575.67522

>  <Item Name> (399)
Zafirlukast (Accolate)

>  <Catalog Number> (399)
S1633

>  <Synonyms> (399)
Accolate, Accoleit, Vanticon

>  <Target> (399)
Others

>  <Form> (399)
Free Base

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

>  <CAS Number> (399)
107753-78-6

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/02221609172D

 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> (400)
468

>  <Formula> (400)
C13H18O2

>  <MolWeight> (400)
206.28082

>  <Item Name> (400)
Ibuprofen (Advil)

>  <Catalog Number> (400)
S1638

>  <Synonyms> (400)
Brufen, Nurofen, Motrin 

>  <Target> (400)
COX

>  <Form> (400)
Free Base

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

>  <CAS Number> (400)
15687-27-1

$$$$
ALBENZA (albendazole).cdx
csChFnd80/02221609172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 S   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 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
   10.8073    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5049    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000    2.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5976    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.8165    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  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 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
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (401)
469

>  <Formula> (401)
C12H15N3O2S

>  <MolWeight> (401)
265.3314

>  <Item Name> (401)
Albendazole (Albenza)

>  <Catalog Number> (401)
S1640

>  <Synonyms> (401)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (401)
Others

>  <Form> (401)
Free Base

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

>  <CAS Number> (401)
54965-21-8

$$$$
ALDOCLOR-250 (chlorothiazide).cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7580    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  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
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 15  2  0  0  0  0
  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
M  END
>  <Mol_ID> (402)
470

>  <Formula> (402)
C7H6ClN3O4S2

>  <MolWeight> (402)
295.72324

>  <Item Name> (402)
Chlorothiazide

>  <Catalog Number> (402)
S1641

>  <Synonyms> (402)
Diuril, Chlotride

>  <Target> (402)
Others

>  <Form> (402)
Free Base

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

>  <CAS Number> (402)
58-94-6

$$$$
ACTIGALL (ursodiol).cdx
csChFnd80/02221609172D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    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    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3896    6.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500    5.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7065    6.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669    5.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
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  4 19  1  1  0  0  0
  8 20  1  1  0  0  0
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 12 22  1  1  0  0  0
  2 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
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 30 32  2  0  0  0  0
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M  END
>  <Mol_ID> (403)
472

>  <Formula> (403)
C24H40O4

>  <MolWeight> (403)
392.572

>  <Item Name> (403)
Ursodiol (Actigal Urso)

>  <Catalog Number> (403)
S1643

>  <Synonyms> (403)
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv 

>  <Target> (403)
Others

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/Ursodiol(Actigal).html

>  <CAS Number> (403)
128-13-2

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/02221609172D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (404)
473

>  <Formula> (404)
C6H6N4O4

>  <MolWeight> (404)
198.13624

>  <Item Name> (404)
Nitrofurazone (Nitrofural)

>  <Catalog Number> (404)
S1644

>  <Synonyms> (404)
Nitrofural, Furacilin, ACTIN-N, Otofuran 

>  <Target> (404)
Others

>  <Form> (404)
Free Base

>  <URL> (404)
http://www.selleckchem.com/products/Nitrofurazone(ACTIN-N).html

>  <CAS Number> (404)
59-87-0

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/02221609172D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (405)
474

>  <Formula> (405)
C16H14O3

>  <MolWeight> (405)
254.28056

>  <Item Name> (405)
Ketoprofen (Actron)

>  <Catalog Number> (405)
S1645

>  <Synonyms> (405)
Orudis, Oruvail 

>  <Target> (405)
COX

>  <Form> (405)
Free Base

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

>  <CAS Number> (405)
22071-15-4

$$$$
Adenosine.cdx
csChFnd80/02221609172D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    1.7608    0.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6937    5.1733    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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  3  4  1  0  0  0  0
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 14  7  1  0  0  0  0
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 18 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (406)
475

>  <Formula> (406)
C10H13N5O4

>  <MolWeight> (406)
267.24132

>  <Item Name> (406)
Adenosine (Adenocard)

>  <Catalog Number> (406)
S1647

>  <Synonyms> (406)
Adenocard

>  <Target> (406)
Others

>  <Form> (406)
Free Base

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

>  <CAS Number> (406)
58-61-7

$$$$
Artemisinin.cdx
csChFnd80/02221609172D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.9027    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  5  1  0  0  0  0
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 21 22  1  0  0  0  0
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M  END
>  <Mol_ID> (407)
476

>  <Formula> (407)
C15H22O5

>  <MolWeight> (407)
282.33218

>  <Item Name> (407)
Artemisinin

>  <Catalog Number> (407)
S1282

>  <Synonyms> (407)
Qinghaosu

>  <Target> (407)
Others

>  <Form> (407)
Free Base

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

>  <CAS Number> (407)
63968-64-9

$$$$
Artesunate.cdx
csChFnd80/02221609172D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (408)
477

>  <Formula> (408)
C19H28O8

>  <MolWeight> (408)
384.42082

>  <Item Name> (408)
Artesunate

>  <Catalog Number> (408)
S2265

>  <Synonyms> (408)
N/A

>  <Target> (408)
Others

>  <Form> (408)
Free Base

>  <URL> (408)
http://www.selleckchem.com/products/Artesunate.html

>  <CAS Number> (408)
88495-63-0

$$$$
AT101.cdx
csChFnd80/02221609172D

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M  CFW  18 BOND_GSTEREO 5
M  END
>  <Mol_ID> (409)
478

>  <Formula> (409)
C32H34O10

>  <MolWeight> (409)
578.60636

>  <Item Name> (409)
AT101

>  <Catalog Number> (409)
S2812

>  <Synonyms> (409)
N/A

>  <Target> (409)
Bcl-2

>  <Form> (409)
Free Base

>  <URL> (409)
http://www.selleckchem.com/products/at101.html

>  <CAS Number> (409)
866541-93-7

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/02221609172D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (410)
480

>  <Formula> (410)
C16H21N3O2

>  <MolWeight> (410)
287.35684

>  <Item Name> (410)
Zolmitriptan (Zomig)

>  <Catalog Number> (410)
S1649

>  <Synonyms> (410)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (410)
Others

>  <Form> (410)
Free Base

>  <URL> (410)
http://www.selleckchem.com/products/Zolmitriptan(Zomig).html

>  <CAS Number> (410)
139264-17-8

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (411)
481

>  <Formula> (411)
C10H14N2O5

>  <MolWeight> (411)
242.22856

>  <Item Name> (411)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (411)
S1651

>  <Synonyms> (411)
N/A

>  <Target> (411)
Others

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

>  <CAS Number> (411)
3424-98-4

$$$$
BENOQUIN (monobenzone).cdx
csChFnd80/02221609172D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (412)
482

>  <Formula> (412)
C13H12O2

>  <MolWeight> (412)
200.23318

>  <Item Name> (412)
Monobenzone (Benoquin)

>  <Catalog Number> (412)
S1652

>  <Synonyms> (412)
Benoquin

>  <Target> (412)
Others

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/Monobenzone(Benoquin).html

>  <CAS Number> (412)
103-16-2

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (413)
483

>  <Formula> (413)
C20H28O2

>  <MolWeight> (413)
300.43512

>  <Item Name> (413)
All-trans Retinoic Acid (Tretinoin)

>  <Catalog Number> (413)
S1653

>  <Synonyms> (413)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (413)
Others

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

>  <CAS Number> (413)
302-79-4

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/02221609172D

 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
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    2.4116    5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  2  7  1  0  0  0  0
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 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> (414)
484

>  <Formula> (414)
C19H20N2O2

>  <MolWeight> (414)
308.3743

>  <Item Name> (414)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (414)
S1654

>  <Synonyms> (414)
Bute, Butazolidin, Butatron 

>  <Target> (414)
Others

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/Phenylbutazone(Butazolidin).html

>  <CAS Number> (414)
50-33-9

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/02221609172D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1049    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.0827    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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 11  1  0  0  0  0
  8 15  1  1  0  0  0
 11 10  1  6  0  0  0
 12 16  2  0  0  0  0
 13 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 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 14 24  1  1  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (415)
485

>  <Formula> (415)
C24H21F2NO3

>  <MolWeight> (415)
409.4252464

>  <Item Name> (415)
Ezetimibe (Zetia)

>  <Catalog Number> (415)
S1655

>  <Synonyms> (415)
Zetia, Ezetrol

>  <Target> (415)
Others

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/Ezetimibe(Zetia).html

>  <CAS Number> (415)
163222-33-1

$$$$
TIKOSYN (dofetilide).cdx
csChFnd80/02221609172D

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 S   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
    1.9082    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6742    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9362    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3527    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.5609    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6527    2.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3426    3.2052    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  2  0  0  0  0
  8 11  2  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (416)
486

>  <Formula> (416)
C19H27N3O5S2

>  <MolWeight> (416)
441.56478

>  <Item Name> (416)
Dofetilide (Tikosyn)

>  <Catalog Number> (416)
S1658

>  <Synonyms> (416)
Tikosyn, UK68798

>  <Target> (416)
Others

>  <Form> (416)
Free Base

>  <URL> (416)
http://www.selleckchem.com/products/Dofetilide(Tikosyn).html

>  <CAS Number> (416)
115256-11-6

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/02221609172D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    6.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    7.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 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
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 22 27  2  0  0  0  0
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M  END
>  <Mol_ID> (417)
487

>  <Formula> (417)
C19H21N3O5

>  <MolWeight> (417)
371.38714

>  <Item Name> (417)
Isradipine (Dynacirc)

>  <Catalog Number> (417)
S1662

>  <Synonyms> (417)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (417)
Others

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/Isradipine(Dynacirc).html

>  <CAS Number> (417)
75695-93-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/02221609172D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.6019    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    9.0330    5.9595    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (418)
488

>  <Formula> (418)
C18H22O2

>  <MolWeight> (418)
270.36608

>  <Item Name> (418)
Estrone

>  <Catalog Number> (418)
S1665

>  <Synonyms> (418)
Oestrone

>  <Target> (418)
Others

>  <Form> (418)
Free Base

>  <URL> (418)
http://www.selleckchem.com/products/Estrone.html

>  <CAS Number> (418)
53-16-7 

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/02221609172D

  9  9  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    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  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  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (419)
489

>  <Formula> (419)
C4H4FN3O

>  <MolWeight> (419)
129.0924632

>  <Item Name> (419)
Flucytosine (Ancobon)

>  <Catalog Number> (419)
S1666

>  <Synonyms> (419)
5-fluorocytosine, Ancotil

>  <Target> (419)
Others

>  <Form> (419)
Free Base

>  <URL> (419)
http://www.selleckchem.com/products/Flucytosine(Ancobon).html

>  <CAS Number> (419)
2022-85-7

$$$$
AMINOCAPROIC ACID (aminocaproic acid).cdx
csChFnd80/02221609172D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    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  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
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (420)
491

>  <Formula> (420)
C6H13NO2

>  <MolWeight> (420)
131.17292

>  <Item Name> (420)
£¨6-£©¦Å-Aminocaproic acid 

>  <Catalog Number> (420)
S1671

>  <Synonyms> (420)
Amicar, ¦Å-amino caproic acid, ¦Å-Ahx, 6-aminohexanoic acid

>  <Target> (420)
Others

>  <Form> (420)
Free Base

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

>  <CAS Number> (420)
60-32-2

$$$$
Pregnenolone.cdx
csChFnd80/02221609172D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  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    3.4951    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
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (421)
492

>  <Formula> (421)
C21H32O2

>  <MolWeight> (421)
316.47758

>  <Item Name> (421)
Pregnenolone

>  <Catalog Number> (421)
S1914

>  <Synonyms> (421)
N/A

>  <Target> (421)
Estrogen/progestogen Receptor

>  <Form> (421)
Free Base

>  <URL> (421)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (421)
145-13-1

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/02221609172D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.7540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1747    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3829    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    7.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    9.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    9.1559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    8.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    6.8937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    9.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   10.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    5.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    0.3349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    2.4322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    2.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805   -0.0971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    2.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    3.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -1.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  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
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  1  0  0  0  0
 10 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  2  0  0  0  0
 20 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (422)
493

>  <Formula> (422)
C16H24N10O4

>  <MolWeight> (422)
420.42636

>  <Item Name> (422)
Aminophylline (Truphylline)

>  <Catalog Number> (422)
S1673

>  <Synonyms> (422)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (422)
PDE

>  <Form> (422)
Ethylenediamine

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

>  <CAS Number> (422)
317-34-0 

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/02221609172D

 24 24  0  0  0  0  0  0  0  0999 V2000
    3.6289    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6784    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3115    3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.9875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0991    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 20 22  1  1  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (423)
494

>  <Formula> (423)
C21H36ClNO

>  <MolWeight> (423)
353.96964

>  <Item Name> (423)
Amorolfine Hydrochloride

>  <Catalog Number> (423)
S1676

>  <Synonyms> (423)
Amorolfin, Curanail, Loceryl, Locetar, Odenil 

>  <Target> (423)
Others

>  <Form> (423)
Hydrochloride

>  <URL> (423)
http://www.selleckchem.com/products/Amorolfine-Hydrochloride.html

>  <CAS Number> (423)
78613-38-4

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/02221609172D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4024    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2873    3.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2873    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.6097    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  2  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  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
 10 18  1  1  0  0  0
 11 19  1  1  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (424)
495

>  <Formula> (424)
C11H12Cl2N2O5

>  <MolWeight> (424)
323.12938

>  <Item Name> (424)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (424)
S1677

>  <Synonyms> (424)
Alficetyn, Chlornitromycin, Chloromycetin 

>  <Target> (424)
Others

>  <Form> (424)
Free Base

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

>  <CAS Number> (424)
56-75-7

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/02221609172D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (425)
496

>  <Formula> (425)
C10H20N2S4

>  <MolWeight> (425)
296.5392

>  <Item Name> (425)
Disulfiram (Antabuse)

>  <Catalog Number> (425)
S1680

>  <Synonyms> (425)
Antabuse, Antabus

>  <Target> (425)
Others

>  <Form> (425)
Free Base

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

>  <CAS Number> (425)
97-77-8

$$$$
APRISO (mesalamine).cdx
csChFnd80/02221609172D

 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> (426)
497

>  <Formula> (426)
C7H7NO3

>  <MolWeight> (426)
153.13538

>  <Item Name> (426)
Mesalamine (Lialda)

>  <Catalog Number> (426)
S1681

>  <Synonyms> (426)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (426)
Others

>  <Form> (426)
Free Base

>  <URL> (426)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

>  <CAS Number> (426)
89-57-6

$$$$
ATROVENT HFA (ipratropium bromide).cdx
csChFnd80/02221609172D

 25 26  0  0  0  0  0  0  0  0999 V2000
    5.0421    9.6192    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.3523    5.0254    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0495    4.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6477    5.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308    6.3381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3523    7.7893    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.2163    5.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    4.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    8.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    8.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8396   10.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    2.0951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1827    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6034    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8116    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6076    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6076    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    4.1903    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
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 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 18  1  0  0  0  0
M  END
>  <Mol_ID> (427)
498

>  <Formula> (427)
C20H30BrNO3

>  <MolWeight> (427)
412.3611

>  <Item Name> (427)
Ipratropium bromide

>  <Catalog Number> (427)
S1683

>  <Synonyms> (427)
Atrovent, Apovent, Aerovent

>  <Target> (427)
Others

>  <Form> (427)
Bromide

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

>  <CAS Number> (427)
22254-24-6

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/02221609172D

 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> (428)
500

>  <Formula> (428)
C22H28O5

>  <MolWeight> (428)
372.45472

>  <Item Name> (428)
Betapar (Meprednisone)

>  <Catalog Number> (428)
S1689

>  <Synonyms> (428)
Betanisona

>  <Target> (428)
Others

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

>  <CAS Number> (428)
1247-42-3

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/02221609172D

 23 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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  3  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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  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  2  0  0  0  0
 13 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 17  1  0  0  0  0
M  END
>  <Mol_ID> (429)
502

>  <Formula> (429)
C19H24N2O2

>  <MolWeight> (429)
312.40606

>  <Item Name> (429)
Praziquantel (Biltricide)

>  <Catalog Number> (429)
S1691

>  <Synonyms> (429)
Droncit

>  <Target> (429)
Others

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/Praziquantel(Biltricide).html

>  <CAS Number> (429)
55268-74-1

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/02221609172D

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    1.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0013    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4061    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  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
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (430)
503

>  <Formula> (430)
C6H14O6S2

>  <MolWeight> (430)
246.30176

>  <Item Name> (430)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (430)
S1692

>  <Synonyms> (430)
Myleran, Busulfex

>  <Target> (430)
NULL

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/Busulfan(Busulfex).html

>  <CAS Number> (430)
55-98-1

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/02221609172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   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 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
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    5.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    1.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    4.5523    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    5.5899    0.0000 F   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  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9  5  1  1  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  9  1  0  0  0  0
 11 14  1  1  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (431)
504

>  <Formula> (431)
C9H11F2N3O4

>  <MolWeight> (431)
263.1981464

>  <Item Name> (431)
Gemcitabine (Gemzar)

>  <Catalog Number> (431)
S1714

>  <Synonyms> (431)
Gemzar

>  <Target> (431)
Others

>  <Form> (431)
Free Base

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

>  <CAS Number> (431)
95058-81-4 

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/02221609172D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  7  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  8  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
  2 17  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
>  <Mol_ID> (432)
505

>  <Formula> (432)
C15H12N2O

>  <MolWeight> (432)
236.26858

>  <Item Name> (432)
Carbamazepine (Carbatrol)

>  <Catalog Number> (432)
S1693

>  <Synonyms> (432)
Equetro, Tegretol, Biston 

>  <Target> (432)
Others

>  <Form> (432)
Free Base

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

>  <CAS Number> (432)
298-46-4

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/02221609172D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    7.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9798    4.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 14 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (433)
506

>  <Formula> (433)
C21H30O5

>  <MolWeight> (433)
362.4599

>  <Item Name> (433)
Hydrocortisone (Cortisol)

>  <Catalog Number> (433)
S1696

>  <Synonyms> (433)
Cortisol

>  <Target> (433)
Others

>  <Form> (433)
Free Base

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

>  <CAS Number> (433)
50-23-7

$$$$
DESOWEN (desonide).cdx
csChFnd80/02221609172D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    5.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671    8.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 14 26  1  1  0  0  0
 12 27  1  1  0  0  0
 16 28  1  1  0  0  0
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 17 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (434)
508

>  <Formula> (434)
C24H32O6

>  <MolWeight> (434)
416.50728

>  <Item Name> (434)
Desonide

>  <Catalog Number> (434)
S1701

>  <Synonyms> (434)
Locapred, Topifug, Tridesilon

>  <Target> (434)
Others

>  <Form> (434)
Free Base

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

>  <CAS Number> (434)
638-94-8

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/02221609172D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4032    4.1388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4032    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    3.4388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7347    4.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    4.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    4.1388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4846    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    0.4326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1475    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744    2.2332    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  1  1  0  0  0  0
  1  6  1  1  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  2  0  0  0  0
  4  8  1  1  0  0  0
M  END
>  <Mol_ID> (435)
509

>  <Formula> (435)
C10H12N4O3

>  <MolWeight> (435)
236.22728

>  <Item Name> (435)
Didanosine (Videx)

>  <Catalog Number> (435)
S1702

>  <Synonyms> (435)
Videx EC 

>  <Target> (435)
NULL

>  <Form> (435)
Free Base

>  <URL> (435)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (435)
69655-05-6

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/02221609172D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    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
  4  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
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (436)
510

>  <Formula> (436)
C16H31NaO4

>  <MolWeight> (436)
310.40471

>  <Item Name> (436)
Divalproex sodium

>  <Catalog Number> (436)
S1703

>  <Synonyms> (436)
Depakote, Epival

>  <Target> (436)
Others

>  <Form> (436)
Sodium

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

>  <CAS Number> (436)
76584-70-8

$$$$
ENDOMETRIN (progesterone).cdx
csChFnd80/02221609172D

 26 29  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  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
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    1.4125    0.0000 H   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
    7.4162    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3853    6.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0727    6.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  5 21  1  1  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (437)
511

>  <Formula> (437)
C21H30O2

>  <MolWeight> (437)
314.4617

>  <Item Name> (437)
Progesterone (Prometrium)

>  <Catalog Number> (437)
S1705

>  <Synonyms> (437)
Prometrium, Agolutin, Corlutin

>  <Target> (437)
Others

>  <Form> (437)
Free Base

>  <URL> (437)
http://www.selleckchem.com/products/Progesterone(Prometrium).html

>  <CAS Number> (437)
57-83-0

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/02221609172D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   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 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
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    4.2514    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  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  9  5  1  6  0  0  0
 11 14  1  6  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (438)
512

>  <Formula> (438)
C8H11N3O3S

>  <MolWeight> (438)
229.25624

>  <Item Name> (438)
Lamivudine (Epivir)

>  <Catalog Number> (438)
S1706

>  <Synonyms> (438)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (438)
Others

>  <Form> (438)
Free Base

>  <URL> (438)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (438)
134678-17-4

$$$$
ESIDRIX (hydrochlorothiazide).cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.0100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.2149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    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  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
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
M  END
>  <Mol_ID> (439)
514

>  <Formula> (439)
C7H8ClN3O4S2

>  <MolWeight> (439)
297.73912

>  <Item Name> (439)
Hydrochlorothiazide

>  <Catalog Number> (439)
S1708

>  <Synonyms> (439)
Aquazide H,Carozide,Diaqua,Esidrix,Ezide,HydroPar,HydroDIURIL,Hydrocot,Hydrokraft,Loqua,Oretic

>  <Target> (439)
Others

>  <Form> (439)
Free Base

>  <URL> (439)
http://www.selleckchem.com/products/Hydrochlorothiazide.html

>  <CAS Number> (439)
58-93-5

$$$$
estradiol.cdx
csChFnd80/02221609172D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  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
    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
    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
    9.0330    5.9595    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  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  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
>  <Mol_ID> (440)
515

>  <Formula> (440)
C18H24O2

>  <MolWeight> (440)
272.38196

>  <Item Name> (440)
Estradiol

>  <Catalog Number> (440)
S1709

>  <Synonyms> (440)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (440)
Others

>  <Form> (440)
Free Base

>  <URL> (440)
http://www.selleckchem.com/products/Estradiol.html

>  <CAS Number> (440)
50-28-2

$$$$
EXJADE (deferasirox).cdx
csChFnd80/02221609172D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4813    6.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813    6.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (441)
516

>  <Formula> (441)
C21H15N3O4

>  <MolWeight> (441)
373.3615

>  <Item Name> (441)
Deferasirox (Exjade)

>  <Catalog Number> (441)
S1712

>  <Synonyms> (441)
Exjade, ICL-670, ICL-670A, CGP-72670 

>  <Target> (441)
Others

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/Deferasirox(Exjade).html

>  <CAS Number> (441)
201530-41-8

$$$$
DCC-2036.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (442)
517

>  <Formula> (442)
C30H28FN7O3

>  <MolWeight> (442)
553.5868232

>  <Item Name> (442)
DCC-2036 (Rebastinib)

>  <Catalog Number> (442)
S2634

>  <Synonyms> (442)
N/A 

>  <Target> (442)
Bcr-Abl

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/dcc-2036.html

>  <CAS Number> (442)
1020172-07-9

$$$$
FELDENE (piroxicam).cdx
csChFnd80/02221609172D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (443)
518

>  <Formula> (443)
C15H13N3O4S

>  <MolWeight> (443)
331.34642

>  <Item Name> (443)
Piroxicam (Feldene)

>  <Catalog Number> (443)
S1713

>  <Synonyms> (443)
Roxam

>  <Target> (443)
COX 

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (443)
36322-90-4

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (444)
519

>  <Formula> (444)
C21H27N5O4S

>  <MolWeight> (444)
445.53518

>  <Item Name> (444)
Glipizide (Glucotrol)

>  <Catalog Number> (444)
S1715

>  <Synonyms> (444)
Glucotrol XL 

>  <Target> (444)
Others

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/Glipizide(Glucotrol).html

>  <CAS Number> (444)
29094-61-9

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/02221609172D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (445)
520

>  <Formula> (445)
C23H28ClN3O5S

>  <MolWeight> (445)
494.00352

>  <Item Name> (445)
Glyburide (Glibenclamide)

>  <Catalog Number> (445)
S1716

>  <Synonyms> (445)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (445)
Others

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/Glyburide(Diabeta).html

>  <CAS Number> (445)
10238-21-8 

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (446)
521

>  <Formula> (446)
C20H32N5O8P

>  <MolWeight> (446)
501.470541

>  <Item Name> (446)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (446)
S1718

>  <Synonyms> (446)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (446)
Others

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (446)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/02221609172D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.1207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  5  1  1  0  0  0  0
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M  END
>  <Mol_ID> (447)
522

>  <Formula> (447)
C9H13N3O3

>  <MolWeight> (447)
211.21782

>  <Item Name> (447)
Zalcitabine

>  <Catalog Number> (447)
S1719

>  <Synonyms> (447)
Hivid, Dideoxycytidine 

>  <Target> (447)
Others

>  <Form> (447)
Free Base

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

>  <CAS Number> (447)
7481-89-2

$$$$
IMURAN (azathioprine).cdx
csChFnd80/02221609172D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    6.7950    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (448)
523

>  <Formula> (448)
C9H7N7O2S

>  <MolWeight> (448)
277.26258

>  <Item Name> (448)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (448)
S1721

>  <Synonyms> (448)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (448)
Others

>  <Form> (448)
Free Base

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

>  <CAS Number> (448)
446-86-6

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/02221609172D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (449)
524

>  <Formula> (449)
C19H16ClNO4

>  <MolWeight> (449)
357.78764

>  <Item Name> (449)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (449)
S1723

>  <Synonyms> (449)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (449)
Others

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (449)
53-86-1

$$$$
Levonorgestrel.cdx
csChFnd80/02221609172D

 27 30  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  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    3.4951    0.0000 H   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
    7.4162    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    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
    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    5.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4263    6.5774    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  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
 17 25  1  6  0  0  0
 25 26  3  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (450)
526

>  <Formula> (450)
C21H28O2

>  <MolWeight> (450)
312.44582

>  <Item Name> (450)
Levonorgestrel (Levonelle)

>  <Catalog Number> (450)
S1727

>  <Synonyms> (450)
Levonelle, D-Norgestrel, Levonova

>  <Target> (450)
Others

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/Levonorgestrel(Levonelle).html

>  <CAS Number> (450)
797-63-7

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/02221609172D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7931    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1979    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (451)
527

>  <Formula> (451)
C15H22O3

>  <MolWeight> (451)
250.33338

>  <Item Name> (451)
Gemfibrozil (Lopid)

>  <Catalog Number> (451)
S1729

>  <Synonyms> (451)
Gemcor, Lopid, Jezil, Gen-Fibro

>  <Target> (451)
Others

>  <Form> (451)
Free Base

>  <URL> (451)
http://www.selleckchem.com/products/Gemfibrozil(Lopid).html

>  <CAS Number> (451)
25812-30-0

$$$$
LOZOL (indapamide).cdx
csChFnd80/02221609172D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.6425    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6425    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2756    5.1210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2756    2.3259    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4838    3.0234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5756    1.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9756    1.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260    3.0234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342    0.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    2.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    0.9335    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3062    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 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
 19 15  1  0  0  0  0
 16 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 17  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (452)
528

>  <Formula> (452)
C16H16ClN3O3S

>  <MolWeight> (452)
365.83454

>  <Item Name> (452)
Indapamide (Lozol)

>  <Catalog Number> (452)
S1730

>  <Synonyms> (452)
Arifon, Fludex, Noranat, Veroxil, Tertensif

>  <Target> (452)
Others

>  <Form> (452)
Free Base

>  <URL> (452)
http://www.selleckchem.com/products/Indapamide(Lozol).html

>  <CAS Number> (452)
26807-65-8

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/02221609172D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7 27  1  6  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (453)
529

>  <Formula> (453)
C22H30O5

>  <MolWeight> (453)
374.4706

>  <Item Name> (453)
Methylprednisolone

>  <Catalog Number> (453)
S1733

>  <Synonyms> (453)
Medrol, Solu-Medrol, Medrone

>  <Target> (453)
Others

>  <Form> (453)
Free Base

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

>  <CAS Number> (453)
83-43-2

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/02221609172D

 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
    7.2279    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7404    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1404    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0197    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    5.4023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    5.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    3.4406    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3351    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
  5  6  1  0  0  0  0
  6  1  2  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
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (454)
530

>  <Formula> (454)
C14H13N3O4S2

>  <MolWeight> (454)
351.40072

>  <Item Name> (454)
Meloxicam (Mobic)

>  <Catalog Number> (454)
S1734

>  <Synonyms> (454)
Metacam, Parocin 

>  <Target> (454)
Others

>  <Form> (454)
Free Base

>  <URL> (454)
http://www.selleckchem.com/products/Meloxicam(Mobic).html

>  <CAS Number> (454)
71125-38-7

$$$$
Mesna.cdx
csChFnd80/02221609172D

  8  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    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  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
M  END
>  <Mol_ID> (455)
531

>  <Formula> (455)
C2H5NaO3S2

>  <MolWeight> (455)
164.17907

>  <Item Name> (455)
Mesna (Uromitexan, Mesnex)

>  <Catalog Number> (455)
S1735

>  <Synonyms> (455)
Uromitexan, Mesnex

>  <Target> (455)
Others

>  <Form> (455)
Free Base

>  <URL> (455)
http://www.selleckchem.com/products/Mesna(Uromitexan).html

>  <CAS Number> (455)
19767-45-4

$$$$
METHOCARBAMOL (methocarbamol).cdx
csChFnd80/02221609172D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    7.0122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (456)
532

>  <Formula> (456)
C11H15NO5

>  <MolWeight> (456)
241.2405

>  <Item Name> (456)
Methocarbamol (Robaxin)

>  <Catalog Number> (456)
S1736

>  <Synonyms> (456)
Robaxin

>  <Target> (456)
Others

>  <Form> (456)
Free Base

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

>  <CAS Number> (456)
532-03-6

$$$$
MICARDIS (telmisartan).cdx
csChFnd80/02221609172D

 39 44  0  0  0  0  0  0  0  0999 V2000
    2.4165   11.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   10.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   11.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   12.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    7.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.3025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1995    1.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5975    1.8769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0993    3.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0113    4.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063    3.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253    5.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5373    5.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    5.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435    1.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    7.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0029    7.9630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7839    9.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4012    9.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7656    8.3174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6650   10.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1633   11.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7805   11.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994   10.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2460    7.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  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
 20 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 21  1  0  0  0  0
 18 26  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  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 29  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 30 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
>  <Mol_ID> (457)
533

>  <Formula> (457)
C33H30N4O2

>  <MolWeight> (457)
514.6169

>  <Item Name> (457)
Telmisartan (Micardis)

>  <Catalog Number> (457)
S1738

>  <Synonyms> (457)
Targit

>  <Target> (457)
Others

>  <Form> (457)
Free Base

>  <URL> (457)
http://www.selleckchem.com/products/Telmisartan(Micardis).html

>  <CAS Number> (457)
144701-48-4

$$$$
MINTEZOL (thiabendazole).cdx
csChFnd80/02221609172D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.7000    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4756    2.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756    3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2388    4.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599    4.2876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5450    4.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9776    5.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714    6.1885    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  2  0  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
M  END
>  <Mol_ID> (458)
534

>  <Formula> (458)
C10H7N3S

>  <MolWeight> (458)
201.24768

>  <Item Name> (458)
Thiabendazole

>  <Catalog Number> (458)
S1739

>  <Synonyms> (458)
Mintezol, Equizole

>  <Target> (458)
Others

>  <Form> (458)
Free Base

>  <URL> (458)
http://www.selleckchem.com/products/Thiabendazole.html

>  <CAS Number> (458)
148-79-8

$$$$
MUCINEX (guaifenesin).cdx
csChFnd80/02221609172D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    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
    2.4249    2.7951    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
    1.2124    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2578    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (459)
535

>  <Formula> (459)
C10H14O4

>  <MolWeight> (459)
198.21576

>  <Item Name> (459)
Guaifenesin (Guaiphenesin)

>  <Catalog Number> (459)
S1740

>  <Synonyms> (459)
Guaiphenesin, Glyceryl guaiacolate

>  <Target> (459)
Others

>  <Form> (459)
Free Base

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

>  <CAS Number> (459)
93-14-1

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/02221609172D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    6.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    6.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    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
  3  4  2  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  2  0  0  0  0
  8  1  1  0  0  0  0
  3  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  4  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
 16  8  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
>  <Mol_ID> (460)
536

>  <Formula> (460)
C15H14N4O

>  <MolWeight> (460)
266.29786

>  <Item Name> (460)
Nevirapine (Viramune)

>  <Catalog Number> (460)
S1742

>  <Synonyms> (460)
Viramune, BI-RG 587

>  <Target> (460)
Others

>  <Form> (460)
Free Base

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

>  <CAS Number> (460)
129618-40-2

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/02221609172D

 49 52  0  0  0  0  0  0  0  0999 V2000
    9.5731    6.2454    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.0917    6.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    5.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    5.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5459    7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5459    8.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7583    6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9707    7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2916    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1831    0.0851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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 31 26  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 26 34  1  0  0  0  0
 28 35  1  0  0  0  0
 29 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 45 48  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
>  <Mol_ID> (461)
537

>  <Formula> (461)
C34H36MgN6O6S2

>  <MolWeight> (461)
713.12124

>  <Item Name> (461)
Esomeprazole magnesium (Nexium)

>  <Catalog Number> (461)
S1743

>  <Synonyms> (461)
Nexium

>  <Target> (461)
5-alpha Reductase

>  <Form> (461)
Magnesium Salt

>  <URL> (461)
http://www.selleckchem.com/products/Esomeprazole-magnesium(Nexium).html

>  <CAS Number> (461)
161973-10-0 

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/02221609172D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7146    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  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
  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 12  7  1  0  0  0  0
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  5 16  1  0  0  0  0
  1 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  2  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (462)
538

>  <Formula> (462)
C21H26N2O7

>  <MolWeight> (462)
418.44034

>  <Item Name> (462)
Nimodipine (Nimotop)

>  <Catalog Number> (462)
S1747

>  <Synonyms> (462)
Nimotop

>  <Target> (462)
Others

>  <Form> (462)
Free Base

>  <URL> (462)
http://www.selleckchem.com/products/Nimodipine(Nimotop).html

>  <CAS Number> (462)
66085-59-4

$$$$
OXYTROL (oxybutynin).cdx
csChFnd80/02221609172D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.9397    4.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    5.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397    6.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    6.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8855    4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    3.4896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3020    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3050    1.3945    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
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  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  8 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15  9  1  0  0  0  0
 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (463)
539

>  <Formula> (463)
C22H31NO3

>  <MolWeight> (463)
357.48644

>  <Item Name> (463)
Oxybutynin (Ditropan)

>  <Catalog Number> (463)
S1754

>  <Synonyms> (463)
Ditropan, Lyrinel XL, Oxytrol 

>  <Target> (463)
Others

>  <Form> (463)
Free Base

>  <URL> (463)
http://www.selleckchem.com/products/Oxybutynin(Ditropan).html

>  <CAS Number> (463)
5633-20-5

$$$$
Pitavastatin calcium.cdx
csChFnd80/02221609172D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9511   11.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (464)
540

>  <Formula> (464)
C50H46CaF2N2O8

>  <MolWeight> (464)
880.9836464

>  <Item Name> (464)
Pitavastatin calcium (Livalo)

>  <Catalog Number> (464)
S1759

>  <Synonyms> (464)
Livalo

>  <Target> (464)
Others

>  <Form> (464)
Calcium

>  <URL> (464)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

>  <CAS Number> (464)
147526-32-7

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/02221609172D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.0000    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (465)
541

>  <Formula> (465)
C5H5N3O

>  <MolWeight> (465)
123.1127

>  <Item Name> (465)
Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (465)
S1762

>  <Synonyms> (465)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat 

>  <Target> (465)
Others

>  <Form> (465)
Free Base

>  <URL> (465)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (465)
98-96-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (466)
542

>  <Formula> (466)
C46H54N6O8S2

>  <MolWeight> (466)
883.08636

>  <Item Name> (466)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (466)
S1763

>  <Synonyms> (466)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (466)
Dopamine Receptor

>  <Form> (466)
Fumarate

>  <URL> (466)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (466)
111974-72-2

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/02221609172D

 42 45  0  0  0  0  0  0  0  0999 V2000
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   10.8311    2.3817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2560    2.3817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0847    7.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    4.4786    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    3.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    2.2257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1203    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  2  0  0  0  0
  6  1  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  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  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  8  2  0  0  0  0
 11 16  2  0  0  0  0
 15 17  1  0  0  0  0
  2 18  1  1  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 12 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
>  <Mol_ID> (467)
544

>  <Formula> (467)
C25H28N6O7S3

>  <MolWeight> (467)
620.72082

>  <Item Name> (467)
Cefditoren pivoxil

>  <Catalog Number> (467)
S1768

>  <Synonyms> (467)
Spectracef , Meiact

>  <Target> (467)
5-alpha Reductase 

>  <Form> (467)
Free Base

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

>  <CAS Number> (467)
117467-28-4 

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/02221609172D

 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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8951    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (468)
545

>  <Formula> (468)
C10H10N4O2S

>  <MolWeight> (468)
250.277

>  <Item Name> (468)
Sulfadiazine

>  <Catalog Number> (468)
S1770

>  <Synonyms> (468)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (468)
Others

>  <Form> (468)
Free Base

>  <URL> (468)
http://www.selleckchem.com/products/Sulfadiazine.html

>  <CAS Number> (468)
68-35-9

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/02221609172D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.5903    0.0000 Cl  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
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 N   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
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
  7 16  2  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
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (469)
546

>  <Formula> (469)
C18H18ClNS

>  <MolWeight> (469)
315.86022

>  <Item Name> (469)
Chlorprothixene

>  <Catalog Number> (469)
S1771

>  <Synonyms> (469)
Cloxan, Taractan, Truxal

>  <Target> (469)
Others

>  <Form> (469)
Free Base

>  <URL> (469)
http://www.selleckchem.com/products/Chlorprothixene.html

>  <CAS Number> (469)
113-59-7

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/02221609172D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    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
    6.0538    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686    1.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1163    0.7404    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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  9  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  2 18  1  0  0  0  0
  6 19  2  0  0  0  0
  3 20  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 10 23  2  0  0  0  0
 14 24  1  0  0  0  0
 12 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 13  1  0  0  0  0
 28 29  1  0  0  0  0
 11 30  1  1  0  0  0
  5 31  1  6  0  0  0
  4 32  1  6  0  0  0
  7 33  1  6  0  0  0
  8 34  1  6  0  0  0
 11 35  1  6  0  0  0
M  END
>  <Mol_ID> (470)
547

>  <Formula> (470)
C22H24N2O9

>  <MolWeight> (470)
460.43396

>  <Item Name> (470)
Oxytetracycline (Terramycin)

>  <Catalog Number> (470)
S1773

>  <Synonyms> (470)
Terramycin, Liquamycin

>  <Target> (470)
NULL

>  <Form> (470)
Free Base

>  <URL> (470)
http://www.selleckchem.com/products/Oxytetracycline(Terramycin).html

>  <CAS Number> (470)
79-57-2

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/02221609172D

 11 11  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 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
    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
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (471)
550

>  <Formula> (471)
C8H10N2S

>  <MolWeight> (471)
166.2434

>  <Item Name> (471)
Ethionamide

>  <Catalog Number> (471)
S1777

>  <Synonyms> (471)
2-ethylthioisonicotinamide, Trecator SC, Amidazine 

>  <Target> (471)
Others

>  <Form> (471)
Free Base

>  <URL> (471)
http://www.selleckchem.com/products/Ethionamide.html

>  <CAS Number> (471)
536-33-4

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.7782    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.8709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.1758    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.2831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2880    2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.1287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1207    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5533    2.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3282    0.1458    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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M  END
>  <Mol_ID> (472)
551

>  <Formula> (472)
C10H11F3N2O5

>  <MolWeight> (472)
296.1999496

>  <Item Name> (472)
Trifluridine (Viroptic)

>  <Catalog Number> (472)
S1778

>  <Synonyms> (472)
Viroptic, Trifluorothymidine

>  <Target> (472)
NULL

>  <Form> (472)
Free Base

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

>  <CAS Number> (472)
70-00-8

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (473)
552

>  <Formula> (473)
C8H12N4O5

>  <MolWeight> (473)
244.20468

>  <Item Name> (473)
Azacitidine (Vidaza)

>  <Catalog Number> (473)
S1782

>  <Synonyms> (473)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (473)
DNA/RNA Synthesis

>  <Form> (473)
Free Base

>  <URL> (473)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (473)
320-67-2

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/02221609172D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 N   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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M  END
>  <Mol_ID> (474)
553

>  <Formula> (474)
C10H13N5O4

>  <MolWeight> (474)
267.24132

>  <Item Name> (474)
Vidarabine (Vira-A)

>  <Catalog Number> (474)
S1784

>  <Synonyms> (474)
Vira-A

>  <Target> (474)
5-alpha Reductase 

>  <Form> (474)
Free Base

>  <URL> (474)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

>  <CAS Number> (474)
5536-17-4

$$$$
VUMON (teniposide).cdx
csChFnd80/02221609172D

 47 54  0  0  0  0  0  0  0  0999 V2000
   10.6902    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (475)
554

>  <Formula> (475)
C32H32O13S

>  <MolWeight> (475)
656.65368

>  <Item Name> (475)
Teniposide (Vumon)

>  <Catalog Number> (475)
S1787

>  <Synonyms> (475)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (475)
Others

>  <Form> (475)
Free Base

>  <URL> (475)
http://www.selleckchem.com/products/Teniposide(Vumon).html

>  <CAS Number> (475)
29767-20-2

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/02221609172D

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    8.7781    2.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1705    2.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    3.3939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934    0.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3857    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9551    2.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1322    3.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2057    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  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  2  0  0  0  0
  1 11  1  6  0  0  0
  4 12  1  6  0  0  0
  3 13  1  6  0  0  0
  8 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 19 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 20  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 25 36  1  6  0  0  0
 26 37  1  6  0  0  0
 37 38  1  0  0  0  0
  6 39  1  1  0  0  0
 32 40  1  0  0  0  0
 40 41  1  0  0  0  0
 29 41  1  0  0  0  0
 33 42  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 41 44  1  6  0  0  0
 24 45  1  1  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
  2 49  1  1  0  0  0
 21 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 22  1  0  0  0  0
 51 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 56 52  1  0  0  0  0
 54 57  1  0  0  0  0
M  END
>  <Mol_ID> (476)
555

>  <Formula> (476)
C43H51N3O11

>  <MolWeight> (476)
785.87854

>  <Item Name> (476)
Rifaximin (Xifaxan)

>  <Catalog Number> (476)
S1790

>  <Synonyms> (476)
Rifacol, Fatroximin

>  <Target> (476)
Others

>  <Form> (476)
Free Base

>  <URL> (476)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (476)
80621-81-4

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/02221609172D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.2879    0.0000 O   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
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6784    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2536    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
  2 11  1  6  0  0  0
  6 12  1  6  0  0  0
 12 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
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
  9 20  1  1  0  0  0
 10 21  1  1  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  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  1  1  0  0  0
 23 31  1  1  0  0  0
  5 32  1  1  0  0  0
M  END
>  <Mol_ID> (477)
556

>  <Formula> (477)
C25H38O5

>  <MolWeight> (477)
418.56622

>  <Item Name> (477)
Simvastatin (Zocor)

>  <Catalog Number> (477)
S1792

>  <Synonyms> (477)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (477)
Others

>  <Form> (477)
Free Base

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

>  <CAS Number> (477)
79902-63-9

$$$$
ALTACE (ramipril).cdx
csChFnd80/02221609172D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4618    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    8.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8164    4.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1858    4.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8858    5.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9490    6.8597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1164    3.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0532    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2391    8.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2023    9.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5659    8.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 16 15  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 19  1  6  0  0  0
 22 27  1  6  0  0  0
 24 28  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (478)
557

>  <Formula> (478)
C23H32N2O5

>  <MolWeight> (478)
416.51058

>  <Item Name> (478)
Ramipril (Altace)

>  <Catalog Number> (478)
S1793

>  <Synonyms> (478)
Tritace

>  <Target> (478)
RAAS

>  <Form> (478)
Free Base

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

>  <CAS Number> (478)
87333-19-5

$$$$
FENOFIBRATE (MICRONIZED) (fenofibrate).cdx
csChFnd80/02221609172D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1909    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5909    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (479)
558

>  <Formula> (479)
C20H21ClO4

>  <MolWeight> (479)
360.83134

>  <Item Name> (479)
Fenofibrate (Tricor, Trilipix)

>  <Catalog Number> (479)
S1794

>  <Synonyms> (479)
Antara, Fenoglide, Fibricor, Lipofen, Lofibra, Triglide 

>  <Target> (479)
NULL

>  <Form> (479)
Free Base

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

>  <CAS Number> (479)
49562-28-9

$$$$
RANEXA (ranolazine).cdx
csChFnd80/02221609172D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    0.7000    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
   18.1529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (480)
559

>  <Formula> (480)
C24H33N3O4

>  <MolWeight> (480)
427.53652

>  <Item Name> (480)
Ranolazine (Ranexa)

>  <Catalog Number> (480)
S1799

>  <Synonyms> (480)
Ranexa

>  <Target> (480)
Others

>  <Form> (480)
Free Base

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

>  <CAS Number> (480)
95635-55-5

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/02221609172D

 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
    2.4207    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9912    2.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3893    2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8910    3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8030    4.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1035    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3117    3.5905    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5199    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9364    4.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1446    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1446    2.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570    1.4905    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.3570    0.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5695    2.1905    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.5695    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570    4.2905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1201    0.0000    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
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  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  3  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  1  0  0  0  0
 13 14  1  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
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (481)
560

>  <Formula> (481)
C13H23ClN4O3S

>  <MolWeight> (481)
350.86472

>  <Item Name> (481)
Ranitidine (Zantac)

>  <Catalog Number> (481)
S1801

>  <Synonyms> (481)
Azantac

>  <Target> (481)
NULL

>  <Form> (481)
Hydrochloride

>  <URL> (481)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (481)
66357-59-3

$$$$
Acipimox.cdx
csChFnd80/02221609172D

 11 11  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 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    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
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (482)
561

>  <Formula> (482)
C6H6N2O3

>  <MolWeight> (482)
154.12344

>  <Item Name> (482)
Acipimox 

>  <Catalog Number> (482)
S1806

>  <Synonyms> (482)
K-9321, Olbemox, Olbetam

>  <Target> (482)
Others

>  <Form> (482)
Free Base

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

>  <CAS Number> (482)
51037-30-0

$$$$
Acyclovir.cdx
csChFnd80/02221609172D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611    5.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    4.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569    1.6179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0631    2.3673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305    3.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5640    4.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5575    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (483)
562

>  <Formula> (483)
C8H11N5O3

>  <MolWeight> (483)
225.20464

>  <Item Name> (483)
Acyclovir (Aciclovir)

>  <Catalog Number> (483)
S1807

>  <Synonyms> (483)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (483)
Others

>  <Form> (483)
Free Base

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

>  <CAS Number> (483)
59277-89-3 

$$$$
ADALAT (nifedipine).cdx
csChFnd80/02221609172D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019    5.2575    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3884    4.2710    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7629    6.6051    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  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (484)
563

>  <Formula> (484)
C17H18N2O6

>  <MolWeight> (484)
346.33462

>  <Item Name> (484)
Nifedipine (Adalat)

>  <Catalog Number> (484)
S1808

>  <Synonyms> (484)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (484)
Others

>  <Form> (484)
Free Base

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

>  <CAS Number> (484)
21829-25-4

$$$$
Amiloride hydrochloride.cdx
csChFnd80/02221609172D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    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
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1376    5.3651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (485)
564

>  <Formula> (485)
C6H9Cl2N7O

>  <MolWeight> (485)
266.08796

>  <Item Name> (485)
Amiloride hydrochloride (Midamor)

>  <Catalog Number> (485)
S1811

>  <Synonyms> (485)
Midamor, Colectril, Amipramizide, Guanamprazine hydrochloride

>  <Target> (485)
Others

>  <Form> (485)
Hydrochloride

>  <URL> (485)
http://www.selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

>  <CAS Number> (485)
2016-88-8

$$$$
Azatadine dimaleate.cdx
csChFnd80/02221609172D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.0965    7.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7070    5.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1034    5.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8891    7.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    8.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8822    8.3639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    4.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7386    4.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    5.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    6.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308    7.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276    7.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    6.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    5.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    4.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   11.6233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1248   11.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (486)
565

>  <Formula> (486)
C28H30N2O8

>  <MolWeight> (486)
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>  <Item Name> (486)
Azatadine maleate

>  <Catalog Number> (486)
S3186

>  <Synonyms> (486)
N/A 

>  <Target> (486)
Histamine Receptor

>  <Form> (486)
Maleate

>  <URL> (486)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (486)
3978-86-7

$$$$
Baricitinib.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (487)
566

>  <Formula> (487)
C16H17N7O2S

>  <MolWeight> (487)
371.41688

>  <Item Name> (487)
Baricitinib (LY3009104)

>  <Catalog Number> (487)
S2851

>  <Synonyms> (487)
INCB 28050

>  <Target> (487)
JAK

>  <Form> (487)
Free Base

>  <URL> (487)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (487)
1187594-09-7

$$$$
CTEP.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (488)
567

>  <Formula> (488)
C19H13ClF3N3O

>  <MolWeight> (488)
391.7742296

>  <Item Name> (488)
CTEP

>  <Catalog Number> (488)
S2861

>  <Target> (488)
GluR

>  <Form> (488)
Free Base

>  <URL> (488)
http://www.selleckchem.com/products/ctep.html

>  <CAS Number> (488)
871362-31-1

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/02221609172D

 13 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (489)
570

>  <Formula> (489)
C9H5Cl2NO

>  <MolWeight> (489)
214.0481

>  <Item Name> (489)
Chloroxine

>  <Catalog Number> (489)
S1839

>  <Synonyms> (489)
Capitrol

>  <Target> (489)
Others

>  <Form> (489)
Free Base

>  <URL> (489)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (489)
773-76-2

$$$$
CEENU (lomustine).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (490)
571

>  <Formula> (490)
C9H16ClN3O2

>  <MolWeight> (490)
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>  <Item Name> (490)
Lomustine (CeeNU)

>  <Catalog Number> (490)
S1840

>  <Synonyms> (490)
CCNU 

>  <Target> (490)
Others

>  <Form> (490)
Free Base

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

>  <CAS Number> (490)
13010-47-4

$$$$
CHENIX (chenodiol).cdx
csChFnd80/02221609172D

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    6.0580    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.7326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8101    7.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    7.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    7.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    6.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    8.8253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  6  0  0  0
  8 19  1  6  0  0  0
  5 20  1  1  0  0  0
  4 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 17 24  1  6  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (491)
572

>  <Formula> (491)
C24H40O4

>  <MolWeight> (491)
392.572

>  <Item Name> (491)
Chenodeoxycholic acid

>  <Catalog Number> (491)
S1843

>  <Synonyms> (491)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid 

>  <Target> (491)
NULL

>  <Form> (491)
Free Base

>  <URL> (491)
http://www.selleckchem.com/products/Chenodeoxycholic-acid.html

>  <CAS Number> (491)
474-25-9 

$$$$
cimetidine.cdx
csChFnd80/02221609172D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.8200    2.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6527    3.8909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0401    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4401    1.4307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4300    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6276    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6276    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0276    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0276    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4276    2.4165    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  1  1  0  0  0  0
  1  6  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  3  0  0  0  0
M  END
>  <Mol_ID> (492)
573

>  <Formula> (492)
C10H16N6S

>  <MolWeight> (492)
252.33924

>  <Item Name> (492)
Cimetidine (Tagamet)

>  <Catalog Number> (492)
S1845

>  <Synonyms> (492)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (492)
NULL

>  <Form> (492)
Free Base

>  <URL> (492)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (492)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/02221609172D

 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
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8404    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9368    4.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9836    7.4849    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
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  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 12  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
 25 26  1  0  0  0  0
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 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (493)
574

>  <Formula> (493)
C25H30ClNO5

>  <MolWeight> (493)
459.9624

>  <Item Name> (493)
Clemastine Fumarate

>  <Catalog Number> (493)
S1847

>  <Synonyms> (493)
Tavist, Agasten 

>  <Target> (493)
Histamine Receptor

>  <Form> (493)
Free Base

>  <URL> (493)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

>  <CAS Number> (493)
14976-57-9

$$$$
Daidzein.cdx
csChFnd80/02221609172D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  2 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (494)
575

>  <Formula> (494)
C15H10O4

>  <MolWeight> (494)
254.2375

>  <Item Name> (494)
Daidzein

>  <Catalog Number> (494)
S1849

>  <Synonyms> (494)
N/A

>  <Target> (494)
Others

>  <Form> (494)
Free Base

>  <URL> (494)
http://www.selleckchem.com/products/Daidzein.html

>  <CAS Number> (494)
486-66-8 

$$$$
Methylthiouracil.cdx
csChFnd80/02221609172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    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
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (495)
578

>  <Formula> (495)
C5H6N2OS

>  <MolWeight> (495)
142.17894

>  <Item Name> (495)
Methylthiouracil

>  <Catalog Number> (495)
S3138

>  <Synonyms> (495)
N/A

>  <Target> (495)
Others

>  <Form> (495)
Free Base

>  <URL> (495)
http://www.selleckchem.com/products/methylthiouracil.html

>  <CAS Number> (495)
56-04-2

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/02221609172D

 10 10  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 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
    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
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (496)
579

>  <Formula> (496)
C6H7N3O

>  <MolWeight> (496)
137.13928

>  <Item Name> (496)
Isoniazid (Tubizid)

>  <Catalog Number> (496)
S1937

>  <Synonyms> (496)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (496)
Angiogenesis

>  <Form> (496)
Free Base

>  <URL> (496)
http://www.selleckchem.com/products/Isoniazid(Tubizid).html

>  <CAS Number> (496)
54-85-3

$$$$
LEVOFLOXACIN (levofloxacin).cdx
csChFnd80/02221609172D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.4951    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
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0538    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   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
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    8.4744    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (497)
581

>  <Formula> (497)
C18H20FN3O4

>  <MolWeight> (497)
361.3675032

>  <Item Name> (497)
Levofloxacin (Levaquin)

>  <Catalog Number> (497)
S1940

>  <Synonyms> (497)
Levaquin, Tavanic

>  <Target> (497)
Others

>  <Form> (497)
Free Base

>  <URL> (497)
http://www.selleckchem.com/products/Levofloxacin(Levaquin).html

>  <CAS Number> (497)
100986-85-4

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/02221609172D

 35 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.5679    0.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2703    2.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 34  1  0  0  0  0
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M  END
>  <Mol_ID> (498)
582

>  <Formula> (498)
C24H32N2O9

>  <MolWeight> (498)
492.51888

>  <Item Name> (498)
Enalapril maleate (Vasotec)

>  <Catalog Number> (498)
S1941

>  <Synonyms> (498)
Glioten, Renitec 

>  <Target> (498)
Opioid Receptor

>  <Form> (498)
Maleate

>  <URL> (498)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (498)
76095-16-4

$$$$
MENADIONE (menadione).cdx
csChFnd80/02221609172D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    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
    6.0580    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  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
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  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (499)
583

>  <Formula> (499)
C11H8O2

>  <MolWeight> (499)
172.18002

>  <Item Name> (499)
Menadione

>  <Catalog Number> (499)
S1949

>  <Synonyms> (499)
Vitamin K3

>  <Target> (499)
Others

>  <Form> (499)
Free Base

>  <URL> (499)
http://www.selleckchem.com/products/Menadione.html

>  <CAS Number> (499)
58-27-5

$$$$
Methoxsalen.cdx
csChFnd80/02221609172D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3894    4.6253    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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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (500)
585

>  <Formula> (500)
C12H8O4

>  <MolWeight> (500)
216.18952

>  <Item Name> (500)
Methoxsalen (Oxsoralen)

>  <Catalog Number> (500)
S1952

>  <Synonyms> (500)
Xanthotoxin, Metoxaleno,  Dltasoralen, Meladinine, Uvadex

>  <Target> (500)
Others

>  <Form> (500)
Free Base

>  <URL> (500)
http://www.selleckchem.com/products/Methoxsalen(Oxsoralen).html

>  <CAS Number> (500)
298-81-7

$$$$
Miconazole nitrate.cdx
csChFnd80/02221609172D

 29 30  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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    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    2.1000    0.0000 C   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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  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (501)
586

>  <Formula> (501)
C18H15Cl4N3O4

>  <MolWeight> (501)
479.1414

>  <Item Name> (501)
Miconazole nitrate

>  <Catalog Number> (501)
S1956

>  <Synonyms> (501)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (501)
Others

>  <Form> (501)
Nitrate 

>  <URL> (501)
http://www.selleckchem.com/products/Miconazole-nitrate.html

>  <CAS Number> (501)
22832-87-7

$$$$
MYSOLINE (primidone).cdx
csChFnd80/02221609172D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.9373    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
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 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 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  5 16  2  0  0  0  0
M  END
>  <Mol_ID> (502)
587

>  <Formula> (502)
C12H14N2O2

>  <MolWeight> (502)
218.25176

>  <Item Name> (502)
Primidone (Mysoline)

>  <Catalog Number> (502)
S1965

>  <Synonyms> (502)
Mysoline, Neurosyn, Mylepsin

>  <Target> (502)
Others

>  <Form> (502)
Free Base

>  <URL> (502)
http://www.selleckchem.com/products/Primidone(Mysoline).html

>  <CAS Number> (502)
125-33-7

$$$$
Nefiracetam.cdx
csChFnd80/02221609172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    5.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    3.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7626    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  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
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
  2 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  2  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (503)
588

>  <Formula> (503)
C14H18N2O2

>  <MolWeight> (503)
246.30492

>  <Item Name> (503)
Nefiracetam (Translon)

>  <Catalog Number> (503)
S1969

>  <Synonyms> (503)
DM 9384, Translon, DZL-221

>  <Target> (503)
GABA Receptor

>  <Form> (503)
Free Base

>  <URL> (503)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (503)
77191-36-7

$$$$
Nicorandil.cdx
csChFnd80/02221609172D

 15 15  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 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
    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
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   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
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9035    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6911    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  2  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
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (504)
589

>  <Formula> (504)
C8H9N3O4

>  <MolWeight> (504)
211.17476

>  <Item Name> (504)
Nicorandil (Ikorel)

>  <Catalog Number> (504)
S1971

>  <Synonyms> (504)
Ikorel, Dancor, Nikoran, Aprior, Nitorubin, Sigmart 

>  <Target> (504)
Others

>  <Form> (504)
Free Base

>  <URL> (504)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (504)
65141-46-0

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/02221609172D

 41 42  0  0  0  0  0  0  0  0999 V2000
    6.0368    8.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0302    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3872    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7574   10.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4004    9.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031    9.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0930    8.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4453    8.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307    7.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4353    7.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3737    6.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    4.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3605    4.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7241    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    8.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    9.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    8.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    9.6283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146   10.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4654   10.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8224   11.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1861   12.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927   13.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8356   13.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4720   11.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8781    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5154    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9402    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    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
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 10 12  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 38  1  0  0  0  0
 33 41  1  0  0  0  0
 32 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (505)
590

>  <Formula> (505)
C32H37NO8

>  <MolWeight> (505)
563.63808

>  <Item Name> (505)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (505)
S1972

>  <Synonyms> (505)
Istubal

>  <Target> (505)
Estrogen/progestogen Receptor

>  <Form> (505)
Citrate

>  <URL> (505)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (505)
54965-24-1

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/02221609172D

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.4333    7.3555    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    2.2928    4.7304    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9900    4.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5882    5.4844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8713    6.0431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2928    7.4943    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1568    5.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    4.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9528    4.5934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1929    5.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    8.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827    8.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2479    6.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    3.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712    7.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4974    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0810    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7057    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4974    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7099    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9181    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1305    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1305    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9181    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7057    4.1927    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
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10  3  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  4 13  1  6  0  0  0
  3 14  1  6  0  0  0
  2 15  1  1  0  0  0
  5 16  1  6  0  0  0
  9 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 21 24  2  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
M  END
>  <Mol_ID> (506)
592

>  <Formula> (506)
C18H24BrNO4

>  <MolWeight> (506)
398.29146

>  <Item Name> (506)
Methscopolamine (Pamine)

>  <Catalog Number> (506)
S1978

>  <Synonyms> (506)
N/A 

>  <Target> (506)
AChR

>  <Form> (506)
Bromide

>  <URL> (506)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (506)
155-41-9

$$$$
PROPYLTHIOURACIL (propylthiouracil).cdx
csChFnd80/02221609172D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    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
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  4 11  2  0  0  0  0
M  END
>  <Mol_ID> (507)
593

>  <Formula> (507)
C7H10N2OS

>  <MolWeight> (507)
170.2321

>  <Item Name> (507)
Propylthiouracil

>  <Catalog Number> (507)
S1988

>  <Synonyms> (507)
6-n-Propylthiouracil

>  <Target> (507)
Others

>  <Form> (507)
Free Base

>  <URL> (507)
http://www.selleckchem.com/products/Propylthiouracil.html

>  <CAS Number> (507)
51-52-5

$$$$
untitled.cdx
csChFnd80/02221609172D

 31 33  0  0  0  0  0  0  0  0999 V2000
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N/A 

>  <Target> (508)
Integrase 

>  <Form> (508)
Free Base

>  <URL> (508)
http://www.selleckchem.com/products/Elvitegravir.html

>  <CAS Number> (508)
697761-98-1

$$$$
untitled.cdx
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>  <Catalog Number> (509)
S2003

>  <Synonyms> (509)
UK-427857, Celsentri 

>  <Target> (509)
CCR5 

>  <Form> (509)
Free Base

>  <URL> (509)
http://www.selleckchem.com/products/Maraviroc.html

>  <CAS Number> (509)
376348-65-1

$$$$
Raltegravir.cdx
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>  <MolWeight> (510)
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>  <Item Name> (510)
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>  <Catalog Number> (510)
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>  <Synonyms> (510)
Isentress 

>  <Target> (510)
Integrase

>  <Form> (510)
Free Base

>  <URL> (510)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (510)
518048-05-0

$$$$
pyrimethamine.cdx
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>  <MolWeight> (511)
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>  <Item Name> (511)
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>  <Target> (511)
NULL

>  <Form> (511)
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>  <URL> (511)
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>  <CAS Number> (511)
58-14-0

$$$$
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    3.9688    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    4.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5531    5.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5127    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1813    6.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8028    7.8031    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    1.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    4.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    3.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4204    2.2963    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
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 17 18  1  0  0  0  0
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 15 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (512)
602

>  <Formula> (512)
C20H17FO3S

>  <MolWeight> (512)
356.4105832

>  <Item Name> (512)
Sulindac (Clinoril)

>  <Catalog Number> (512)
S2007

>  <Synonyms> (512)
Clinoril, Aflodac, Sulreuma

>  <Target> (512)
NULL

>  <Form> (512)
Free Base

>  <URL> (512)
http://www.selleckchem.com/products/Sulindac(Clinoril).html

>  <CAS Number> (512)
38194-50-2

$$$$
Sclareolide.cdx
csChFnd80/02221609172D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.7875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5495    1.3875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7620    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.7875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7620    3.4875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1868    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1868    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    3.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    0.9549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5868    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5492    2.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0620    4.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9643    1.7975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495    3.9999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  2  1  0  0  0  0
 12 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  6  0  0  0
  5 19  1  1  0  0  0
  1 20  1  1  0  0  0
M  END
>  <Mol_ID> (513)
604

>  <Formula> (513)
C16H26O2

>  <MolWeight> (513)
250.37644

>  <Item Name> (513)
Sclareolide (Norambreinolide)

>  <Catalog Number> (513)
S2355

>  <Synonyms> (513)
Norambreinolide

>  <Target> (513)
Others

>  <Form> (513)
Free Base

>  <URL> (513)
http://www.selleckchem.com/products/Sclareolide(Norambreinolide).html

>  <CAS Number> (513)
564-20-5

$$$$
Shikimic acid.cdx
csChFnd80/02221609172D

 12 12  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  3  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  1  0  0  0
M  END
>  <Mol_ID> (514)
605

>  <Formula> (514)
C7H10O5

>  <MolWeight> (514)
174.1513

>  <Item Name> (514)
Shikimic acid (Shikimate)

>  <Catalog Number> (514)
S2356

>  <Synonyms> (514)
Shikimate, Bracken fern toxic component, L-Shikimic acid 

>  <Target> (514)
Others

>  <Form> (514)
Free Base

>  <URL> (514)
http://www.selleckchem.com/products/Shikimic-acid(Shikimate).html

>  <CAS Number> (514)
138-59-0 

$$$$
Silibinin.cdx
csChFnd80/02221609172D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.0538    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1159    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3284    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    4.1951    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
    4.8413    2.0951    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
    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
    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   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
    4.8455    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  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  5  2  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13  8  1  1  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 13  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
  2 22  1  6  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 26 30  1  0  0  0  0
  1 31  1  1  0  0  0
 31 32  1  0  0  0  0
 14 33  2  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
>  <Mol_ID> (515)
606

>  <Formula> (515)
C25H22O10

>  <MolWeight> (515)
482.43618

>  <Item Name> (515)
Silibinin (Silybin)

>  <Catalog Number> (515)
S2357

>  <Synonyms> (515)
Silybin

>  <Target> (515)
Others

>  <Form> (515)
Free Base

>  <URL> (515)
http://www.selleckchem.com/products/Silibinin(Silybin).html

>  <CAS Number> (515)
22888-70-6

$$$$
Silymarin.cdx
csChFnd80/02221609172D

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927    2.4207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2927    1.2082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5927    2.4207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8927    3.6331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5927    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0927    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6927    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    2.4207    0.0000 O   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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6903    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    7.2662    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
  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  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 11  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
  6 28  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8 31  1  0  0  0  0
 31 32  1  0  0  0  0
 20 33  2  0  0  0  0
 24 34  1  0  0  0  0
 26 35  1  0  0  0  0
M  END
>  <Mol_ID> (516)
607

>  <Formula> (516)
C25H22O10

>  <MolWeight> (516)
482.43618

>  <Item Name> (516)
Silymarin (Silybin B)

>  <Catalog Number> (516)
S2358

>  <Synonyms> (516)
Silybin B, Silibinin B

>  <Target> (516)
NULL

>  <Form> (516)
Free Base

>  <URL> (516)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (516)
65666-07-1

$$$$
Sinomenine.cdx
csChFnd80/02221609172D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    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
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    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
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    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
    4.8455    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 O   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
    7.2662    4.1976    0.0000 N   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
    7.2789    3.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 12 19  2  0  0  0  0
 18 20  1  0  0  0  0
  9 21  1  6  0  0  0
  7 22  1  6  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 25  1  6  0  0  0
M  END
>  <Mol_ID> (517)
608

>  <Formula> (517)
C19H23NO4

>  <MolWeight> (517)
329.39022

>  <Item Name> (517)
Sinomenine (Cucoline)

>  <Catalog Number> (517)
S2359

>  <Synonyms> (517)
Cucoline, Kukoline, Coculine, Sabianine A 

>  <Target> (517)
Others

>  <Form> (517)
Free Base

>  <URL> (517)
http://www.selleckchem.com/products/Sinomenine(Cucoline).html

>  <CAS Number> (517)
115-53-7

$$$$
Synephrine.cdx
csChFnd80/02221609172D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  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
M  END
>  <Mol_ID> (518)
610

>  <Formula> (518)
C9H13NO2

>  <MolWeight> (518)
167.20502

>  <Item Name> (518)
Synephrine (Oxedrine)

>  <Catalog Number> (518)
S2362

>  <Synonyms> (518)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (518)
Androgen Receptor

>  <Form> (518)
Free Base

>  <URL> (518)
http://www.selleckchem.com/products/Synephrine(Oxedrine).html

>  <CAS Number> (518)
94-07-5

$$$$
Tangeretin.cdx
csChFnd80/02221609172D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5605    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  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
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 21  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (519)
611

>  <Formula> (519)
C20H20O7

>  <MolWeight> (519)
372.3686

>  <Item Name> (519)
Tangeretin (Tangeritin)

>  <Catalog Number> (519)
S2363

>  <Synonyms> (519)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (519)
Others

>  <Form> (519)
Free Base

>  <URL> (519)
http://www.selleckchem.com/products/Tangeretin(Tangeritin).html

>  <CAS Number> (519)
481-53-8

$$$$
Tanshinone IIA.cdx
csChFnd80/02221609172D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    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
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  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
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (520)
613

>  <Formula> (520)
C19H18O3

>  <MolWeight> (520)
294.34442

>  <Item Name> (520)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (520)
S2365

>  <Synonyms> (520)
Tanshinone B, Tanshinone II

>  <Target> (520)
Others

>  <Form> (520)
Free Base

>  <URL> (520)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (520)
568-72-9

$$$$
Tetrahydropapaverine hydrochloride.cdx
csChFnd80/02221609172D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    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
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992    1.1618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (521)
614

>  <Formula> (521)
C20H26ClNO4

>  <MolWeight> (521)
379.87774

>  <Item Name> (521)
Tetrahydropapaverine hydrochloride

>  <Catalog Number> (521)
S2367

>  <Synonyms> (521)
N/A

>  <Target> (521)
Others

>  <Form> (521)
Hydrochloride

>  <URL> (521)
http://www.selleckchem.com/products/Tetrahydropapaverine-hydrochloride.html

>  <CAS Number> (521)
6429-04-5 

$$$$
Troxerutin.cdx
csChFnd80/02221609172D

 52 56  0  0  0  0  0  0  0  0999 V2000
    4.8371    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1739    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6289    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538   10.4976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413   11.1976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289   10.4976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3200    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13  9  1  0  0  0  0
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 15 16  1  0  0  0  0
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  6 33  1  0  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 38  1  6  0  0  0
 38 39  1  0  0  0  0
 40 39  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
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 45 40  1  0  0  0  0
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 41 50  1  1  0  0  0
 31 51  1  1  0  0  0
 29 52  1  1  0  0  0
M  END
>  <Mol_ID> (522)
616

>  <Formula> (522)
C33H42O19

>  <MolWeight> (522)
742.67518

>  <Item Name> (522)
Troxerutin

>  <Catalog Number> (522)
S2369

>  <Synonyms> (522)
Trihydroxyethylrutin, Troxerutin

>  <Target> (522)
Others

>  <Form> (522)
Free Base

>  <URL> (522)
http://www.selleckchem.com/products/Troxerutin.html

>  <CAS Number> (522)
7085-55-4

$$$$
Ursolic acid.cdx
csChFnd80/02221609172D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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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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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 19  1  0  0  0  0
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 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 22 28  1  1  0  0  0
 18 29  1  1  0  0  0
  9 30  1  1  0  0  0
  5 31  1  1  0  0  0
  2 32  1  1  0  0  0
  4 33  1  6  0  0  0
 10 34  1  6  0  0  0
 11 35  1  6  0  0  0
 21 36  1  6  0  0  0
M  END
>  <Mol_ID> (523)
617

>  <Formula> (523)
C30H48O3

>  <MolWeight> (523)
456.70032

>  <Item Name> (523)
Ursolic acid (Malol)

>  <Catalog Number> (523)
S2370

>  <Synonyms> (523)
Malol, Prunol, Urson

>  <Target> (523)
Others

>  <Form> (523)
Free Base

>  <URL> (523)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (523)
77-52-1

$$$$
Vanillylacetone.cdx
csChFnd80/02221609172D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   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
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    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
    7.2620    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2854    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
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (524)
618

>  <Formula> (524)
C11H14O3

>  <MolWeight> (524)
194.22706

>  <Item Name> (524)
Vanillylacetone

>  <Catalog Number> (524)
S2371

>  <Synonyms> (524)
N/A

>  <Target> (524)
Others

>  <Form> (524)
Free Base

>  <URL> (524)
http://www.selleckchem.com/products/Vanillylacetone.html

>  <CAS Number> (524)
122-48-5

$$$$
Xanthone.cdx
csChFnd80/02221609172D

 15 17  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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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 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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 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
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (525)
619

>  <Formula> (525)
C13H8O2

>  <MolWeight> (525)
196.20142

>  <Item Name> (525)
Xanthone (Genicide)

>  <Catalog Number> (525)
S2372

>  <Synonyms> (525)
Genicide, Benzophenone oxide, Diphenylene ketone oxide 

>  <Target> (525)
Others

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/Xanthone(Genicide).html

>  <CAS Number> (525)
90-47-1 

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/02221609172D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.4388    4.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    5.3177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8776    6.3581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3735    3.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7429    3.6951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6797    4.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2470    6.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755    2.3636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5449    2.0726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4817    3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0491    4.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6132    5.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    4.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7529    2.7052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2420    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8773    1.6169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6731    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8874    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632    1.4463    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  8  9  2  0  0  0  0
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  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  3  1  0  0  0  0
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 17 11  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 16 22  1  1  0  0  0
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 15 24  1  6  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (526)
620

>  <Formula> (526)
C21H27ClN2O3

>  <MolWeight> (526)
390.90368

>  <Item Name> (526)
Yohimbine hydrochloride (Antagonil)

>  <Catalog Number> (526)
S2373

>  <Synonyms> (526)
Antagonil, Yohimbe, Aphrodine hydrochloride, Yohimbine monohydrochloride 

>  <Target> (526)
NULL

>  <Form> (526)
Hydrochloride

>  <URL> (526)
http://www.selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

>  <CAS Number> (526)
65-19-0 

$$$$
5-HTP.cdx
csChFnd80/02221609172D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    4.8963    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8933    6.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598    7.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2579    6.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975    4.6062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (527)
621

>  <Formula> (527)
C11H12N2O3

>  <MolWeight> (527)
220.22458

>  <Item Name> (527)
5-hydroxytryptophan (5-HTP)

>  <Catalog Number> (527)
S2374

>  <Synonyms> (527)
N/A 

>  <Target> (527)
Others

>  <Form> (527)
Free Base

>  <URL> (527)
http://www.selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

>  <CAS Number> (527)
56-69-9

$$$$
Aloin.cdx
csChFnd80/02221609172D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.6903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    7.6903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2166    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    7.6879    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
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    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
  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  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 11 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 12  1  0  0  0  0
  6 21  1  1  0  0  0
  4 22  1  1  0  0  0
  3 23  1  1  0  0  0
  7 24  1  1  0  0  0
  5 25  1  6  0  0  0
  1 26  1  6  0  0  0
 26 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 19 30  1  0  0  0  0
 30 31  1  0  0  0  0
 10 32  2  0  0  0  0
M  END
>  <Mol_ID> (528)
622

>  <Formula> (528)
C21H22O9

>  <MolWeight> (528)
418.39398

>  <Item Name> (528)
Aloin (Barbaloin)

>  <Catalog Number> (528)
S2375 

>  <Synonyms> (528)
Barbaloin

>  <Target> (528)
Others

>  <Form> (528)
Free Base

>  <URL> (528)
http://www.selleckchem.com/products/Aloin(Barbaloin).html

>  <CAS Number> (528)
1415-73-2 

$$$$
Biochanin A.cdx
csChFnd80/02221609172D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    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
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   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
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (529)
624

>  <Formula> (529)
C16H12O5

>  <MolWeight> (529)
284.26348

>  <Item Name> (529)
Biochanin A (4-Methylgenistein)

>  <Catalog Number> (529)
S2377

>  <Synonyms> (529)
4-Methylgenistein

>  <Target> (529)
Others

>  <Form> (529)
Free Base

>  <URL> (529)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

>  <CAS Number> (529)
491-80-5

$$$$
Dioscin.cdx
csChFnd80/02221609172D

 69 77  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    7.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    6.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.5097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    9.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3014   11.4424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4557   10.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7347   11.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.7210   13.7882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.4420   14.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3094   13.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (530)
626

>  <Formula> (530)
C45H72O16

>  <MolWeight> (530)
869.04358

>  <Item Name> (530)
Dioscin (Collettiside III)

>  <Catalog Number> (530)
S2379

>  <Synonyms> (530)
Collettiside III, CCRIS 4123 

>  <Target> (530)
Others

>  <Form> (530)
Free Base

>  <URL> (530)
http://www.selleckchem.com/products/Dioscin(Collettiside-III).html

>  <CAS Number> (530)
19057-60-4 

$$$$
Diosmetin.cdx
csChFnd80/02221609172D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (531)
627

>  <Formula> (531)
C16H12O6

>  <MolWeight> (531)
300.26288

>  <Item Name> (531)
Diosmetin (Luteolin 4-methyl ether)

>  <Catalog Number> (531)
S2380

>  <Synonyms> (531)
Luteolin 4-methyl ether

>  <Target> (531)
Others

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

>  <CAS Number> (531)
520-34-3

$$$$
D-Mannitol.cdx
csChFnd80/02221609172D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (532)
628

>  <Formula> (532)
C6H14O6

>  <MolWeight> (532)
182.17176

>  <Item Name> (532)
D-Mannitol (Osmitrol)

>  <Catalog Number> (532)
S2381 

>  <Synonyms> (532)
Mannitol, Osmitrol, Osmofundin

>  <Target> (532)
Others

>  <Form> (532)
Free Base

>  <URL> (532)
http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (532)
69-65-8 

$$$$
Gastrodin.cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (533)
630

>  <Formula> (533)
C13H18O7

>  <MolWeight> (533)
286.27782

>  <Item Name> (533)
Gastrodin (Gastrodine)

>  <Catalog Number> (533)
S2383

>  <Synonyms> (533)
Gastrodine

>  <Target> (533)
Others

>  <Form> (533)
Free Base

>  <URL> (533)
http://www.selleckchem.com/products/Gastrodin(Gastrodine).html

>  <CAS Number> (533)
62499-27-8 

$$$$
Hematoxylin.cdx
csChFnd80/02221609172D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.5036    4.5325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.1722    4.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  6  0  0  0
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M  END
>  <Mol_ID> (534)
631

>  <Formula> (534)
C16H14O6

>  <MolWeight> (534)
302.27876

>  <Item Name> (534)
Hematoxylin (Hydroxybrazilin)

>  <Catalog Number> (534)
S2384

>  <Synonyms> (534)
Hydroxybrazilin, Natural Black 1

>  <Target> (534)
Others

>  <Form> (534)
Free Base

>  <URL> (534)
http://www.selleckchem.com/products/Hematoxylin(Hydroxybrazilin).html

>  <CAS Number> (534)
517-28-2

$$$$
Hordenine.cdx
csChFnd80/02221609172D

 12 12  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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    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  2 11  1  0  0  0  0
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M  END
>  <Mol_ID> (535)
632

>  <Formula> (535)
C10H15NO

>  <MolWeight> (535)
165.2322

>  <Item Name> (535)
Hordenine

>  <Catalog Number> (535)
S2385

>  <Synonyms> (535)
N,N-dimethyl-4-hydroxyphenylethylamine 

>  <Target> (535)
Others

>  <Form> (535)
Free Base

>  <URL> (535)
http://www.selleckchem.com/products/Hordenine.html

>  <CAS Number> (535)
539-15-1 

$$$$
Indirubin.cdx
csChFnd80/02221609172D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.9589    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  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 13 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
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (536)
633

>  <Formula> (536)
C16H10N2O2

>  <MolWeight> (536)
262.2628

>  <Item Name> (536)
Indirubin

>  <Catalog Number> (536)
S2386

>  <Synonyms> (536)
N/A

>  <Target> (536)
GSK-3

>  <Form> (536)
Free Base

>  <URL> (536)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (536)
479-41-4 

$$$$
L-carnitine.cdx
csChFnd80/02221609172D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4024    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  5  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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  6  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
M  END
>  <Mol_ID> (537)
635

>  <Formula> (537)
C7H15NO3

>  <MolWeight> (537)
161.1989

>  <Item Name> (537)
L-carnitine (Levocarnitine)

>  <Catalog Number> (537)
S2388

>  <Synonyms> (537)
Levocarnitine, Carnitor, vitamin BT, Karnitin

>  <Target> (537)
Others

>  <Form> (537)
Free Base

>  <URL> (537)
http://www.selleckchem.com/products/L-carnitine(Levocarnitine).html

>  <CAS Number> (537)
541-15-1

$$$$
Naringin Dihydrochalcone.cdx
csChFnd80/02221609172D

 42 45  0  0  0  0  0  0  0  0999 V2000
    8.4307    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4307    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434    9.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8562    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8562    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434   10.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2733    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4818    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6904    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647   10.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9032    9.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1159    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1159    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9032    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6904    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3245    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2221    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0136    7.3584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0136    8.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8008    9.4590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5880    8.7588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5880    7.3584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8008    6.6582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8008   10.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5922   11.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296    4.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    3.4673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4005    4.1391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2044    3.4673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2044    2.0673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4005    1.3955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6293    2.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8420    2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926    5.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795    9.4565    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
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 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 12  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 21 20  1  1  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 21  1  0  0  0  0
 23 27  1  1  0  0  0
 25 28  1  1  0  0  0
 27 29  1  0  0  0  0
 26 30  1  6  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 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 31 37  1  1  0  0  0
 35 38  1  1  0  0  0
 33 39  1  1  0  0  0
 32 40  1  1  0  0  0
 34 41  1  6  0  0  0
 24 42  1  6  0  0  0
M  END
>  <Mol_ID> (538)
636

>  <Formula> (538)
C27H34O14

>  <MolWeight> (538)
582.55046

>  <Item Name> (538)
Naringin Dihydrochalcone (Naringin DC)

>  <Catalog Number> (538)
S2389 

>  <Synonyms> (538)
Naringin DC

>  <Target> (538)
Others

>  <Form> (538)
Free Base

>  <URL> (538)
http://www.selleckchem.com/products/Naringin-Dihydrochalcone(Naringin-DC).html

>  <CAS Number> (538)
18916-17-1

$$$$
Polydatin.cdx
csChFnd80/02221609172D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7927    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
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 O   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
    0.0000    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  6  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
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
  6 24  1  1  0  0  0
  2 25  1  1  0  0  0
  1 26  1  6  0  0  0
  3 27  1  6  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (539)
637

>  <Formula> (539)
C20H22O8

>  <MolWeight> (539)
390.38388

>  <Item Name> (539)
Polydatin(Piceid)

>  <Catalog Number> (539)
S2390

>  <Synonyms> (539)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (539)
Others

>  <Form> (539)
Free Base

>  <URL> (539)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (539)
65914-17-2

$$$$
Quercetin.cdx
csChFnd80/02221609172D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (540)
638

>  <Formula> (540)
C15H10O7

>  <MolWeight> (540)
302.2357

>  <Item Name> (540)
Quercetin (Sophoretin)

>  <Catalog Number> (540)
S2391

>  <Synonyms> (540)
Meletin, Quercetine

>  <Target> (540)
PI3K, PKC, Src, Sirtuin

>  <Form> (540)
Free Base

>  <URL> (540)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

>  <CAS Number> (540)
117-39-5

$$$$
Sesamin.cdx
csChFnd80/02221609172D

 28 33  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    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
    0.8229    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9999    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0403    3.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4709    4.3133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0786    4.1670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7620    5.6827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5495    6.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8584    4.4591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0365    6.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1691    5.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4481    5.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5944    7.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4618    8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1828    7.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7270    5.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6638    6.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9638    7.6801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 14 18  1  6  0  0  0
 13 19  1  6  0  0  0
 15 20  1  6  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
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (541)
639

>  <Formula> (541)
C20H18O6

>  <MolWeight> (541)
354.35332

>  <Item Name> (541)
Sesamin (Fagarol)

>  <Catalog Number> (541)
S2392

>  <Synonyms> (541)
Fagarol, Sezamin

>  <Target> (541)
Others

>  <Form> (541)
Free Base

>  <URL> (541)
http://www.selleckchem.com/products/Sesamin(Fagarol).html

>  <CAS Number> (541)
607-80-7

$$$$
Sorbitol.cdx
csChFnd80/02221609172D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  3  9  1  6  0  0  0
  4 10  1  1  0  0  0
  5 11  1  1  0  0  0
  6 12  1  1  0  0  0
M  END
>  <Mol_ID> (542)
640

>  <Formula> (542)
C6H14O6

>  <MolWeight> (542)
182.17176

>  <Item Name> (542)
Sorbitol (Glucitol)

>  <Catalog Number> (542)
S2393

>  <Synonyms> (542)
Glucitol 

>  <Target> (542)
Others

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (542)
50-70-4 

$$$$
Naringenin.cdx
csChFnd80/02221609172D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
  9 14  1  6  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
M  END
>  <Mol_ID> (543)
641

>  <Formula> (543)
C15H12O5

>  <MolWeight> (543)
272.25278

>  <Item Name> (543)
Naringenin

>  <Catalog Number> (543)
S2394

>  <Synonyms> (543)
N/A

>  <Target> (543)
P450

>  <Form> (543)
Free Base

>  <URL> (543)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (543)
480-41-1

$$$$
Salidroside.cdx
csChFnd80/02221609172D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  3  8  1  1  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  2 19  1  6  0  0  0
  4 20  1  6  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (544)
643

>  <Formula> (544)
C14H20O7

>  <MolWeight> (544)
300.3044

>  <Item Name> (544)
Salidroside (Rhodioloside)

>  <Catalog Number> (544)
S2396

>  <Synonyms> (544)
Rhodioloside

>  <Target> (544)
Others

>  <Form> (544)
Free Base

>  <URL> (544)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

>  <CAS Number> (544)
10338-51-9

$$$$
Palmatine hydrochloride.cdx
csChFnd80/02221609172D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   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
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 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 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (545)
644

>  <Formula> (545)
C21H22ClNO4

>  <MolWeight> (545)
387.85668

>  <Item Name> (545)
Palmatine chloride

>  <Catalog Number> (545)
S2397

>  <Synonyms> (545)
Palmatine hydrochloride

>  <Target> (545)
Others

>  <Form> (545)
Chloride

>  <URL> (545)
http://www.selleckchem.com/products/Palmatine-chloride.html

>  <CAS Number> (545)
10605-02-4

$$$$
TRANCOPAL (chlormezanone).cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 N   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
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538    0.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    0.8851    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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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (546)
647

>  <Formula> (546)
C11H12ClNO3S

>  <MolWeight> (546)
273.73588

>  <Item Name> (546)
Chlormezanone (Trancopal)

>  <Catalog Number> (546)
S2021

>  <Synonyms> (546)
Trancopal

>  <Target> (546)
Others

>  <Form> (546)
Free Base

>  <URL> (546)
http://www.selleckchem.com/products/Chlormezanone(Trancopal).html

>  <CAS Number> (546)
80-77-3

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/02221609172D

 45 50  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4702    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.8927    0.0000 O   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
    4.8455    2.8000    0.0000 O   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
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0453    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6472    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8597    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6472    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0679    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    6.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4928    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4928    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    8.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0679    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1477    3.8122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5803    2.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9803    2.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4130    3.8122    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  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 13  2  0  0  0  0
 12 14  1  0  0  0  0
  8 15  2  0  0  0  0
 10 16  1  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 35 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 35  1  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 41  1  0  0  0  0
M  END
>  <Mol_ID> (547)
648

>  <Formula> (547)
C33H34N6O6

>  <MolWeight> (547)
610.65966

>  <Item Name> (547)
Candesartan cilexetil (Atacand)

>  <Catalog Number> (547)
S2037

>  <Synonyms> (547)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (547)
Others

>  <Form> (547)
Free Base

>  <URL> (547)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

>  <CAS Number> (547)
145040-37-5

$$$$
dextrose.cdx
csChFnd80/02221609172D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    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  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
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  7 12  2  0  0  0  0
M  END
>  <Mol_ID> (548)
649

>  <Formula> (548)
C6H12O6

>  <MolWeight> (548)
180.15588

>  <Item Name> (548)
Dextrose (D-glucose)

>  <Catalog Number> (548)
S2123

>  <Synonyms> (548)
D-glucose, Grape sugar 

>  <Target> (548)
Others

>  <Form> (548)
Free Base

>  <URL> (548)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

>  <CAS Number> (548)
50-99-7

$$$$
XYLO-PFAN (xylose).cdx
csChFnd80/02221609172D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    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  2  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  6  0  0  0
  4 10  1  6  0  0  0
M  END
>  <Mol_ID> (549)
650

>  <Formula> (549)
C5H10O5

>  <MolWeight> (549)
150.1299

>  <Item Name> (549)
Xylose

>  <Catalog Number> (549)
S2124

>  <Synonyms> (549)
N/A

>  <Target> (549)
Others

>  <Form> (549)
Free Base

>  <URL> (549)
http://www.selleckchem.com/products/Xylose.html

>  <CAS Number> (549)
25990-60-7

$$$$
mestranol.cdx
csChFnd80/02221609172D

 26 29  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  2  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7869    6.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    1.4125    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  2  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  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  3  0  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (550)
651

>  <Formula> (550)
C21H26O2

>  <MolWeight> (550)
310.42994

>  <Item Name> (550)
Mestranol

>  <Catalog Number> (550)
S2125

>  <Synonyms> (550)
N/A

>  <Target> (550)
NULL

>  <Form> (550)
Free Base

>  <URL> (550)
http://www.selleckchem.com/products/Mestranol.html

>  <CAS Number> (550)
72-33-3

$$$$
Naftopidil.cdx
csChFnd80/02221609172D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    1.2082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9854    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0806    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4806    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1806    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4806    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3757    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6757    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2757    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5781    4.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2757    6.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 15 17  1  0  0  0  0
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M  END
>  <Mol_ID> (551)
652

>  <Formula> (551)
C24H28N2O3

>  <MolWeight> (551)
392.49072

>  <Item Name> (551)
Naftopidil (Flivas)

>  <Catalog Number> (551)
S2126

>  <Synonyms> (551)
KT-611, BM-15275 

>  <Target> (551)
Adrenergic Receptor

>  <Form> (551)
Free Base

>  <URL> (551)
http://www.selleckchem.com/products/Naftopidil(Flivas).html

>  <CAS Number> (551)
57149-07-2

$$$$
S-(+)-Rolipram.cdx
csChFnd80/02221609172D

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  2  9  1  0  0  0  0
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 15  4  1  6  0  0  0
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M  END
>  <Mol_ID> (552)
653

>  <Formula> (552)
C16H21NO3

>  <MolWeight> (552)
275.34284

>  <Item Name> (552)
S-(+)-Rolipram

>  <Catalog Number> (552)
S2127

>  <Synonyms> (552)
N/A

>  <Target> (552)
PDE

>  <Form> (552)
Free Base

>  <URL> (552)
http://www.selleckchem.com/products/sRolipram.html

>  <CAS Number> (552)
85416-73-5

$$$$
Atropine sulfate monohydrate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (553)
655

>  <Formula> (553)
C34H50N2O11S

>  <MolWeight> (553)
694.8326

>  <Item Name> (553)
Atropine 

>  <Catalog Number> (553)
S2130

>  <Synonyms> (553)
Tropine 

>  <Target> (553)
Others

>  <Form> (553)
Coordination Co

>  <URL> (553)
http://www.selleckchem.com/products/Atropine-sulfate-monohydrate.html

>  <CAS Number> (553)
5908-99-6

$$$$
Roflumilast.cdx
csChFnd80/02221609172D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (554)
656

>  <Formula> (554)
C17H14Cl2F2N2O3

>  <MolWeight> (554)
403.2074664

>  <Item Name> (554)
Roflumilast (Daxas)

>  <Catalog Number> (554)
S2131

>  <Synonyms> (554)
Daxas

>  <Target> (554)
PDE

>  <Form> (554)
Free Base

>  <URL> (554)
http://www.selleckchem.com/products/Roflumilast(Daxas).html

>  <CAS Number> (554)
162401-32-3

$$$$
E7080.cdx
csChFnd80/02221609172D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (555)
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>  <MolWeight> (555)
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>  <Item Name> (555)
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S1164 

>  <Synonyms> (555)
N/A

>  <Target> (555)
VEGFR

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/E7080.html

>  <CAS Number> (555)
417716-92-8

$$$$
AZD8330.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (556)
659

>  <Formula> (556)
C16H17FIN3O4

>  <MolWeight> (556)
461.2267532

>  <Item Name> (556)
AZD8330

>  <Catalog Number> (556)
S2134

>  <Synonyms> (556)
N/A 

>  <Target> (556)
MEK

>  <Form> (556)
Free Base

>  <URL> (556)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

>  <CAS Number> (556)
869357-68-6

$$$$
Biotin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (557)
660

>  <Formula> (557)
C10H16N2O3S

>  <MolWeight> (557)
244.31064

>  <Item Name> (557)
Biotin (Vitamin B7)

>  <Catalog Number> (557)
S3130

>  <Synonyms> (557)
N/A

>  <Target> (557)
Others

>  <Form> (557)
Free Base

>  <URL> (557)
http://www.selleckchem.com/products/biotin-vitamin-b7.html

>  <CAS Number> (557)
58-85-5

$$$$
Dexamethasone acetate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (558)
662

>  <Formula> (558)
C24H31FO6

>  <MolWeight> (558)
434.4977432

>  <Item Name> (558)
Dexamethasone acetate

>  <Catalog Number> (558)
S3124

>  <Synonyms> (558)
N/A

>  <Target> (558)
Others

>  <Form> (558)
Free Base

>  <URL> (558)
http://www.selleckchem.com/products/dexamethasone-acetate.html

>  <CAS Number> (558)
1177-87-3

$$$$
Ethynodiol diacetate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (559)
664

>  <Formula> (559)
C24H32O4

>  <MolWeight> (559)
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>  <Item Name> (559)
Ethynodiol diacetate

>  <Catalog Number> (559)
S3160

>  <Synonyms> (559)
N/A 

>  <Target> (559)
Estrogen/progestogen Receptor

>  <Form> (559)
Free Base

>  <URL> (559)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (559)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (560)
665

>  <Formula> (560)
C17H22ClNO

>  <MolWeight> (560)
291.81568

>  <Item Name> (560)
Atomoxetine HCl

>  <Catalog Number> (560)
S3175

>  <Synonyms> (560)
N/A 

>  <Target> (560)
5-HT Receptor

>  <Form> (560)
HCl

>  <URL> (560)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (560)
82248-59-7

$$$$
BRL54443.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (561)
666

>  <Formula> (561)
C14H18N2O

>  <MolWeight> (561)
230.30552

>  <Item Name> (561)
BRL 54443

>  <Catalog Number> (561)
S2852

>  <Synonyms> (561)
N/A 

>  <Target> (561)
5-HT Receptor

>  <Form> (561)
Free Base

>  <URL> (561)
http://www.selleckchem.com/products/brl-54443.html

>  <CAS Number> (561)
57477-39-1

$$$$
GSK 1292263.cdx
csChFnd80/02221609172D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (562)
667

>  <Formula> (562)
C23H28N4O4S

>  <MolWeight> (562)
456.55782

>  <Item Name> (562)
GSK1292263

>  <Catalog Number> (562)
S2149

>  <Synonyms> (562)
N/A

>  <Target> (562)
GPR 

>  <Form> (562)
Free Base

>  <URL> (562)
http://www.selleckchem.com/products/GSK1292263.html

>  <CAS Number> (562)
1032823-75-8

$$$$
Methenamine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (563)
669

>  <Formula> (563)
C6H12N4

>  <MolWeight> (563)
140.18628

>  <Item Name> (563)
Methenamine (Mandelamine)

>  <Catalog Number> (563)
S3139

>  <Synonyms> (563)
N/A 

>  <Target> (563)
Others

>  <Form> (563)
Free Base

>  <URL> (563)
http://www.selleckchem.com/products/methenamine-mandelamine.html

>  <CAS Number> (563)
100-97-0 

$$$$
Moguisteine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (564)
670

>  <Formula> (564)
C16H21NO5S

>  <MolWeight> (564)
339.40664

>  <Item Name> (564)
Moguisteine

>  <Catalog Number> (564)
S3104

>  <Synonyms> (564)
N/A 

>  <Target> (564)
Others

>  <Form> (564)
Free Base

>  <URL> (564)
http://www.selleckchem.com/products/moguisteine.html

>  <CAS Number> (564)
119637-67-1

$$$$
Nadifloxacin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (565)
671

>  <Formula> (565)
C19H21FN2O4

>  <MolWeight> (565)
360.3794432

>  <Item Name> (565)
Nadifloxacin

>  <Catalog Number> (565)
S3105

>  <Synonyms> (565)
Nadixa 

>  <Target> (565)
Others

>  <Form> (565)
Free Base

>  <URL> (565)
http://www.selleckchem.com/products/nadifloxacin.html

>  <CAS Number> (565)
124858-35-1

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/02221609172D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (566)
672

>  <Formula> (566)
C20H24ClN

>  <MolWeight> (566)
313.86426

>  <Item Name> (566)
Amitriptyline HCl 

>  <Catalog Number> (566)
S3183

>  <Synonyms> (566)
N/A 

>  <Target> (566)
5-HT Receptor

>  <Form> (566)
HCl 

>  <URL> (566)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (566)
549-18-8

$$$$
LDE225.cdx
csChFnd80/02221609172D

 35 38  0  0  0  0  0  0  0  0999 V2000
   11.1830    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (567)
673

>  <Formula> (567)
C26H26F3N3O3

>  <MolWeight> (567)
485.4981496

>  <Item Name> (567)
LDE225 (NVP-LDE225, Erismodegib)

>  <Catalog Number> (567)
S2151

>  <Synonyms> (567)
N/A 

>  <Target> (567)
Smoothened

>  <Form> (567)
Free Base

>  <URL> (567)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

>  <CAS Number> (567)
956697-53-3

$$$$
Sitafloxacin hydrate(1.5¸öË®).cdx
csChFnd80/02221609172D

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.4578    5.5425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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A   29
1.5H2O
M  END
>  <Mol_ID> (568)
674

>  <Formula> (568)
C19H18ClF2N3O3R

>  <MolWeight> (568)
409.8143264

>  <Item Name> (568)
Sitafloxacin hydrate

>  <Catalog Number> (568)
S2152

>  <Synonyms> (568)
DU 6859A, DU 6859, DU-6859, LS-184401

>  <Target> (568)
Others

>  <Form> (568)
Free Base

>  <URL> (568)
http://www.selleckchem.com/products/Sitafloxacin(DU-6859A).html

>  <CAS Number> (568)
163253-35-8

$$$$
Dabigatran etexilate.cdx
csChFnd80/02221609172D

 46 49  0  0  0  0  0  0  0  0999 V2000
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>  <Target> (569)
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Free Base

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http://www.selleckchem.com/products/BIBR-1048(Dabigatran-etexilate).html

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211915-06-9

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Flt, Bcr-Abl, Aurora Kinase

>  <Form> (570)
Free Base

>  <URL> (570)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (570)
1000669-72-6

$$$$
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csChFnd80/02221609172D

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L-084, TBPM-PI, ME1211 

>  <Target> (571)
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>  <Form> (571)
Free Base

>  <URL> (571)
http://www.selleckchem.com/products/Tebipenem-pivoxil(L-084).html

>  <CAS Number> (571)
161715-24-8

$$$$
raf265.cdx
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>  <Synonyms> (572)
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>  <Target> (572)
Raf, VEGFR

>  <Form> (572)
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>  <URL> (572)
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>  <CAS Number> (572)
927880-90-8

$$$$

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C24H30ClN3O5

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ITF2357 (Givinostat)

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N/A 

>  <Target> (573)
HDAC 

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Chloride

>  <URL> (573)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (573)
732302-99-7

$$$$
Cyclophosphamide monohydrate.cdx
csChFnd80/02221609172D

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681

>  <Formula> (574)
C7H17Cl2N2O3P

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>  <Item Name> (574)
Cyclophosphamide monohydrate

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S2057

>  <Synonyms> (574)
N/A

>  <Target> (574)
Others

>  <Form> (574)
Monohydrate

>  <URL> (574)
http://www.selleckchem.com/products/cyclophosphamide-monohydrate.html

>  <CAS Number> (574)
6055-19-2

$$$$
AG14361.cdx
csChFnd80/02221609172D

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683

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C19H20N4O

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>  <Item Name> (575)
AG14361

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S2178

>  <Synonyms> (575)
N/A

>  <Target> (575)
PARP

>  <Form> (575)
Free Base

>  <URL> (575)
http://www.selleckchem.com/products/AG14361.html

>  <CAS Number> (575)
328543-09-5

$$$$
LY2784544.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (576)
684

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C23H25ClFN7O

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>  <Item Name> (576)
Gandotinib (LY2784544)

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S2179

>  <Synonyms> (576)
N/A

>  <Target> (576)
JAK 

>  <Form> (576)
Free Base

>  <URL> (576)
http://www.selleckchem.com/products/LY2784544.html

>  <CAS Number> (576)
1229236-86-5

$$$$
MLN2238.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (577)
685

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C14H19BCl2N2O4

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>  <Item Name> (577)
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>  <Synonyms> (577)
N/A

>  <Target> (577)
Proteasome 

>  <Form> (577)
Free Base

>  <URL> (577)
http://www.selleckchem.com/products/MLN-2238.html

>  <CAS Number> (577)
1072833-77-2

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (578)
686

>  <Formula> (578)
C19H19ClN2

>  <MolWeight> (578)
310.82056

>  <Item Name> (578)
Desloratadine 

>  <Catalog Number> (578)
S4012

>  <Synonyms> (578)
N/A

>  <Target> (578)
Histamine Receptor

>  <Form> (578)
Free Base

>  <URL> (578)
http://www.selleckchem.com/products/desloratadine.html

>  <CAS Number> (578)
100643-71-8

$$$$
Ornidazole.cdx
csChFnd80/02221609172D

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  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (579)
687

>  <Formula> (579)
C7H10ClN3O3

>  <MolWeight> (579)
219.6256

>  <Item Name> (579)
Ornidazole

>  <Catalog Number> (579)
S3121

>  <Synonyms> (579)
N/A 

>  <Target> (579)
Others

>  <Form> (579)
Free Base

>  <URL> (579)
http://www.selleckchem.com/products/ornidazole.html

>  <CAS Number> (579)
16773-42-5

$$$$
Oxybutynin chloride.cdx
csChFnd80/02221609172D

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.4291    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> (580)
688

>  <Formula> (580)
C22H32ClNO3

>  <MolWeight> (580)
393.94738

>  <Item Name> (580)
Oxybutynin chloride

>  <Catalog Number> (580)
S3117

>  <Synonyms> (580)
N/A 

>  <Target> (580)
AChR

>  <Form> (580)
Chloride

>  <URL> (580)
http://www.selleckchem.com/products/oxybutynin-chloride.html

>  <CAS Number> (580)
1508-65-2

$$$$
MLN9708.cdx
csChFnd80/02221609172D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (581)
689

>  <Formula> (581)
C20H23BCl2N2O9

>  <MolWeight> (581)
517.12162

>  <Item Name> (581)
MLN9708

>  <Catalog Number> (581)
S2181

>  <Synonyms> (581)
N/A

>  <Target> (581)
Proteasome

>  <Form> (581)
Free Base

>  <URL> (581)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (581)
1201902-80-8

$$$$
ivermectin.cdx
csChFnd80/02221609172D

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166518-60-1 

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Syk, Flt

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841290-81-1

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702

>  <Formula> (590)
C23H15ClF2N4O3

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BMS 794833

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S2201

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BMS794833

>  <Target> (590)
c-Met, VEGFR

>  <Form> (590)
Free Base

>  <URL> (590)
http://www.selleckchem.com/products/BMS-794833.html

>  <CAS Number> (590)
1174046-72-0

$$$$
NVP-BHG712.cdx
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>  <Mol_ID> (591)
703

>  <Formula> (591)
C26H20F3N7O

>  <MolWeight> (591)
503.4785096

>  <Item Name> (591)
NVP-BHG712

>  <Catalog Number> (591)
S2202

>  <Synonyms> (591)
N/A

>  <Target> (591)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (591)
Free Base

>  <URL> (591)
http://www.selleckchem.com/products/NVP-BHG712.html

>  <CAS Number> (591)
940310-85-0

$$$$
OSI 420.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (592)
704

>  <Formula> (592)
C21H22ClN3O4

>  <MolWeight> (592)
415.87008

>  <Item Name> (592)
OSI-420 (Desmethyl Erlotinib)

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S2205

>  <Synonyms> (592)
CP-473420 

>  <Target> (592)
EGFR

>  <Form> (592)
Hydrochloride

>  <URL> (592)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

>  <CAS Number> (592)
183320-51-6

$$$$
PIK 293.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (593)
705

>  <Formula> (593)
C22H19N7O

>  <MolWeight> (593)
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>  <Item Name> (593)
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>  <Synonyms> (593)
N/A

>  <Target> (593)
PI3K

>  <Form> (593)
Free Base

>  <URL> (593)
http://www.selleckchem.com/products/PIK-293.html

>  <CAS Number> (593)
900185-01-5 

$$$$
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csChFnd80/02221609172D

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M  END
>  <Mol_ID> (594)
706

>  <Formula> (594)
C19H26O3

>  <MolWeight> (594)
302.40794

>  <Item Name> (594)
Formestane

>  <Catalog Number> (594)
S2208

>  <Synonyms> (594)
Lentaron(R), 17-dione, CGP-32349, NSC 282175 

>  <Target> (594)
Aromatase 

>  <Form> (594)
Free Base

>  <URL> (594)
http://www.selleckchem.com/products/Formestane.html

>  <CAS Number> (594)
566-48-3

$$$$
Vinflunine Tartrate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (595)
708

>  <Formula> (595)
C49H60F2N4O14

>  <MolWeight> (595)
967.0159064

>  <Item Name> (595)
Vinflunine Tartrate

>  <Catalog Number> (595)
S2209

>  <Synonyms> (595)
N/A

>  <Target> (595)
Microtubule Associated

>  <Form> (595)
Tartrate

>  <URL> (595)
http://www.selleckchem.com/products/Vinflunine-Tartrate.html

>  <CAS Number> (595)
1201898-17-0

$$$$
AZ 960.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (596)
709

>  <Formula> (596)
C18H16F2N6

>  <MolWeight> (596)
354.3566464

>  <Item Name> (596)
AZ 960

>  <Catalog Number> (596)
S2214

>  <Synonyms> (596)
N/A

>  <Target> (596)
JAK

>  <Form> (596)
Free Base

>  <URL> (596)
http://www.selleckchem.com/products/AZ-960.html

>  <CAS Number> (596)
905586-69-8

$$$$
DAPT.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (597)
710

>  <Formula> (597)
C23H26F2N2O4

>  <MolWeight> (597)
432.4603464

>  <Item Name> (597)
DAPT (GSI-IX)

>  <Catalog Number> (597)
S2215 

>  <Synonyms> (597)
GSI-IX

>  <Target> (597)
Gamma-secretase, Beta Amyloid

>  <Form> (597)
Free Base

>  <URL> (597)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

>  <CAS Number> (597)
208255-80-5

$$$$
Mubritinib.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (598)
711

>  <Formula> (598)
C25H23F3N4O2

>  <MolWeight> (598)
468.4709296

>  <Item Name> (598)
Mubritinib (TAK 165)

>  <Catalog Number> (598)
S2216

>  <Synonyms> (598)
TAK 165, TAK165

>  <Target> (598)
HER2

>  <Form> (598)
Free Base

>  <URL> (598)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

>  <CAS Number> (598)
366017-09-6

$$$$
irinotecan.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (599)
712

>  <Formula> (599)
C33H45ClN4O9

>  <MolWeight> (599)
677.1848

>  <Item Name> (599)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (599)
S2217 

>  <Synonyms> (599)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (599)
Topoisomerase

>  <Form> (599)
Hydrate

>  <URL> (599)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (599)
136572-09-3

$$$$
PP442.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (600)
713

>  <Formula> (600)
C16H16N6O

>  <MolWeight> (600)
308.33784

>  <Item Name> (600)
Torkinib (PP242)

>  <Catalog Number> (600)
S2218

>  <Synonyms> (600)
TORKinib 

>  <Target> (600)
mTOR

>  <Form> (600)
Free Base

>  <URL> (600)
http://www.selleckchem.com/products/PP242.html

>  <CAS Number> (600)
1092351-67-1

$$$$
CYT 387.cdx
csChFnd80/02221609172D

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JAK 

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Free Base

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>  <CAS Number> (601)
1056634-68-4

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Raf

>  <Form> (602)
Free Base

>  <URL> (602)
http://www.selleckchem.com/products/SB590885.html

>  <CAS Number> (602)
405554-55-4 

$$$$
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EGCG

>  <Target> (603)
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Free Base

>  <URL> (603)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (603)
989-51-5

$$$$
(+)-Usniacin.cdx
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>  <Target> (604)
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Free Base

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>  <CAS Number> (604)
7562-61-0

$$$$
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M  END
>  <Mol_ID> (605)
720

>  <Formula> (605)
C12H13NO2

>  <MolWeight> (605)
203.23712

>  <Item Name> (605)
3-Indolebutyric acid (IBA)

>  <Catalog Number> (605)
S2253

>  <Synonyms> (605)
IBA

>  <Target> (605)
Others

>  <Form> (605)
Free Base

>  <URL> (605)
http://www.selleckchem.com/products/3-Indolebutyric-acid(IBA).html

>  <CAS Number> (605)
133-32-4

$$$$
4-Methylumbelliferone.cdx
csChFnd80/02221609172D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (606)
721

>  <Formula> (606)
C10H8O3

>  <MolWeight> (606)
176.16872

>  <Item Name> (606)
4-Methylumbelliferone (4-MU)

>  <Catalog Number> (606)
S2256

>  <Synonyms> (606)
4-MU

>  <Target> (606)
Others

>  <Form> (606)
Free Base

>  <URL> (606)
http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

>  <CAS Number> (606)
90-33-5

$$$$
AESCULIN.cdx
csChFnd80/02221609172D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (607)
722

>  <Formula> (607)
C15H16O9

>  <MolWeight> (607)
340.28214

>  <Item Name> (607)
Aesculin (Esculin)

>  <Catalog Number> (607)
S2258

>  <Synonyms> (607)
Esculin

>  <Target> (607)
Others

>  <Form> (607)
Free Base

>  <URL> (607)
http://www.selleckchem.com/products/Aesculin(Esculin).html

>  <CAS Number> (607)
531-75-9

$$$$
Amygdalin.cdx
csChFnd80/02221609172D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (608)
723

>  <Formula> (608)
C20H27NO11

>  <MolWeight> (608)
457.42848

>  <Item Name> (608)
Amygdalin

>  <Catalog Number> (608)
S2260

>  <Synonyms> (608)
N/A

>  <Target> (608)
Others

>  <Form> (608)
Free Base

>  <URL> (608)
http://www.selleckchem.com/products/Amygdalin.html

>  <CAS Number> (608)
29883-15-6

$$$$
Andrographolide.cdx
csChFnd80/02221609172D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (609)
724

>  <Formula> (609)
C20H30O5

>  <MolWeight> (609)
350.4492

>  <Item Name> (609)
Andrographolide

>  <Catalog Number> (609)
S2261

>  <Synonyms> (609)
N/A

>  <Target> (609)
Others

>  <Form> (609)
Free Base

>  <URL> (609)
http://www.selleckchem.com/products/Andrographolide.html

>  <CAS Number> (609)
5508-58-7

$$$$
Apigenin.cdx
csChFnd80/02221609172D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (610)
725

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C15H10O5

>  <MolWeight> (610)
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>  <Item Name> (610)
Apigenin

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S2262

>  <Synonyms> (610)
N/A

>  <Target> (610)
P450

>  <Form> (610)
Free Base

>  <URL> (610)
http://www.selleckchem.com/products/Apigenin.html

>  <CAS Number> (610)
520-36-5

$$$$
Arbutin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (611)
726

>  <Formula> (611)
C12H16O7

>  <MolWeight> (611)
272.25124

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Arbutin (Uva, p-Arbutin)

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S2263

>  <Synonyms> (611)
Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

>  <Target> (611)
Others

>  <Form> (611)
Free Base

>  <URL> (611)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

>  <CAS Number> (611)
497-76-7

$$$$
Ipriflavone.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (612)
727

>  <Formula> (612)
C18H16O3

>  <MolWeight> (612)
280.31784

>  <Item Name> (612)
Ipriflavone

>  <Catalog Number> (612)
S2422 

>  <Synonyms> (612)
N/A 

>  <Target> (612)
Others

>  <Form> (612)
Free Base

>  <URL> (612)
http://www.selleckchem.com/products/ipriflavone.html

>  <CAS Number> (612)
35212-22-7

$$$$
Asiatic acid.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (613)
728

>  <Formula> (613)
C30H48O5

>  <MolWeight> (613)
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>  <Item Name> (613)
Asiatic acid

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S2266

>  <Synonyms> (613)
N/A

>  <Target> (613)
p38 MAPK

>  <Form> (613)
Free Base

>  <URL> (613)
http://www.selleckchem.com/products/Asiatic-acid.html

>  <CAS Number> (613)
464-92-6

$$$$
Baicalein.cdx
csChFnd80/02221609172D

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729

>  <Formula> (614)
C15H10O5

>  <MolWeight> (614)
270.2369

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Baicalein

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S2268

>  <Synonyms> (614)
N/A

>  <Target> (614)
P450

>  <Form> (614)
Free Base

>  <URL> (614)
http://www.selleckchem.com/products/Baicalein.html

>  <CAS Number> (614)
491-67-8

$$$$
MPEP.cdx
csChFnd80/02221609172D

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730

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MPEP

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>  <Synonyms> (615)
N/A 

>  <Target> (615)
GluR

>  <Form> (615)
Free Base

>  <URL> (615)
http://www.selleckchem.com/products/mpep.html

>  <CAS Number> (615)
96206-92-7

$$$$
PNU200577.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (616)
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C22H31NO2

>  <MolWeight> (616)
341.48704

>  <Item Name> (616)
5-hydroxymethyl tolterodine (PNU 200577)

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S2659 

>  <Synonyms> (616)
N/A

>  <Target> (616)
AChR 

>  <Form> (616)
Free Base

>  <URL> (616)
http://www.selleckchem.com/products/5-hydroxymethyl-tolterodine-pnu-200577.html

>  <CAS Number> (616)
207679-81-0

$$$$
Baicalin.cdx
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732

>  <Formula> (617)
C21H18O11

>  <MolWeight> (617)
446.36102

>  <Item Name> (617)
Baicalin

>  <Catalog Number> (617)
S2269

>  <Synonyms> (617)
N/A

>  <Target> (617)
Others

>  <Form> (617)
Free Base

>  <URL> (617)
http://www.selleckchem.com/products/Baicalin.html

>  <CAS Number> (617)
21967-41-9

$$$$
Azithromycin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (618)
733

>  <Formula> (618)
C38H72N2O12

>  <MolWeight> (618)
748.98448

>  <Item Name> (618)
Azithromycin

>  <Catalog Number> (618)
s1835

>  <Synonyms> (618)
CP-62993, XZ-450

>  <Target> (618)
autophagy

>  <Form> (618)
Free Base

>  <URL> (618)
http://www.selleckchem.com/products/azithromycin-zithromax.h

>  <CAS Number> (618)
83905-01-5

$$$$
VX 765.cdx
csChFnd80/02221609172D

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    1.6169    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  3  7  1  0  0  0  0
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  1  9  1  0  0  0  0
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 23 15  1  0  0  0  0
 20 24  1  1  0  0  0
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 27 25  1  6  0  0  0
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 29 32  2  0  0  0  0
 31 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (619)
734

>  <Formula> (619)
C24H33ClN4O6

>  <MolWeight> (619)
508.99502

>  <Item Name> (619)
Belnacasan (VX-765)

>  <Catalog Number> (619)
S2228

>  <Synonyms> (619)
N/A

>  <Target> (619)
Caspase

>  <Form> (619)
Free Base

>  <URL> (619)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (619)
273404-37-8

$$$$
Bengenin.cdx
csChFnd80/02221609172D

 25 27  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
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    4.8455    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  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  5  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 14  2  0  0  0  0
 14 10  1  0  0  0  0
  2 15  1  6  0  0  0
  5 16  1  6  0  0  0
  1 17  1  1  0  0  0
  3 18  1  1  0  0  0
  4 19  1  1  0  0  0
 17 20  1  0  0  0  0
  8 21  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
>  <Mol_ID> (620)
735

>  <Formula> (620)
C14H16O9

>  <MolWeight> (620)
328.27144

>  <Item Name> (620)
Bergenin (Cuscutin)

>  <Catalog Number> (620)
S2270

>  <Synonyms> (620)
Cuscutin

>  <Target> (620)
Others

>  <Form> (620)
Free Base

>  <URL> (620)
http://www.selleckchem.com/products/Bergenin-(Cuscutin).html

>  <CAS Number> (620)
477-90-7

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/02221609172D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.6976    0.0000 O   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
    5.6214    0.0802    0.0000 Cl  0  5  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 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 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (621)
736

>  <Formula> (621)
C20H18ClNO4

>  <MolWeight> (621)
371.81422

>  <Item Name> (621)
Berberine Hydrochloride

>  <Catalog Number> (621)
S2271

>  <Synonyms> (621)
N/A

>  <Target> (621)
Others

>  <Form> (621)
Hydrochloride

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

>  <CAS Number> (621)
633-65-8

$$$$
Bilobalide.cdx
csChFnd80/02221609172D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.2921    5.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.4147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9921    3.4147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4247    4.7462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1595    2.0832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2921    1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4247    2.0832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1247    2.5918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2574    3.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8247    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    4.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  4  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  6  0  0  0
  3 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  6  0  0  0
 13 15  2  0  0  0  0
  2 16  2  0  0  0  0
 10 17  2  0  0  0  0
  9 18  1  6  0  0  0
  8 19  1  6  0  0  0
 19 20  1  0  0  0  0
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  8 24  1  1  0  0  0
  6 25  1  1  0  0  0
M  END
>  <Mol_ID> (622)
738

>  <Formula> (622)
C15H18O8

>  <MolWeight> (622)
326.29862

>  <Item Name> (622)
Bilobalide

>  <Catalog Number> (622)
S2276

>  <Synonyms> (622)
N/A

>  <Target> (622)
Others

>  <Form> (622)
Free Base

>  <URL> (622)
http://www.selleckchem.com/products/Bilobalide.html

>  <CAS Number> (622)
33570-04-6

$$$$
Caffeic acid.cdx
csChFnd80/02221609172D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (623)
739

>  <Formula> (623)
C9H8O4

>  <MolWeight> (623)
180.15742

>  <Item Name> (623)
Caffeic acid

>  <Catalog Number> (623)
S2277

>  <Synonyms> (623)
N/A

>  <Target> (623)
Others

>  <Form> (623)
Free Base

>  <URL> (623)
http://www.selleckchem.com/products/Caffeic-acid.html

>  <CAS Number> (623)
331-39-5

$$$$
Chlorogenic acid.cdx
csChFnd80/02221609172D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (624)
740

>  <Formula> (624)
C16H18O9

>  <MolWeight> (624)
354.30872

>  <Item Name> (624)
Chlorogenic acid

>  <Catalog Number> (624)
S2280

>  <Synonyms> (624)
N/A

>  <Target> (624)
Others

>  <Form> (624)
Free Base

>  <URL> (624)
http://www.selleckchem.com/products/Chlorogenic-acid.html

>  <CAS Number> (624)
327-97-9

$$$$
Chrysin.cdx
csChFnd80/02221609172D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  4  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (625)
741

>  <Formula> (625)
C15H10O4

>  <MolWeight> (625)
254.2375

>  <Item Name> (625)
Chrysin

>  <Catalog Number> (625)
S2281

>  <Synonyms> (625)
N/A

>  <Target> (625)
Others

>  <Form> (625)
Free Base

>  <URL> (625)
http://www.selleckchem.com/products/Chrysin.html

>  <CAS Number> (625)
480-40-0

$$$$
Cinchonidine.cdx
csChFnd80/02221609172D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  2  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  3  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 16  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 11 22  1  1  0  0  0
 12 23  1  1  0  0  0
 19 24  1  1  0  0  0
M  END
>  <Mol_ID> (626)
742

>  <Formula> (626)
C19H22N2O

>  <MolWeight> (626)
294.39078

>  <Item Name> (626)
Cinchonidine

>  <Catalog Number> (626)
S2282

>  <Synonyms> (626)
N/A

>  <Target> (626)
Others

>  <Form> (626)
Free Base

>  <URL> (626)
http://www.selleckchem.com/products/Cinchonidine.html

>  <CAS Number> (626)
485-71-2

$$$$
Cryptotanshinone.cdx
csChFnd80/02221609172D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    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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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  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
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (627)
743

>  <Formula> (627)
C19H20O3

>  <MolWeight> (627)
296.3603

>  <Item Name> (627)
Cryptotanshinone

>  <Catalog Number> (627)
S2285 

>  <Synonyms> (627)
N/A

>  <Target> (627)
STAT

>  <Form> (627)
Free Base

>  <URL> (627)
http://www.selleckchem.com/products/Cryptotanshinone.html

>  <CAS Number> (627)
35825-57-1

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/02221609172D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.9024    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1412    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2024    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
  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
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 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
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 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
 23 27  2  0  0  0  0
 13 28  1  0  0  0  0
M  END
>  <Mol_ID> (628)
744

>  <Formula> (628)
C20H25ClN2O5

>  <MolWeight> (628)
408.8759

>  <Item Name> (628)
Amlodipine (Norvasc)

>  <Catalog Number> (628)
S1905

>  <Synonyms> (628)
Istin, Norvasc, Caduet

>  <Target> (628)
Calcium Channel

>  <Form> (628)
Free Base

>  <URL> (628)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (628)
88150-42-9

$$$$
Cyclosporin A.cdx
csChFnd80/02221609172D

 85 85  0  0  0  0  0  0  0  0999 V2000
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    4.8497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (629)
745

>  <Formula> (629)
C62H111N11O12

>  <MolWeight> (629)
1202.61124

>  <Item Name> (629)
Cyclosporin A (Cyclosporine A)

>  <Catalog Number> (629)
S2286

>  <Synonyms> (629)
Cyclosporine A 

>  <Target> (629)
Others

>  <Form> (629)
Free Base

>  <URL> (629)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (629)
59865-13-3

$$$$
Cytisine.cdx
csChFnd80/02221609172D

 14 16  0  0  0  0  0  0  0  0999 V2000
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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> (630)
746

>  <Formula> (630)
C11H14N2O

>  <MolWeight> (630)
190.24166

>  <Item Name> (630)
Cytisine (Baphitoxine, Sophorine)

>  <Catalog Number> (630)
S2287

>  <Synonyms> (630)
Baphitoxine, Sophorine 

>  <Target> (630)
Others

>  <Form> (630)
Free Base

>  <URL> (630)
http://www.selleckchem.com/products/Cytisine(Baphitoxine,-Sophorine).html

>  <CAS Number> (630)
485-35-8 

$$$$
Diosmin.cdx
csChFnd80/02221609172D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (631)
749

>  <Formula> (631)
C28H32O15

>  <MolWeight> (631)
608.54468

>  <Item Name> (631)
Diosmin

>  <Catalog Number> (631)
S2292

>  <Synonyms> (631)
N/A

>  <Target> (631)
Others

>  <Form> (631)
Free Base

>  <URL> (631)
http://www.selleckchem.com/products/Diosmin.html

>  <CAS Number> (631)
520-27-4

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/02221609172D

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.9313    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    2.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0797    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  2  6  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (632)
750

>  <Formula> (632)
C7H16ClNO3

>  <MolWeight> (632)
197.65984

>  <Item Name> (632)
DL-Carnitine hydrochloride

>  <Catalog Number> (632)
S2293

>  <Synonyms> (632)
N/A

>  <Target> (632)
Others

>  <Form> (632)
Hydrochloride

>  <URL> (632)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (632)
461-05-2

$$$$
Emodin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (633)
752

>  <Formula> (633)
C15H10O5

>  <MolWeight> (633)
270.2369

>  <Item Name> (633)
Emodin

>  <Catalog Number> (633)
S2295

>  <Synonyms> (633)
N/A

>  <Target> (633)
Others

>  <Form> (633)
Free Base

>  <URL> (633)
http://www.selleckchem.com/products/Emodin.html

>  <CAS Number> (633)
518-82-1

$$$$
Enoxolone.cdx
csChFnd80/02221609172D

 38 42  0  0  0  0  0  0  0  0999 V2000
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  9 26  1  1  0  0  0
 18 27  1  1  0  0  0
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M  END
>  <Mol_ID> (634)
753

>  <Formula> (634)
C30H46O4

>  <MolWeight> (634)
470.68384

>  <Item Name> (634)
Enoxolone (Glycyrrhetin)

>  <Catalog Number> (634)
S2296

>  <Synonyms> (634)
Glycyrrhetin, Uralenic acid 

>  <Target> (634)
Others

>  <Form> (634)
Free Base

>  <URL> (634)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

>  <CAS Number> (634)
471-53-4

$$$$
10-Hydroxycamptothecin.cdx
csChFnd80/02221609172D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (635)
755

>  <Formula> (635)
C20H16N2O5

>  <MolWeight> (635)
364.35144

>  <Item Name> (635)
10-Hydroxycamptothecin

>  <Catalog Number> (635)
S2423 

>  <Synonyms> (635)
N/A 

>  <Target> (635)
Topoisomerase

>  <Form> (635)
Free Base

>  <URL> (635)
http://www.selleckchem.com/products/10-hydroxycamptothecin.html

>  <CAS Number> (635)
19685-09-7

$$$$
Fisetin.cdx
csChFnd80/02221609172D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
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M  END
>  <Mol_ID> (636)
756

>  <Formula> (636)
C15H10O6

>  <MolWeight> (636)
286.2363

>  <Item Name> (636)
Fisetin (Fustel)

>  <Catalog Number> (636)
S2298

>  <Synonyms> (636)
Fustel, Viset

>  <Target> (636)
Others

>  <Form> (636)
Free Base

>  <URL> (636)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (636)
528-48-3

$$$$
Formononetin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (637)
757

>  <Formula> (637)
C16H12O4

>  <MolWeight> (637)
268.26408

>  <Item Name> (637)
Formononetin (Formononetol)

>  <Catalog Number> (637)
S2299

>  <Synonyms> (637)
Biochanin B, Formononetol 

>  <Target> (637)
Others

>  <Form> (637)
Free Base

>  <URL> (637)
http://www.selleckchem.com/products/Formononetin(Formononetol).html

>  <CAS Number> (637)
485-72-3

$$$$
Fumalic acid.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (638)
758

>  <Formula> (638)
C10H10O4

>  <MolWeight> (638)
194.184

>  <Item Name> (638)
Fumalic acid (Ferulic acid)

>  <Catalog Number> (638)
S2300

>  <Synonyms> (638)
Ferulic acid

>  <Target> (638)
Others

>  <Form> (638)
Free Base

>  <URL> (638)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

>  <CAS Number> (638)
1135-24-6

$$$$
Gramine.cdx
csChFnd80/02221609172D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (639)
760

>  <Formula> (639)
C11H14N2

>  <MolWeight> (639)
174.24226

>  <Item Name> (639)
Gramine

>  <Catalog Number> (639)
S2304

>  <Synonyms> (639)
N/A

>  <Target> (639)
Others

>  <Form> (639)
Free Base

>  <URL> (639)
http://www.selleckchem.com/products/Gramine.html

>  <CAS Number> (639)
87-52-5

$$$$

csChFnd80/02221609172D

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M  END
>  <Mol_ID> (640)
761

>  <Formula> (640)
C47H80O17

>  <MolWeight> (640)
917.1279

>  <Item Name> (640)
Gynostemma Extract

>  <Catalog Number> (640)
S2306

>  <Synonyms> (640)
N/A

>  <Target> (640)
Others

>  <Form> (640)
Free Base

>  <URL> (640)
http://www.selleckchem.com/products/Gynostemma-Extract.html

>  <CAS Number> (640)
80321-63-7 

$$$$
Rotundine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (641)
762

>  <Formula> (641)
C21H25NO4

>  <MolWeight> (641)
355.4275

>  <Item Name> (641)
Rotundine

>  <Catalog Number> (641)
S2437

>  <Synonyms> (641)
N/A 

>  <Target> (641)
Dopamine Receptor

>  <Form> (641)
Free Base

>  <URL> (641)
http://www.selleckchem.com/products/rotundine.html

>  <CAS Number> (641)
483-14-7

$$$$
Tolbutamide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (642)
763

>  <Formula> (642)
C12H18N2O3S

>  <MolWeight> (642)
270.34792

>  <Item Name> (642)
Tolbutamide

>  <Catalog Number> (642)
S2443 

>  <Synonyms> (642)
N/A 

>  <Target> (642)
Potassium Channel 

>  <Form> (642)
Free Base

>  <URL> (642)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (642)
64-77-7

$$$$
Hesperetin.cdx
csChFnd80/02221609172D

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    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (643)
764

>  <Formula> (643)
C16H14O6

>  <MolWeight> (643)
302.27876

>  <Item Name> (643)
Hesperetin

>  <Catalog Number> (643)
S2308

>  <Synonyms> (643)
N/A

>  <Target> (643)
Histamine Receptor

>  <Form> (643)
Free Base

>  <URL> (643)
http://www.selleckchem.com/products/Hesperetin.html

>  <CAS Number> (643)
520-33-2

$$$$
Hesperidin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (644)
765

>  <Formula> (644)
C28H34O15

>  <MolWeight> (644)
610.56056

>  <Item Name> (644)
Hesperidin

>  <Catalog Number> (644)
S2309

>  <Synonyms> (644)
N/A

>  <Target> (644)
NULL

>  <Form> (644)
Free Base

>  <URL> (644)
http://www.selleckchem.com/products/Hesperidin.html

>  <CAS Number> (644)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (645)
766

>  <Formula> (645)
C18H18O2

>  <MolWeight> (645)
266.33432

>  <Item Name> (645)
Honokiol

>  <Catalog Number> (645)
S2310

>  <Synonyms> (645)
N/A

>  <Target> (645)
Akt, MEK

>  <Form> (645)
Free Base

>  <URL> (645)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (645)
35354-74-6

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/02221609172D

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   14.0265    6.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
  5 18  1  1  0  0  0
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 17 22  1  1  0  0  0
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  7 24  1  6  0  0  0
 10 25  1  6  0  0  0
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 22 27  1  6  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (646)
767

>  <Formula> (646)
C24H40O4

>  <MolWeight> (646)
392.572

>  <Item Name> (646)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (646)
S2311

>  <Synonyms> (646)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (646)
Others

>  <Form> (646)
Free Base

>  <URL> (646)
http://www.selleckchem.com/products/Hyodeoxycholic-acid(HDCA).html

>  <CAS Number> (646)
83-49-8

$$$$
Icariin.cdx
csChFnd80/02221609172D

 48 52  0  0  0  0  0  0  0  0999 V2000
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   15.7532   10.4927    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
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  1 32  1  1  0  0  0
  3 33  1  1  0  0  0
 24 34  1  1  0  0  0
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M  END
>  <Mol_ID> (647)
768

>  <Formula> (647)
C33H40O15

>  <MolWeight> (647)
676.6617

>  <Item Name> (647)
Icariin

>  <Catalog Number> (647)
S2312

>  <Synonyms> (647)
N/A

>  <Target> (647)
PDE

>  <Form> (647)
Free Base

>  <URL> (647)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (647)
489-32-7

$$$$
Indole-3-carbinol.cdx
csChFnd80/02221609172D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.7563    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5398    4.2218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (648)
769

>  <Formula> (648)
C9H9NO

>  <MolWeight> (648)
147.17386

>  <Item Name> (648)
Indole-3-carbinol

>  <Catalog Number> (648)
S2313

>  <Synonyms> (648)
N/A

>  <Target> (648)
Others

>  <Form> (648)
Free Base

>  <URL> (648)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (648)
700-06-1

$$$$
Kaempferol.cdx
csChFnd80/02221609172D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 13  1  0  0  0  0
  1 18  1  0  0  0  0
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  7 20  2  0  0  0  0
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M  END
>  <Mol_ID> (649)
770

>  <Formula> (649)
C15H10O6

>  <MolWeight> (649)
286.2363

>  <Item Name> (649)
Kaempferol

>  <Catalog Number> (649)
S2314

>  <Synonyms> (649)
N/A

>  <Target> (649)
Others

>  <Form> (649)
Free Base

>  <URL> (649)
http://www.selleckchem.com/products/Kaempferol.html

>  <CAS Number> (649)
520-18-3

$$$$
Kinetin.cdx
csChFnd80/02221609172D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    7.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2922    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (650)
771

>  <Formula> (650)
C10H9N5O

>  <MolWeight> (650)
215.21136

>  <Item Name> (650)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (650)
S2316

>  <Synonyms> (650)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (650)
Others

>  <Form> (650)
Free Base

>  <URL> (650)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (650)
525-79-1

$$$$
L(+)-Rhamnose Monohydrate.cdx
csChFnd80/02221609172D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.3951    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4951    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.1927    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5903    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4472    0.5977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  6  0  0  0
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M  END
>  <Mol_ID> (651)
772

>  <Formula> (651)
C6H14O6

>  <MolWeight> (651)
182.17176

>  <Item Name> (651)
L (+)-Rhamnose Monohydrate

>  <Catalog Number> (651)
S2317

>  <Synonyms> (651)
N/A

>  <Target> (651)
Others

>  <Form> (651)
Monohydrate

>  <URL> (651)
http://www.selleckchem.com/products/L(+)-Rhamnose-Monohydrate.html

>  <CAS Number> (651)
10030-85-0 

$$$$
Luteolin.cdx
csChFnd80/02221609172D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
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M  END
>  <Mol_ID> (652)
774

>  <Formula> (652)
C15H10O6

>  <MolWeight> (652)
286.2363

>  <Item Name> (652)
Luteolin

>  <Catalog Number> (652)
S2320

>  <Synonyms> (652)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (652)
PDE

>  <Form> (652)
Free Base

>  <URL> (652)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (652)
491-70-3 

$$$$
Magnolol.cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  9 10  2  0  0  0  0
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  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (653)
775

>  <Formula> (653)
C18H18O2

>  <MolWeight> (653)
266.33432

>  <Item Name> (653)
Magnolol

>  <Catalog Number> (653)
S2321

>  <Synonyms> (653)
2,2'-Bichavicol

>  <Target> (653)
Others

>  <Form> (653)
Free Base

>  <URL> (653)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

>  <CAS Number> (653)
528-43-8

$$$$
matrine.cdx
csChFnd80/02221609172D

 22 25  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
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    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
  6 19  1  6  0  0  0
 10 20  1  6  0  0  0
 11 21  1  1  0  0  0
  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (654)
776

>  <Formula> (654)
C15H24N2O

>  <MolWeight> (654)
248.36386

>  <Item Name> (654)
Matrine ((+)-Matrine)

>  <Catalog Number> (654)
S2322

>  <Synonyms> (654)
(+)-Matrine

>  <Target> (654)
Opioid Receptor

>  <Form> (654)
Free Base

>  <URL> (654)
http://www.selleckchem.com/products/Matrine((+)-Matrine).html

>  <CAS Number> (654)
519-02-8 

$$$$
Methyl-Hesperidin.cdx
csChFnd80/02221609172D

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.3771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    7.9771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    7.2771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 31 32  2  0  0  0  0
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  6 33  1  6  0  0  0
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  3 35  1  6  0  0  0
 11 36  1  6  0  0  0
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M  END
>  <Mol_ID> (655)
777

>  <Formula> (655)
C29H38O16

>  <MolWeight> (655)
642.60242

>  <Item Name> (655)
Methyl-Hesperidin

>  <Catalog Number> (655)
S2323

>  <Synonyms> (655)
N/A

>  <Target> (655)
Others

>  <Form> (655)
Free Base

>  <URL> (655)
http://www.selleckchem.com/products/Methyl-Hesperidin.html

>  <CAS Number> (655)
11013-97-1

$$$$
Morin.cdx
csChFnd80/02221609172D

 23 24  0  0  0  0  0  0  0  0999 V2000
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   10.8993    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659    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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (656)
779

>  <Formula> (656)
C15H12O8

>  <MolWeight> (656)
320.25098

>  <Item Name> (656)
Morin hydrate (Aurantica)

>  <Catalog Number> (656)
S2325

>  <Synonyms> (656)
N/A

>  <Target> (656)
Others

>  <Form> (656)
Hydrate

>  <URL> (656)
http://www.selleckchem.com/products/Morin-hydrate(Aurantica).html

>  <CAS Number> (656)
6202-27-3

$$$$
Myricetin.cdx
csChFnd80/02221609172D

 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
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (657)
780

>  <Formula> (657)
C15H10O8

>  <MolWeight> (657)
318.2351

>  <Item Name> (657)
Myricetin (Cannabiscetin)

>  <Catalog Number> (657)
S2326

>  <Synonyms> (657)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (657)
NULL

>  <Form> (657)
Free Base

>  <URL> (657)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

>  <CAS Number> (657)
529-44-2

$$$$
Myricitrin.cdx
csChFnd80/02221609172D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (658)
781

>  <Formula> (658)
C21H20O12

>  <MolWeight> (658)
464.3763

>  <Item Name> (658)
Myricitrin (Myricitrine)

>  <Catalog Number> (658)
S2327

>  <Synonyms> (658)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (658)
Others

>  <Form> (658)
Free Base

>  <URL> (658)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

>  <CAS Number> (658)
17912-87-7

$$$$
Nalidixic acid.cdx
csChFnd80/02221609172D

 17 18  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 N   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
    3.6289    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   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
    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (659)
782

>  <Formula> (659)
C12H12N2O3

>  <MolWeight> (659)
232.23528

>  <Item Name> (659)
Nalidixic acid (NegGram)

>  <Catalog Number> (659)
S2328

>  <Synonyms> (659)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (659)
Others

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (659)
389-08-2

$$$$
Naringin.cdx
csChFnd80/02221609172D

 41 45  0  0  0  0  0  0  0  0999 V2000
    6.1009    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134    7.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382    7.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    7.9680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9507    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7920    5.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    7.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    6.0580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7927    6.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7927    3.6331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8927    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8927    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2927    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0927    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6976    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0538    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  1  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
 21 20  1  1  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 21  1  0  0  0  0
 25 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 26 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 23 35  1  1  0  0  0
 32 36  1  1  0  0  0
 31 37  1  6  0  0  0
 34 38  1  6  0  0  0
 33 39  1  6  0  0  0
 24 40  1  6  0  0  0
 35 41  1  0  0  0  0
M  END
>  <Mol_ID> (660)
783

>  <Formula> (660)
C27H32O14

>  <MolWeight> (660)
580.53458

>  <Item Name> (660)
Naringin (Naringoside)

>  <Catalog Number> (660)
S2329

>  <Synonyms> (660)
Naringoside, Naringenine-7-rhamnosidoglucoside 

>  <Target> (660)
Others

>  <Form> (660)
Free Base

>  <URL> (660)
http://www.selleckchem.com/products/Naringin(Naringoside).html

>  <CAS Number> (660)
10236-47-2 

$$$$
Nobiletin.cdx
csChFnd80/02221609172D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
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  3 16  1  0  0  0  0
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 12 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 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
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (661)
785

>  <Formula> (661)
C21H22O8

>  <MolWeight> (661)
402.39458

>  <Item Name> (661)
Nobiletin (Hexamethoxyflavone)

>  <Catalog Number> (661)
S2333

>  <Synonyms> (661)
N/A 

>  <Target> (661)
Others

>  <Form> (661)
Free Base

>  <URL> (661)
http://www.selleckchem.com/products/Nobiletin(Hexamethoxyflavone).html

>  <CAS Number> (661)
478-01-3

$$$$
Oleanolic Acid.cdx
csChFnd80/02221609172D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.1207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159    4.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 21 25  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  2 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
  4 34  1  6  0  0  0
 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (662)
786

>  <Formula> (662)
C30H48O3

>  <MolWeight> (662)
456.70032

>  <Item Name> (662)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (662)
S2334

>  <Synonyms> (662)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (662)
Others

>  <Form> (662)
Free Base

>  <URL> (662)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (662)
508-02-1

$$$$
OROTIC ACID.cdx
csChFnd80/02221609172D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3927    0.0000 N   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
    4.8413    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3951    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    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  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  2  0  0  0  0
  4  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (663)
788

>  <Formula> (663)
C5H4N2O4

>  <MolWeight> (663)
156.09626

>  <Item Name> (663)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (663)
S2336

>  <Synonyms> (663)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (663)
Others

>  <Form> (663)
Free Base

>  <URL> (663)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (663)
65-86-1

$$$$
Osthole.cdx
csChFnd80/02221609172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0580    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    2.7976    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  1  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
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 18  2  0  0  0  0
M  END
>  <Mol_ID> (664)
789

>  <Formula> (664)
C15H16O3

>  <MolWeight> (664)
244.28574

>  <Item Name> (664)
Osthole (Osthol)

>  <Catalog Number> (664)
S2337

>  <Synonyms> (664)
Osthol, Ostole, Ostol

>  <Target> (664)
Others

>  <Form> (664)
Free Base

>  <URL> (664)
http://www.selleckchem.com/products/Osthole(Osthol).html

>  <CAS Number> (664)
484-12-8

$$$$
Oxymatrine.cdx
csChFnd80/02221609172D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  1  0  0  0
  5 20  1  6  0  0  0
 10 21  1  6  0  0  0
  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (665)
790

>  <Formula> (665)
C15H24N2O2

>  <MolWeight> (665)
264.36326

>  <Item Name> (665)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (665)
S2338

>  <Synonyms> (665)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (665)
Others

>  <Form> (665)
Free Base

>  <URL> (665)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (665)
16837-52-8 

$$$$
Paeonol.cdx
csChFnd80/02221609172D

 12 12  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
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7024    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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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (666)
791

>  <Formula> (666)
C9H10O3

>  <MolWeight> (666)
166.1739

>  <Item Name> (666)
Paeonol (Peonol)

>  <Catalog Number> (666)
S2339

>  <Synonyms> (666)
Peonol

>  <Target> (666)
Others

>  <Form> (666)
Free Base

>  <URL> (666)
http://www.selleckchem.com/products/Paeonol(Peonol).html

>  <CAS Number> (666)
552-41-0 

$$$$
Parthenolide.cdx
csChFnd80/02221609172D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5149    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
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  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (667)
792

>  <Formula> (667)
C15H20O3

>  <MolWeight> (667)
248.3175

>  <Item Name> (667)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (667)
S2341

>  <Synonyms> (667)
N/A 

>  <Target> (667)
Others

>  <Form> (667)
Free Base

>  <URL> (667)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (667)
20554-84-1

$$$$
Phloretin.cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (668)
793

>  <Formula> (668)
C15H14O5

>  <MolWeight> (668)
274.26866

>  <Item Name> (668)
Phloretin (Dihydronaringenin)

>  <Catalog Number> (668)
S2342

>  <Synonyms> (668)
Dihydronaringenin, Phloretol

>  <Target> (668)
Others

>  <Form> (668)
Free Base

>  <URL> (668)
http://www.selleckchem.com/products/Phloretin(Dihydronaringenin).html

>  <CAS Number> (668)
60-82-2

$$$$
Phlorizin.cdx
csChFnd80/02221609172D

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3326    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1202    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  5  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
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 21 22  1  0  0  0  0
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 16 24  1  1  0  0  0
 14 25  1  1  0  0  0
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  7 29  2  0  0  0  0
  3 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (669)
794

>  <Formula> (669)
C21H24O10

>  <MolWeight> (669)
436.40926

>  <Item Name> (669)
Phlorizin (Phloridzin)

>  <Catalog Number> (669)
S2343

>  <Synonyms> (669)
Phlorhizin, Phlorizoside 

>  <Target> (669)
Others

>  <Form> (669)
Free Base

>  <URL> (669)
http://www.selleckchem.com/products/Phlorizin(Phloridzin).html

>  <CAS Number> (669)
60-81-1

$$$$
Piperine.cdx
csChFnd80/02221609172D

 21 23  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
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.0000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4870    2.8000    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
  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
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (670)
795

>  <Formula> (670)
C17H19NO3

>  <MolWeight> (670)
285.33766

>  <Item Name> (670)
Piperine (1-Piperoylpiperidine)

>  <Catalog Number> (670)
S2344

>  <Synonyms> (670)
Piperin 

>  <Target> (670)
Others

>  <Form> (670)
Free Base

>  <URL> (670)
http://www.selleckchem.com/products/Piperine(1-Piperoylpiperidine).html

>  <CAS Number> (670)
94-62-2 

$$$$
Puerarin.cdx
csChFnd80/02221609172D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.6700    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3892    3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890    3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4697    4.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7504    6.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3506    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702    4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    2.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535    5.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0999    2.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9518    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    4.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0492    6.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  6  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 24 27  1  1  0  0  0
 22 28  1  1  0  0  0
 25 29  1  6  0  0  0
 23 30  1  6  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (671)
796

>  <Formula> (671)
C21H20O10

>  <MolWeight> (671)
432.3775

>  <Item Name> (671)
Puerarin (Kakonein)

>  <Catalog Number> (671)
S2346

>  <Synonyms> (671)
NPI-31G 

>  <Target> (671)
Others

>  <Form> (671)
Free Base

>  <URL> (671)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (671)
3681-99-0

$$$$
Quercetin dihydrate.cdx
csChFnd80/02221609172D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (672)
797

>  <Formula> (672)
C15H14O9

>  <MolWeight> (672)
338.26626

>  <Item Name> (672)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (672)
S2347

>  <Synonyms> (672)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (672)
Others

>  <Form> (672)
Dihydrate

>  <URL> (672)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (672)
6151-25-3

$$$$
Rutaecarpine.cdx
csChFnd80/02221609172D

 22 26  0  0  0  0  0  0  0  0999 V2000
    5.6805    4.7484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.1054    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    2.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    2.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.3178    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  5  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 12  1  0  0  0  0
  6 22  2  0  0  0  0
M  END
>  <Mol_ID> (673)
798

>  <Formula> (673)
C18H13N3O

>  <MolWeight> (673)
287.31532

>  <Item Name> (673)
Rutaecarpine (Rutecarpine)

>  <Catalog Number> (673)
S2349

>  <Synonyms> (673)
Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine 

>  <Target> (673)
Others

>  <Form> (673)
Free Base

>  <URL> (673)
http://www.selleckchem.com/products/Rutaecarpine(Rutecarpine).html

>  <CAS Number> (673)
84-26-4

$$$$
Rutin DAB10.cdx
csChFnd80/02221609172D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2620    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   13.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   15.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  1  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 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
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
  3 34  2  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 25  1  1  0  0  0
 15 37  1  1  0  0  0
 22 38  1  1  0  0  0
 21 39  1  6  0  0  0
 23 40  1  6  0  0  0
 24 41  1  6  0  0  0
 14 42  1  6  0  0  0
 16 43  1  6  0  0  0
M  END
>  <Mol_ID> (674)
799

>  <Formula> (674)
C27H30O16

>  <MolWeight> (674)
610.5175

>  <Item Name> (674)
Rutin (Rutoside)

>  <Catalog Number> (674)
S2350

>  <Synonyms> (674)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (674)
NULL

>  <Form> (674)
Free Base

>  <URL> (674)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (674)
153-18-4

$$$$
Salicin.cdx
csChFnd80/02221609172D

 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
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    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  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
 14 15  1  0  0  0  0
 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> (675)
800

>  <Formula> (675)
C13H18O7

>  <MolWeight> (675)
286.27782

>  <Item Name> (675)
Salicin (Salicoside, Salicine)

>  <Catalog Number> (675)
S2351

>  <Synonyms> (675)
Salicoside, Salicine

>  <Target> (675)
Others

>  <Form> (675)
Free Base

>  <URL> (675)
http://www.selleckchem.com/products/Salicin(Salicoside,-Salicine).html

>  <CAS Number> (675)
138-52-3

$$$$
Sclareol.cdx
csChFnd80/02221609172D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.3951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3324    8.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6076    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7903    1.4000    0.0000 C   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
    3.4878    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8200    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428    5.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8612    4.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  3 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 19  2  0  0  0  0
  4 20  1  1  0  0  0
  2 21  1  1  0  0  0
  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (676)
801

>  <Formula> (676)
C20H36O2

>  <MolWeight> (676)
308.49864

>  <Item Name> (676)
Sclareol

>  <Catalog Number> (676)
S2354

>  <Synonyms> (676)
N/A

>  <Target> (676)
Others

>  <Form> (676)
Free Base

>  <URL> (676)
http://www.selleckchem.com/products/Sclareol.html

>  <CAS Number> (676)
515-03-7

$$$$
Sodium Danshensu.cdx
csChFnd80/02221609172D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    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
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.0160    2.2244    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  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (677)
804

>  <Formula> (677)
C9H9NaO5

>  <MolWeight> (677)
220.15453

>  <Item Name> (677)
Sodium Danshensu

>  <Catalog Number> (677)
S2401

>  <Synonyms> (677)
N/A

>  <Target> (677)
P450

>  <Form> (677)
Sodium Salt

>  <URL> (677)
http://www.selleckchem.com/products/Sodium-Danshensu.html

>  <CAS Number> (677)
67920-52-9

$$$$
Isoliquiritigenin.cdx
csChFnd80/02221609172D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (678)
807

>  <Formula> (678)
C15H12O4

>  <MolWeight> (678)
256.25338

>  <Item Name> (678)
Isoliquiritigenin

>  <Catalog Number> (678)
S2404

>  <Synonyms> (678)
N/A

>  <Target> (678)
Others

>  <Form> (678)
Free Base

>  <URL> (678)
http://www.selleckchem.com/products/Isoliquiritigenin.html

>  <CAS Number> (678)
961-29-5

$$$$
Chrysophanic acid.cdx
csChFnd80/02221609172D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    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
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    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  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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (679)
809

>  <Formula> (679)
C15H10O4

>  <MolWeight> (679)
254.2375

>  <Item Name> (679)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (679)
S2406

>  <Synonyms> (679)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (679)
EGFR, mTOR

>  <Form> (679)
Free Base

>  <URL> (679)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (679)
481-74-3

$$$$
Curcumol.cdx
csChFnd80/02221609172D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (680)
810

>  <Formula> (680)
C15H24O2

>  <MolWeight> (680)
236.34986

>  <Item Name> (680)
Curcumol

>  <Catalog Number> (680)
S2407

>  <Synonyms> (680)
N/A

>  <Target> (680)
Others

>  <Form> (680)
Free Base

>  <URL> (680)
http://www.selleckchem.com/products/Curcumol.html

>  <CAS Number> (680)
4871-97-0

$$$$
Amantadine HCl.cdx
csChFnd80/02221609172D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    2.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    4.3748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4136    2.3841    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
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  1  0  0  0  0
  3 10  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (681)
811

>  <Formula> (681)
C10H18ClN

>  <MolWeight> (681)
187.70962

>  <Item Name> (681)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (681)
S2451

>  <Synonyms> (681)
Symmetrel

>  <Target> (681)
Dopamine Receptor

>  <Form> (681)
Hydrochloride

>  <URL> (681)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (681)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/02221609172D

 17 16  0  0  0  0  0  0  0  0999 V2000
    6.0496    3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.9642    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    1.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (682)
812

>  <Formula> (682)
C13H19Cl2NO

>  <MolWeight> (682)
276.20206

>  <Item Name> (682)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (682)
S2452

>  <Synonyms> (682)
Wellbutrin, Zyban, Budeprion

>  <Target> (682)
Dopamine Receptor

>  <Form> (682)
Hydrochloride

>  <URL> (682)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (682)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/02221609172D

 19 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.1585    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9204    4.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5267    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  2  0  0  0  0
M  END
>  <Mol_ID> (683)
813

>  <Formula> (683)
C10H16ClN3O5

>  <MolWeight> (683)
293.70414

>  <Item Name> (683)
Benserazide

>  <Catalog Number> (683)
S2453

>  <Synonyms> (683)
Serazide

>  <Target> (683)
Dopamine Receptor

>  <Form> (683)
Hydrochloride

>  <URL> (683)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (683)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/02221609172D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (684)
814

>  <Formula> (684)
C18H29ClN2O

>  <MolWeight> (684)
324.88866

>  <Item Name> (684)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (684)
S2454

>  <Synonyms> (684)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (684)
Others

>  <Form> (684)
Hydrochloride

>  <URL> (684)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (684)
18010-40-7

$$$$
Astragaloside A.cdx
csChFnd80/02221609172D

 58 65  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117   10.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2661    9.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4432   10.9278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4744    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3242    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5324    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   12.2546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6612    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   12.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   14.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   14.5199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0514   13.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6619   11.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432   15.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3767   16.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786   16.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0809   17.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0809    9.5755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    5.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9620    5.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  4  8  1  1  0  0  0
  3  9  1  6  0  0  0
  1 10  1  6  0  0  0
 11  8  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  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 14  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 20 28  1  1  0  0  0
 14 28  1  1  0  0  0
 19 29  1  1  0  0  0
 22 30  1  1  0  0  0
 17 31  1  6  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 36 38  1  1  0  0  0
 34 39  1  1  0  0  0
 37 40  1  6  0  0  0
 35 41  1  6  0  0  0
 39 42  1  0  0  0  0
 21 43  1  6  0  0  0
 27 44  1  0  0  0  0
 26 45  1  1  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 44  1  0  0  0  0
 44 50  1  6  0  0  0
 48 51  1  1  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 51 54  1  0  0  0  0
 27 55  1  6  0  0  0
 13 56  1  6  0  0  0
 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
M  END
>  <Mol_ID> (685)
815

>  <Formula> (685)
C41H68O14

>  <MolWeight> (685)
784.97022

>  <Item Name> (685)
Astragaloside A

>  <Catalog Number> (685)
S2415

>  <Synonyms> (685)
Cyclosiversioside F

>  <Form> (685)
Free Base

>  <URL> (685)
http://www.selleckchem.com/products/astragaloside-a.html

>  <CAS Number> (685)
83207-58-3

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/02221609172D

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.2167    2.9122    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4333    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.9146    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8582    3.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.5146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (686)
816

>  <Formula> (686)
C7H17ClN2O2

>  <MolWeight> (686)
196.67508

>  <Item Name> (686)
Bethanechol chloride

>  <Catalog Number> (686)
S2455

>  <Synonyms> (686)
N/A 

>  <Target> (686)
AChR

>  <Form> (686)
Chloride

>  <URL> (686)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (686)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/02221609172D

 22 23  0  0  0  0  0  0  0  0999 V2000
    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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    2.8000    0.0000 N   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 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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7452    6.2563    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
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  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
 10 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
 13 21  1  0  0  0  0
M  END
>  <Mol_ID> (687)
817

>  <Formula> (687)
C17H20Cl2N2S

>  <MolWeight> (687)
355.3251

>  <Item Name> (687)
Chlorpromazine (Sonazine)

>  <Catalog Number> (687)
S2456

>  <Synonyms> (687)
Promacid

>  <Target> (687)
Dopamine Receptor, Potassium Channel

>  <Form> (687)
Hydrochloride

>  <URL> (687)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (687)
69-09-0

$$$$
Clindamycin HCl.cdx
csChFnd80/02221609172D

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.3521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    3.9521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.2521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.9521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    5.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.0521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.8521    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8455    3.2521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    1.1521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.9497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7576    3.3802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6944    4.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9944    5.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6250    5.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4472    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    6.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9493    7.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    8.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034    0.0000    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  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  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 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (688)
818

>  <Formula> (688)
C18H34Cl2N2O5S

>  <MolWeight> (688)
461.44396

>  <Item Name> (688)
Clindamycin hydrochloride (Dalacin)

>  <Catalog Number> (688)
S2457

>  <Synonyms> (688)
Dalacin, Duac, BenzaClin,Clindoxyl, Acanya 

>  <Target> (688)
Others

>  <Form> (688)
Hydrochloride

>  <URL> (688)
http://www.selleckchem.com/products/Clindamycin-hydrochloride(Dalacin).html

>  <CAS Number> (688)
21462-39-5

$$$$
Clonidine HCl.cdx
csChFnd80/02221609172D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.5191    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    2.2243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203    4.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7333    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (689)
819

>  <Formula> (689)
C9H10Cl3N3

>  <MolWeight> (689)
266.5548

>  <Item Name> (689)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (689)
S2458

>  <Synonyms> (689)
Catapres

>  <Target> (689)
Adrenergic Receptor

>  <Form> (689)
Hydrochloride

>  <URL> (689)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (689)
4205-91-8

$$$$
Clozapine.cdx
csChFnd80/02221609172D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.2701    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8956    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2071    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1808    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1888    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5754    4.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9715    4.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7903    7.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942    7.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7868    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  6  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  7  1  0  0  0  0
  2 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  3  1  0  0  0  0
  9 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (690)
820

>  <Formula> (690)
C18H19ClN4

>  <MolWeight> (690)
326.82326

>  <Item Name> (690)
Clozapine (Clozaril)

>  <Catalog Number> (690)
S2459

>  <Synonyms> (690)
Leponex, Fazaclo

>  <Target> (690)
5-HT Receptor

>  <Form> (690)
Free Base

>  <URL> (690)
http://www.selleckchem.com/products/Clozapine(Clozaril).html

>  <CAS Number> (690)
5786-21-0

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/02221609172D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9642    5.9849    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  2  0  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
M  END
>  <Mol_ID> (691)
821

>  <Formula> (691)
C19H28O2

>  <MolWeight> (691)
288.42442

>  <Item Name> (691)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (691)
S2604

>  <Synonyms> (691)
DHEA

>  <Target> (691)
Androgen Receptor

>  <Form> (691)
Free Base

>  <URL> (691)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (691)
53-43-0

$$$$
Domperidone.cdx
csChFnd80/02221609172D

 30 34  0  0  0  0  0  0  0  0999 V2000
    5.2260    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467    1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    2.1944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    3.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    3.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    4.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    3.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4880    4.2920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7670    3.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7037    4.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0037    5.9754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6343    5.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1996    2.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5690    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5058    3.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0731    4.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    4.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5975    6.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8704    2.8503    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
  1  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  2  0  0  0  0
  9  5  1  0  0  0  0
  8 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  9  1  0  0  0  0
  4 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  4  1  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 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
  6 28  2  0  0  0  0
 23 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (692)
822

>  <Formula> (692)
C22H24ClN5O2

>  <MolWeight> (692)
425.91126

>  <Item Name> (692)
Domperidone (Motilium)

>  <Catalog Number> (692)
S2461

>  <Synonyms> (692)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (692)
Dopamine Receptor

>  <Form> (692)
Free Base

>  <URL> (692)
http://www.selleckchem.com/products/Domperidone(Motilium).html

>  <CAS Number> (692)
57808-66-9

$$$$
Estriol.cdx
csChFnd80/02221609172D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 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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    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    1.4000    0.0000 H   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
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (693)
824

>  <Formula> (693)
C18H24O3

>  <MolWeight> (693)
288.38136

>  <Item Name> (693)
Estriol

>  <Catalog Number> (693)
S2466

>  <Synonyms> (693)
Oestriol

>  <Target> (693)
Estrogen/progestogen Receptor

>  <Form> (693)
Free Base

>  <URL> (693)
http://www.selleckchem.com/products/Estriol(Oestriol).html

>  <CAS Number> (693)
50-27-1

$$$$
Famciclovir.cdx
csChFnd80/02221609172D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.5253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.6927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    8.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    9.9580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275    2.0951    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
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (694)
825

>  <Formula> (694)
C14H19N5O4

>  <MolWeight> (694)
321.33176

>  <Item Name> (694)
Famciclovir (Famvir)

>  <Catalog Number> (694)
S2467

>  <Synonyms> (694)
Famvir

>  <Target> (694)
Others

>  <Form> (694)
Free Base

>  <URL> (694)
http://www.selleckchem.com/products/Famciclovir(Famvir).html

>  <CAS Number> (694)
104227-87-4

$$$$
Gallamine triethiodide.cdx
csChFnd80/02221609172D

 39 36  0  0  0  0  0  0  0  0999 V2000
    8.1209    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1209    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    5.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    6.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    7.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540    8.2129    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.7540    4.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1705    4.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3787    3.3250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9127    4.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4962    4.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880    3.3250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.9664    8.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4540    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0540    9.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540   10.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3187    8.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    5.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5911    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6787    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0787    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4310    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9535    1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3264    1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9880    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6257    0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0924    4.7392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    8.7924    3.3392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 33 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (695)
828

>  <Formula> (695)
C30H60I3N3O3

>  <MolWeight> (695)
891.52911

>  <Item Name> (695)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (695)
S2471

>  <Synonyms> (695)
Flaxedil

>  <Target> (695)
AChR

>  <Form> (695)
Lodine salt

>  <URL> (695)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (695)
65-29-2

$$$$
Hexestrol.cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5927    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
    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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  8  3  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  6  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
M  END
>  <Mol_ID> (696)
830

>  <Formula> (696)
C18H22O2

>  <MolWeight> (696)
270.36608

>  <Item Name> (696)
Hexestrol (Bibenzyl)

>  <Catalog Number> (696)
S2473

>  <Synonyms> (696)
Bibenzyl, Cycloestrol, Dihydro-stilbestro, Dihydrostilbestrol, Estra-Plex 

>  <Target> (696)
Estrogen/progestogen Receptor

>  <Form> (696)
Free Base

>  <URL> (696)
http://www.selleckchem.com/products/Hexestrol(Bibenzyl).html

>  <CAS Number> (696)
84-16-2

$$$$
Imatinib.cdx
csChFnd80/02221609172D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8951    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
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    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
    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
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    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
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 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  7  1  0  0  0  0
  9 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  9  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 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 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (697)
831

>  <Formula> (697)
C29H31N7O

>  <MolWeight> (697)
493.60274

>  <Item Name> (697)
Imatinib (STI571) 

>  <Catalog Number> (697)
S2475 

>  <Synonyms> (697)
STI571, Glivec

>  <Form> (697)
Free Base

>  <URL> (697)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (697)
152459-95-5

$$$$
Lincomycin  HCl.cdx
csChFnd80/02221609172D

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.4417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.7417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.4417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    7.6417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    9.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571   10.2078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571   11.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877   11.1291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509   12.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446   10.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646   11.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6521   11.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7441    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7118    0.0000    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  6  0  0  0
  7 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  1  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
 18 19  1  0  0  0  0
 16 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  6  0  0  0
  4 25  1  6  0  0  0
 25 26  1  0  0  0  0
  8 27  1  1  0  0  0
  6 28  1  6  0  0  0
M  END
>  <Mol_ID> (698)
832

>  <Formula> (698)
C18H35ClN2O6S

>  <MolWeight> (698)
442.9983

>  <Item Name> (698)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (698)
S2479

>  <Synonyms> (698)
Lincocin

>  <Target> (698)
Others

>  <Form> (698)
Hydrochloride

>  <URL> (698)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (698)
859-18-7

$$$$
Loperamide HCl.cdx
csChFnd80/02221609172D

 35 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  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9051    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2675    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2775    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9252    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5629    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5528    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2373    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2273    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8649    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5126    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5227    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1555    0.6854    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
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  8 14  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 24 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 24  1  0  0  0  0
M  END
>  <Mol_ID> (699)
833

>  <Formula> (699)
C29H34Cl2N2O2

>  <MolWeight> (699)
513.49846

>  <Item Name> (699)
Loperamide hydrochloride

>  <Catalog Number> (699)
S2480

>  <Synonyms> (699)
N/A

>  <Target> (699)
Opioid Receptor

>  <Form> (699)
Hydrochloride

>  <URL> (699)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (699)
34552-83-5

$$$$
Manidipine.cdx
csChFnd80/02221609172D

 45 49  0  0  0  0  0  0  0  0999 V2000
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8951    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
    6.0538    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200   13.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Calcium Channel

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Free Base

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89226-50-6

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Gamma-secretase

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http://www.selleckchem.com/products/ly-411575.html

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209984-57-6

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Src

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FXR

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629664-81-9

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   16.9531    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7766    6.6427    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
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 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
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 36 37  1  0  0  0  0
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 40 34  1  0  0  0  0
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 44 45  2  0  0  0  0
 45 35  1  0  0  0  0
M  END
>  <Mol_ID> (707)
844

>  <Formula> (707)
C35H40Cl2N4O6

>  <MolWeight> (707)
683.6213

>  <Item Name> (707)
Manidipine dihydrochloride (CV-4093)

>  <Catalog Number> (707)
S2482

>  <Synonyms> (707)
N/A

>  <Target> (707)
Calcium Channel

>  <Form> (707)
Dihydrochloride

>  <URL> (707)
http://www.selleckchem.com/products/Manidipine-dihydrochloride(CV-4093).html

>  <CAS Number> (707)
89226-75-5

$$$$
Milrinone.cdx
csChFnd80/02221609172D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 C   0  0  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
    7.2662    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
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 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <Mol_ID> (708)
845

>  <Formula> (708)
C12H9N3O

>  <MolWeight> (708)
211.21936

>  <Item Name> (708)
Milrinone (Primacor)

>  <Catalog Number> (708)
S2484

>  <Synonyms> (708)
Primacor

>  <Target> (708)
ATPase

>  <Form> (708)
Free Base

>  <URL> (708)
http://www.selleckchem.com/products/Milrinone(Primacor).html

>  <CAS Number> (708)
78415-72-2

$$$$

csChFnd80/02221609172D

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.8002   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -7.7100    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  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
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 10 17  2  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 11 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (709)
846

>  <Formula> (709)
C22H30Cl2N4O6

>  <MolWeight> (709)
517.4028

>  <Item Name> (709)
Mitoxantrone Hydrochloride

>  <Catalog Number> (709)
S2485

>  <Synonyms> (709)
Novantrone

>  <Target> (709)
Others

>  <Form> (709)
Hydrochloride

>  <URL> (709)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (709)
70476-82-3

$$$$
Moroxydine HCl.cdx
csChFnd80/02221609172D

 13 12  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 O   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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 N   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
    6.0496    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8014    1.3417    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
  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
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (710)
847

>  <Formula> (710)
C6H14ClN5O

>  <MolWeight> (710)
207.66126

>  <Item Name> (710)
Moroxydine

>  <Catalog Number> (710)
S2486

>  <Synonyms> (710)
N/A

>  <Target> (710)
Others

>  <Form> (710)
Hydrochloride

>  <URL> (710)
http://www.selleckchem.com/products/Moroxydine-hydrochloride.html

>  <CAS Number> (710)
3160-91-6

$$$$
Mycophenolic acid.cdx
csChFnd80/02221609172D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13  5  1  0  0  0  0
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  3 16  1  0  0  0  0
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M  END
>  <Mol_ID> (711)
848

>  <Formula> (711)
C17H20O6

>  <MolWeight> (711)
320.3371

>  <Item Name> (711)
Mycophenolic (Mycophenolate)

>  <Catalog Number> (711)
S2487

>  <Synonyms> (711)
Mycophenolate

>  <Target> (711)
Others

>  <Form> (711)
Free Base

>  <URL> (711)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

>  <CAS Number> (711)
24280-93-1

$$$$
nateglinide.cdx
csChFnd80/02221609172D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (712)
849

>  <Formula> (712)
C19H27NO3

>  <MolWeight> (712)
317.42258

>  <Item Name> (712)
Nateglinide (Starlix)

>  <Catalog Number> (712)
S2489

>  <Synonyms> (712)
Starlix

>  <Target> (712)
Potassium Channel

>  <Form> (712)
Free Base

>  <URL> (712)
http://www.selleckchem.com/products/Nateglinide(Starlix).html

>  <CAS Number> (712)
105816-04-4

$$$$
Itraconazole.cdx
csChFnd80/02221609172D

 49 55  0  0  0  0  0  0  0  0999 V2000
   13.1467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    2.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.2370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.4550    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    2.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    3.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0239    0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9152    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.1897    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3184    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    4.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0421    6.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    5.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    3.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    2.1146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3676    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.4114    6.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0470    8.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    9.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8096    8.5373    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
  6  7  1  0  0  0  0
  3  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
 13  7  1  0  0  0  0
 11 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
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 24 20  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 30  1  0  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 31  1  0  0  0  0
 33 36  1  1  0  0  0
 33 37  1  6  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 42 43  1  0  0  0  0
 40 44  1  0  0  0  0
 36 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 45  1  0  0  0  0
M  END
>  <Mol_ID> (713)
850

>  <Formula> (713)
C35H38Cl2N8O4

>  <MolWeight> (713)
705.63342

>  <Item Name> (713)
Itraconazole (Sporanox)

>  <Catalog Number> (713)
S2476

>  <Synonyms> (713)
Sporanox

>  <Target> (713)
Others

>  <Form> (713)
Free Base

>  <URL> (713)
http://www.selleckchem.com/products/Itraconazole(Sporanox).html

>  <CAS Number> (713)
84625-61-6

$$$$
Nitrendipine.cdx
csChFnd80/02221609172D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    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
    7.2662    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3879    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6827    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  3  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
    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 N   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
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  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
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  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
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (714)
852

>  <Formula> (714)
C18H20N2O6

>  <MolWeight> (714)
360.3612

>  <Item Name> (714)
Nitrendipine

>  <Catalog Number> (714)
S2491

>  <Synonyms> (714)
N/A

>  <Target> (714)
Calcium Channel

>  <Form> (714)
Free Base

>  <URL> (714)
http://www.selleckchem.com/products/Nitrendipine.html

>  <CAS Number> (714)
39562-70-4

$$$$
Novobiocin sodium.cdx
csChFnd80/02221609172D

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    9.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.1781    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5988    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0166    8.0306    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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  9  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
  1 28  1  1  0  0  0
  3 29  1  6  0  0  0
  2 30  1  6  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
 10 37  1  0  0  0  0
 15 38  2  0  0  0  0
 26 39  1  0  0  0  0
 25 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (715)
853

>  <Formula> (715)
C31H35N2NaO11

>  <MolWeight> (715)
634.60617

>  <Item Name> (715)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (715)
S2492

>  <Synonyms> (715)
Albamycin, Cathomycin

>  <Target> (715)
Others

>  <Form> (715)
Sodium Salt

>  <URL> (715)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (715)
1476-53-5

$$$$
Olanzapine.cdx
csChFnd80/02221609172D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.9370    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    0.2342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    1.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    2.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8146    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2423    4.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6384    4.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2458    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4572    7.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    7.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4536    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  6  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  7  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  3  1  0  0  0  0
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (716)
854

>  <Formula> (716)
C17H20N4S

>  <MolWeight> (716)
312.4325

>  <Item Name> (716)
Olanzapine (Zyprexa)

>  <Catalog Number> (716)
S2493

>  <Synonyms> (716)
Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera 

>  <Target> (716)
5-HT Receptor, Dopamine Receptor

>  <Form> (716)
Free Base

>  <URL> (716)
http://www.selleckchem.com/products/Olanzapine(Zyprexa).html

>  <CAS Number> (716)
132539-06-1

$$$$
Olopatadine HCl.cdx
csChFnd80/02221609172D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.9370    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    7.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    8.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    8.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    7.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    6.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.3115    5.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    5.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    5.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    7.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5616    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    4.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9183    5.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410    4.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2287    6.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7551    0.3500    0.0000 Cl  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
  3  4  2  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  2  0  0  0  0
  8  1  1  0  0  0  0
  7  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  8  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
  2 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
 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (717)
855

>  <Formula> (717)
C21H24ClNO3

>  <MolWeight> (717)
373.87316

>  <Item Name> (717)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (717)
S2494

>  <Synonyms> (717)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (717)
Histamine Receptor

>  <Form> (717)
Hydrochloride

>  <URL> (717)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (717)
140462-76-6

$$$$
Ozagrel.cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.6322    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (718)
857

>  <Formula> (718)
C13H12N2O2

>  <MolWeight> (718)
228.24658

>  <Item Name> (718)
Ozagrel

>  <Catalog Number> (718)
S2496

>  <Synonyms> (718)
OKY 046 

>  <Target> (718)
Factor Xa

>  <Form> (718)
Free Base

>  <URL> (718)
http://www.selleckchem.com/products/Ozagrel.html

>  <CAS Number> (718)
82571-53-7

$$$$
Pancuronium bromide.cdx
csChFnd80/02221609172D

 47 50  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0268    4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8497    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0268    6.7278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4579    8.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    3.6373    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5243    9.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555   10.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1597    8.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0448    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3448    6.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9448    6.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7224    5.2092    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    7.3224    5.2092    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  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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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 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
  1 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 16 23  1  1  0  0  0
  2 24  1  6  0  0  0
  4 25  1  6  0  0  0
 10 26  1  6  0  0  0
 11 27  1  6  0  0  0
 18 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 18  1  0  0  0  0
 18 33  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 22 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 23 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 23  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
>  <Mol_ID> (719)
858

>  <Formula> (719)
C35H60Br2N2O4

>  <MolWeight> (719)
732.6699

>  <Item Name> (719)
Pancuronium (Pavulon)

>  <Catalog Number> (719)
S2497

>  <Synonyms> (719)
N/A 

>  <Target> (719)
AChR

>  <Form> (719)
Bromide

>  <URL> (719)
http://www.selleckchem.com/products/Pancuronium-bromide(Pavulon).html

>  <CAS Number> (719)
15500-66-0

$$$$
GSK2126458.cdx
csChFnd80/02221609172D

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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859

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Omipalisib (GSK2126458, GSK458)

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S2658

>  <Synonyms> (720)
N/A 

>  <Target> (720)
PI3K, mTOR

>  <Form> (720)
Free Base

>  <URL> (720)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (720)
1086062-66-9 

$$$$
Quinine hydrochloride dihydrate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (721)
860

>  <Formula> (721)
C20H29ClN2O4

>  <MolWeight> (721)
396.90826

>  <Item Name> (721)
Quinine hydrochloride dihydrate

>  <Catalog Number> (721)
S2502

>  <Synonyms> (721)
N/A

>  <Target> (721)
Others

>  <Form> (721)
Dydrate

>  <URL> (721)
http://www.selleckchem.com/products/Quinine-hydrochloride-dihydrate.html

>  <CAS Number> (721)
6119-47-7 

$$$$
Racecadotril.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (722)
861

>  <Formula> (722)
C21H23NO4S

>  <MolWeight> (722)
385.47662

>  <Item Name> (722)
Racecadotril (Acetorphan)

>  <Catalog Number> (722)
S2503

>  <Synonyms> (722)
Acetorphan

>  <Target> (722)
Opioid Receptor

>  <Form> (722)
Free Base

>  <URL> (722)
http://www.selleckchem.com/products/Racecadotril(Acetorphan).html

>  <CAS Number> (722)
81110-73-8

$$$$
Ribavirin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (723)
862

>  <Formula> (723)
C8H12N4O5

>  <MolWeight> (723)
244.20468

>  <Item Name> (723)
Ribavirin (Copegus)

>  <Catalog Number> (723)
S2504

>  <Synonyms> (723)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (723)
Others

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Free Base

>  <URL> (723)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

>  <CAS Number> (723)
36791-04-5

$$$$
Rosiglitazone maleate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (724)
863

>  <Formula> (724)
C22H23N3O7S

>  <MolWeight> (724)
473.49892

>  <Item Name> (724)
Rosiglitazone maleate

>  <Catalog Number> (724)
S2505

>  <Synonyms> (724)
N/A

>  <Target> (724)
PPAR

>  <Form> (724)
Maleate

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

>  <CAS Number> (724)
155141-29-0

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/02221609172D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0387    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0387    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8305    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8801    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8801    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998    5.4492    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.3953    6.2032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6783    6.7619    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0998    8.2131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    6.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6638    4.9957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6683    7.7519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    7.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970    3.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    9.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    4.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5340    6.9076    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  5  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  5  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20  1  1  6  0  0  0
 16 21  1  6  0  0  0
 15 22  1  6  0  0  0
 14 23  1  6  0  0  0
 15 24  1  0  0  0  0
 24 14  1  0  0  0  0
 17 25  1  0  0  0  0
 13 26  1  1  0  0  0
M  END
>  <Mol_ID> (725)
865

>  <Formula> (725)
C17H22BrNO4

>  <MolWeight> (725)
384.26488

>  <Item Name> (725)
Scopolamine hydrobromide

>  <Catalog Number> (725)
S2508

>  <Synonyms> (725)
N/A

>  <Target> (725)
Others

>  <Form> (725)
Hydrobromide

>  <URL> (725)
http://www.selleckchem.com/products/Scopolamine-hydrobromide.html

>  <CAS Number> (725)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/02221609172D

 19 18  0  0  0  0  0  0  0  0999 V2000
    5.5878    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    2.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    2.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    5.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    5.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7878    3.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    2.7834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1878    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2754    2.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7003    3.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.9958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4951    2.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.7876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    0.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    5.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (726)
866

>  <Formula> (726)
C12H21ClN2O3S

>  <MolWeight> (726)
308.82474

>  <Item Name> (726)
Sotalol (Betapace)

>  <Catalog Number> (726)
S2509

>  <Synonyms> (726)
Sotalex

>  <Target> (726)
Adrenergic Receptor

>  <Form> (726)
Hydrochloride

>  <URL> (726)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (726)
959-24-0

$$$$
Spectinomycin  HCl.cdx
csChFnd80/02221609172D

 28 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.1417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.8417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    8.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    4.2313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    4.2313    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
  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 11 15  2  0  0  0  0
  9 16  1  1  0  0  0
  8 17  1  1  0  0  0
  3 18  1  1  0  0  0
  2 19  1  1  0  0  0
  1 20  1  1  0  0  0
  6 21  1  6  0  0  0
  5 22  1  6  0  0  0
 13 23  1  6  0  0  0
  4 24  1  1  0  0  0
 20 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
>  <Mol_ID> (727)
867

>  <Formula> (727)
C14H26Cl2N2O7

>  <MolWeight> (727)
405.27144

>  <Item Name> (727)
Spectinomycin  hydrochloride

>  <Catalog Number> (727)
S2510

>  <Synonyms> (727)
N/A

>  <Target> (727)
Others

>  <Form> (727)
Hydrochloride

>  <URL> (727)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (727)
21736-83-4

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/02221609172D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7389    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
 10  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  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
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (728)
869

>  <Formula> (728)
C21H26ClN

>  <MolWeight> (728)
327.89084

>  <Item Name> (728)
Terbinafine hydrochloride (Lamisil)

>  <Catalog Number> (728)
S2557

>  <Synonyms> (728)
Zabel

>  <Target> (728)
Others

>  <Form> (728)
Hydrochloride

>  <URL> (728)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

>  <CAS Number> (728)
78628-80-5

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/02221609172D

 38 37  0  0  0  0  0  0  0  0999 V2000
    4.8518    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    4.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    2.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    5.5392    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    2.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    5.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1849    6.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    5.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7553    5.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7553    6.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    7.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    6.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    9.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9097    6.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    7.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179    3.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179    8.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8826    3.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3137    2.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4338    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7338    2.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 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 10  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  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 18  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 24  2  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (729)
870

>  <Formula> (729)
C23H39ClN6O7S

>  <MolWeight> (729)
579.10976

>  <Item Name> (729)
Vardenafil Hydrochloride Trihydrate (Vivanza

>  <Catalog Number> (729)
S2515

>  <Synonyms> (729)
Levitra 

>  <Target> (729)
PDE

>  <Form> (729)
Dydrate

>  <URL> (729)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (729)
224785-90-4

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/02221609172D

 22 24  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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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 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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   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
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5098    2.5083    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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 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
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  7  1  0  0  0  0
M  END
>  <Mol_ID> (730)
871

>  <Formula> (730)
C20H24ClN

>  <MolWeight> (730)
313.86426

>  <Item Name> (730)
Maprotiline hydrochloride

>  <Catalog Number> (730)
S2517

>  <Synonyms> (730)
Deprilept, Ludiomil, Psymion

>  <Target> (730)
Reuptake inhibitor

>  <Form> (730)
Hydrochloride

>  <URL> (730)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (730)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3327    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9201    3.3104    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
  5 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  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (731)
872

>  <Formula> (731)
C14H15ClN2

>  <MolWeight> (731)
246.7353

>  <Item Name> (731)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (731)
S2519

>  <Synonyms> (731)
Naphcon, Albalon

>  <Target> (731)
Adrenergic Receptor

>  <Form> (731)
Hydrochloride

>  <URL> (731)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (731)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/02221609172D

 23 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.4122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    5.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.4146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    3.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8193    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    2.1024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8193    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2484    1.4024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2484    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4609    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4609    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6733    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
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  6  0  0  0
 15 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (732)
873

>  <Formula> (732)
C13H19NO9

>  <MolWeight> (732)
333.29126

>  <Item Name> (732)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (732)
S2521

>  <Synonyms> (732)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (732)
Adrenergic Receptor

>  <Form> (732)
Bitartrate

>  <URL> (732)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (732)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/02221609172D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    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
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   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
    7.2831    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (733)
874

>  <Formula> (733)
C9H13NO3

>  <MolWeight> (733)
183.20442

>  <Item Name> (733)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (733)
S2522

>  <Synonyms> (733)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (733)
Others

>  <Form> (733)
Free Base

>  <URL> (733)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (733)
51-43-4

$$$$
Phenytoin sodium.cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.3373    4.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7067    4.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7435    5.1871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0750    4.7545    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2840    0.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3322    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
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  3  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 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 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  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
M  END
>  <Mol_ID> (734)
875

>  <Formula> (734)
C15H11N2NaO2

>  <MolWeight> (734)
274.24981

>  <Item Name> (734)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (734)
S2524

>  <Synonyms> (734)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (734)
Sodium Channel

>  <Form> (734)
Sodium Salt

>  <URL> (734)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (734)
630-93-3

$$$$
Phenytoin.cdx
csChFnd80/02221609172D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.1249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    4.1353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9922    4.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6449    6.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654    3.7042    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
    3.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  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> (735)
876

>  <Formula> (735)
C15H12N2O2

>  <MolWeight> (735)
252.26798

>  <Item Name> (735)
Phenytoin (Lepitoin)

>  <Catalog Number> (735)
S2525

>  <Synonyms> (735)
Di-Hydan, Dihycon, Dilabid, Diphedan, Diphenat, Diphenylan, Diphenylhydantoin, Hydantol, Lehydan, NS

>  <Target> (735)
Sodium Channel

>  <Form> (735)
Free Base

>  <URL> (735)
http://www.selleckchem.com/products/Phenytoin-Lepitoin.html

>  <CAS Number> (735)
57-41-0

$$$$
Methacycline hydrochloride.cdx
csChFnd80/02221609172D

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.5771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.5771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.4771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4971    8.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4770    8.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  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
  8 11  2  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  9  1  0  0  0  0
 12 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 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 17  1  0  0  0  0
  3 22  1  0  0  0  0
 10 23  2  0  0  0  0
  7 24  2  0  0  0  0
 15 25  2  0  0  0  0
 19 26  2  0  0  0  0
  9 27  1  6  0  0  0
 14 28  1  6  0  0  0
 13 29  1  6  0  0  0
 18 30  1  6  0  0  0
 12 31  1  6  0  0  0
 11 32  1  0  0  0  0
  7  8  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (736)
877

>  <Formula> (736)
C22H23ClN2O8

>  <MolWeight> (736)
478.87962

>  <Item Name> (736)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (736)
S2527

>  <Synonyms> (736)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline 

>  <Target> (736)
Others

>  <Form> (736)
Hydrochloride 

>  <URL> (736)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (736)
3963-95-9

$$$$
Ciclopirox.cdx
csChFnd80/02221609172D

 15 16  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
    4.8455    2.0976    0.0000 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    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
    7.2662    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  2  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (737)
878

>  <Formula> (737)
C12H17NO2

>  <MolWeight> (737)
207.26888

>  <Item Name> (737)
Ciclopirox (Penlac)

>  <Catalog Number> (737)
S2528

>  <Synonyms> (737)
Batrafen, Loprox, Mycoster, Stieprox, HOE 296b 

>  <Target> (737)
Others

>  <Form> (737)
Free Base

>  <URL> (737)
http://www.selleckchem.com/products/Ciclopirox-Penlac.html

>  <CAS Number> (737)
29342-05-0

$$$$
Dopamine hydrochloride.cdx
csChFnd80/02221609172D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.8622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (738)
879

>  <Formula> (738)
C8H12ClNO2

>  <MolWeight> (738)
189.63938

>  <Item Name> (738)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (738)
S2529

>  <Synonyms> (738)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (738)
Dopamine Receptor

>  <Form> (738)
Hydrochloride 

>  <URL> (738)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (738)
62-31-7

$$$$
Asaraldehyde.cdx
csChFnd80/02221609172D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (739)
881

>  <Formula> (739)
C10H12O4

>  <MolWeight> (739)
196.19988

>  <Item Name> (739)
Asaraldehyde (Asaronaldehyde)

>  <Catalog Number> (739)
S2531

>  <Synonyms> (739)
Asaronaldehyde, Asarylaldehyde, NSC 89299 

>  <Target> (739)
COX

>  <Form> (739)
Free Base

>  <URL> (739)
http://www.selleckchem.com/products/Asaraldehyde-Asaronaldehyde.html

>  <CAS Number> (739)
4460-86-0 

$$$$
L-Ascorbyl 6-palmitate.cdx
csChFnd80/02221609172D

 30 30  0  0  0  0  0  0  0  0999 V2000
    2.4680    0.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    1.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1705    3.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    3.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9427    4.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    4.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    1.3923    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1528    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    1.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5776    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7901    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0025    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2149    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4274    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6398    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8522    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0647    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2771    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4895    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7020    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9144    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1268    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3393    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5517    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7641    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5776    3.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0824    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9682    0.4679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 12 28  2  0  0  0  0
  9 29  1  6  0  0  0
  2 30  1  6  0  0  0
M  END
>  <Mol_ID> (740)
882

>  <Formula> (740)
C22H38O7

>  <MolWeight> (740)
414.53292

>  <Item Name> (740)
L-Ascorbyl 6-palmitate

>  <Catalog Number> (740)
S2532

>  <Synonyms> (740)
Ascorbic palmitate, Ascorbyl monopalmitate, Ascorbyl palmitate, E 304, Grindox 562, L-Ascorbyl 6-pal 

>  <Target> (740)
Others

>  <Form> (740)
Free Base

>  <URL> (740)
http://www.selleckchem.com/products/L-Ascorbyl-6-palmitate.html

>  <CAS Number> (740)
137-66-6

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/02221609172D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4790    4.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7496    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4784    2.6542    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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  1  0  0  0
  9 21  1  1  0  0  0
  8 22  1  6  0  0  0
  9 23  1  6  0  0  0
M  END
>  <Mol_ID> (741)
883

>  <Formula> (741)
C17H22ClNO3

>  <MolWeight> (741)
323.81448

>  <Item Name> (741)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (741)
S2533

>  <Synonyms> (741)
DU 21220; Miolene; NSC 291565

>  <Target> (741)
Adrenergic Receptor

>  <Form> (741)
Hydrochloride

>  <URL> (741)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (741)
23239-51-2

$$$$
Isoconazole nitrate.cdx
csChFnd80/02221609172D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8350    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    6.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    8.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    9.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653   10.6111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959   10.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.2325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1078    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8054    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8054    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  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 14  1  0  0  0  0
 11 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 11  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (742)
884

>  <Formula> (742)
C18H15Cl4N3O4

>  <MolWeight> (742)
479.1414

>  <Item Name> (742)
Isoconazole nitrate (Travogen)

>  <Catalog Number> (742)
S2534

>  <Synonyms> (742)
Adestan G 100, Fazol, Gyno-Travogen, R 15454, Travogyn 

>  <Target> (742)
Others

>  <Form> (742)
Nitrate 

>  <URL> (742)
http://www.selleckchem.com/products/Isoconazole-nitrate-Travogen.html

>  <CAS Number> (742)
24168-96-5

$$$$
Econazole nitrate.cdx
csChFnd80/02221609172D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7489    3.6750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.4465    4.8832    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.4465    2.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3537    3.6750    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 10 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 20  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (743)
885

>  <Formula> (743)
C18H16Cl3N3O4

>  <MolWeight> (743)
444.69634

>  <Item Name> (743)
Econazole nitrate (Spectazole)

>  <Catalog Number> (743)
S2535

>  <Synonyms> (743)
Ecostatin, Epi-Pevaryl, Gyno-Pevaryl, Gynoryl, Ifenec, Micogin, NSC 243115, Palavale, Pevaryl 

>  <Target> (743)
Others

>  <Form> (743)
Nitrate

>  <URL> (743)
http://www.selleckchem.com/products/Econazole-nitrate-Spectazole.html

>  <CAS Number> (743)
24169-02-6

$$$$
Miconazole.cdx
csChFnd80/02221609172D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6879    0.0000 C   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    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.4854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    5.5903    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5879    0.0000 N   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
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6208    4.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9902    3.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    5.1169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7534    6.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 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 12  1  0  0  0  0
 14 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 14  1  0  0  0  0
 15 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
>  <Mol_ID> (744)
886

>  <Formula> (744)
C18H14Cl4N2O

>  <MolWeight> (744)
416.12856

>  <Item Name> (744)
Miconazole (Monistat)

>  <Catalog Number> (744)
S2536

>  <Synonyms> (744)
Daktarin IV, MJR 1762, Monistat IV, NSC 170986, R 18134, Zimybase 

>  <Target> (744)
Others

>  <Form> (744)
Free Base

>  <URL> (744)
http://www.selleckchem.com/products/Miconazole-Monistat.html

>  <CAS Number> (744)
22916-47-8

$$$$
Secnidazole.cdx
csChFnd80/02221609172D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4680    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705    5.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    5.6668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    3.8980    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9765    4.8348    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2272    2.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0432    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    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
  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
  8 10  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (745)
887

>  <Formula> (745)
C7H11N3O3

>  <MolWeight> (745)
185.18054

>  <Item Name> (745)
Secnidazole (Flagentyl)

>  <Catalog Number> (745)
S2537

>  <Synonyms> (745)
PM 185184, RP 14539, Sindose, Secnil

>  <Target> (745)
Others

>  <Form> (745)
Free Base

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

>  <CAS Number> (745)
3366-95-8

$$$$
untitled.cdx
csChFnd80/02221609172D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.2951    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4246    6.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2122    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1718    5.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6991    6.7035    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
  8 13  2  0  0  0  0
  2 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
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 17 20  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 23  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (746)
888

>  <Formula> (746)
C19H18ClN3O5S

>  <MolWeight> (746)
435.88132

>  <Item Name> (746)
Rivaroxaban (Xarelto)

>  <Catalog Number> (746)
S3002

>  <Synonyms> (746)
N/A 

>  <Target> (746)
Factor Xa

>  <Form> (746)
Free Base

>  <URL> (746)
http://www.selleckchem.com/products/Rivaroxaban.html

>  <CAS Number> (746)
366789-02-8

$$$$
fty720.cdx
csChFnd80/02221609172D

 23 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8712    3.0198    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (747)
889

>  <Formula> (747)
C19H34ClNO2

>  <MolWeight> (747)
343.93176

>  <Item Name> (747)
Fingolimod (FTY720)

>  <Catalog Number> (747)
S5002

>  <Synonyms> (747)
Gilenia 

>  <Target> (747)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (747)
Hydrochloride

>  <URL> (747)
http://www.selleckchem.com/products/FTY720.html

$$$$
P.cdx
csChFnd80/02221609172D

 57 60  0  0  0  0  0  0  0  0999 V2000
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    2.4249    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
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  1  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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    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2046    3.5415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 36 31  1  6  0  0  0
 32 37  1  1  0  0  0
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 16 44  1  1  0  0  0
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 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
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 49 50  1  0  0  0  0
 38 51  1  1  0  0  0
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M  END
>  <Mol_ID> (748)
890

>  <Formula> (748)
C43H68ClNO11

>  <MolWeight> (748)
810.45312

>  <Item Name> (748)
Pimecrolimus

>  <Catalog Number> (748)
S5004

>  <Synonyms> (748)
Elidel, SDZ-ASM-981

>  <Target> (748)
Others

>  <Form> (748)
Free Base

>  <URL> (748)
http://www.selleckchem.com/products/Pimecrolimus.html

>  <CAS Number> (748)
137071-32-0

$$$$
Nxy-059.cdx
csChFnd80/02221609172D

 23 21  0  0  0  0  0  0  0  0999 V2000
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  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
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 10 15  1  0  0  0  0
  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  2  0  0  0  0
M  END
>  <Mol_ID> (749)
892

>  <Formula> (749)
C11H13NNa2O7S2

>  <MolWeight> (749)
381.33296

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Disufenton sodium

>  <Target> (749)
Others

>  <Form> (749)
Free Base

>  <URL> (749)
http://www.selleckchem.com/products/NXY-059.html

>  <CAS Number> (749)
168021-79-2

$$$$
untitled.cdx
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893

>  <Formula> (750)
C15H9FN2O3

>  <MolWeight> (750)
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>  <Item Name> (750)
PTC124 (Ataluren)

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S6003

>  <Synonyms> (750)
N/A 

>  <Target> (750)
Others

>  <Form> (750)
Free Base

>  <URL> (750)
http://www.selleckchem.com/products/PTC124.html

>  <CAS Number> (750)
775304-57-9

$$$$
untitled.cdx
csChFnd80/02221609172D

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894

>  <Formula> (751)
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VX-702

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S6005

>  <Synonyms> (751)
N/A

>  <Target> (751)
p38 MAPK 

>  <Form> (751)
Free Base

>  <URL> (751)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (751)
745833-23-2

$$$$
CP-690550 citrate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (752)
896

>  <Formula> (752)
C22H28N6O8

>  <MolWeight> (752)
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>  <Item Name> (752)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (752)
S5001

>  <Synonyms> (752)
N/A 

>  <Target> (752)
JAK

>  <Form> (752)
Citrate

>  <URL> (752)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (752)
540737-29-9

$$$$
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598.08314

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Toremifene Citrate (Fareston, Acapodene)

>  <Catalog Number> (753)
S1776

>  <Synonyms> (753)
Fareston, Acapodene

>  <Target> (753)
Others

>  <Form> (753)
Citrate 

>  <URL> (753)
www.selleckchem.com/products/Toremifene-Citrate(Fareston).html

>  <CAS Number> (753)
89778-27-8

$$$$
CAL-1011.cdx
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898

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C22H18FN7O

>  <MolWeight> (754)
415.4230232

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CAL-101 (GS-1101)

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S2226

>  <Synonyms> (754)
CAL101

>  <Target> (754)
PI3K 

>  <Form> (754)
Free Base

>  <URL> (754)
http://www.selleckchem.com/products/CAL-101.html

>  <CAS Number> (754)
870281-82-6

$$$$
BI 6727.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (755)
899

>  <Formula> (755)
C34H50N8O3

>  <MolWeight> (755)
618.8126

>  <Item Name> (755)
BI6727 (Volasertib)

>  <Catalog Number> (755)
S2235

>  <Synonyms> (755)
N/A 

>  <Target> (755)
PLK 

>  <Form> (755)
Free Base

>  <URL> (755)
http://www.selleckchem.com/products/BI6727-Volasertib.html

>  <CAS Number> (755)
755038-65-4

$$$$
Esomeprazole sodium.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (756)
900

>  <Formula> (756)
C17H18N3NaO3S

>  <MolWeight> (756)
367.39789

>  <Item Name> (756)
Esomeprazole sodium (Nexium)

>  <Catalog Number> (756)
S2233

>  <Synonyms> (756)
N/A 

>  <Target> (756)
ATPase

>  <Form> (756)
Free Base

>  <URL> (756)
http://www.selleckchem.com/products/Esomeprazole-sodium-Nexium-I.V..html

>  <CAS Number> (756)
161796-78-7

$$$$
Ketanserin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (757)
901

>  <Formula> (757)
C22H22FN3O3

>  <MolWeight> (757)
395.4267832

>  <Item Name> (757)
Ketanserin (Vulketan Gel)

>  <Catalog Number> (757)
S2232

>  <Synonyms> (757)
R 41468, Vulketan Gel

>  <Target> (757)
5-HT Receptor

>  <Form> (757)
Free Base

>  <URL> (757)
http://www.selleckchem.com/products/Ketanserin-Vulketan-Gel.html

>  <CAS Number> (757)
74050-98-9

$$$$
PIK-294.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (758)
902

>  <Formula> (758)
C28H23N7O2

>  <MolWeight> (758)
489.52792

>  <Item Name> (758)
PIK-294

>  <Catalog Number> (758)
S2227

>  <Synonyms> (758)
N/A 

>  <Target> (758)
PI3K 

>  <Form> (758)
Free Base

>  <URL> (758)
http://www.selleckchem.com/products/PIK-294.html

>  <CAS Number> (758)
900185-02-6

$$$$
TAME.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (759)
903

>  <Formula> (759)
C14H22N4O4S

>  <MolWeight> (759)
342.41388

>  <Item Name> (759)
TAME

>  <Catalog Number> (759)
S2225 

>  <Synonyms> (759)
N/A

>  <Target> (759)
APC

>  <Form> (759)
Free Base

>  <URL> (759)
http://www.selleckchem.com/products/TAME.html

>  <CAS Number> (759)
901-47-3

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (760)
904

>  <Formula> (760)
C20H16ClN5O3

>  <MolWeight> (760)
409.82574

>  <Item Name> (760)
Telatinib (BAY 57-9352)

>  <Catalog Number> (760)
S2231

>  <Synonyms> (760)
N/A 

>  <Target> (760)
VEGFR, PDGFR, c-Kit

>  <Form> (760)
Free Base

>  <URL> (760)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

>  <CAS Number> (760)
332012-40-5

$$$$
Neohesperidin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (761)
905

>  <Formula> (761)
C28H34O15

>  <MolWeight> (761)
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>  <Item Name> (761)
Neohesperidin

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S2332

>  <Synonyms> (761)
N/A

>  <Target> (761)
Others

>  <Form> (761)
Free Base

>  <URL> (761)
http://www.selleckchem.com/products/Neohesperidin.html

>  <CAS Number> (761)
13241-33-3 

$$$$
Acetanilide.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (762)
910

>  <Formula> (762)
C8H9NO

>  <MolWeight> (762)
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>  <Item Name> (762)
Acetanilide (Antifebrin)

>  <Catalog Number> (762)
S2538

>  <Synonyms> (762)
N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (762)
Others

>  <Form> (762)
Free Base

>  <URL> (762)
http://www.selleckchem.com/products/Acetanilide-Antifebrin.html

>  <CAS Number> (762)
103-84-4

$$$$
Phenformin hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (763)
911

>  <Formula> (763)
C10H16ClN5

>  <MolWeight> (763)
241.72054

>  <Item Name> (763)
Phenformin hydrochloride 

>  <Catalog Number> (763)
S2542

>  <Synonyms> (763)
N/A

>  <Target> (763)
AMPK

>  <Form> (763)
Hydrochloride 

>  <URL> (763)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (763)
834-28-6

$$$$
erythromycin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (764)
912

>  <Formula> (764)
C37H67NO13

>  <MolWeight> (764)
733.92678

>  <Item Name> (764)
Erythromycin

>  <Catalog Number> (764)
s1635

>  <Synonyms> (764)
E-Mycin

>  <Target> (764)
Others

>  <Form> (764)
Free Base

>  <URL> (764)
http://www.selleckchem.com/products/Erythromycin(E-Mycin).ht

>  <CAS Number> (764)
114-07-8

$$$$
AZD5438.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (765)
914

>  <Formula> (765)
C18H21N5O2S

>  <MolWeight> (765)
371.45664

>  <Item Name> (765)
AZD5438

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S2621

>  <Synonyms> (765)
N/A 

>  <Target> (765)
CDK

>  <Form> (765)
Free Base

>  <URL> (765)
http://www.selleckchem.com/products/AZD5438.html

>  <CAS Number> (765)
602306-29-6 

$$$$
CK-1827452.cdx
csChFnd80/02221609172D

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CK-1827452, CK1827452 

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ATPase

>  <Form> (766)
Free Base

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

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873697-71-3

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C26H41N3O5

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Proteasome

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Free Base

>  <URL> (767)
http://www.selleckchem.com/products/MG132.html

>  <CAS Number> (767)
133407-82-6 

$$$$
OSI-027.cdx
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C21H22N6O3

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S2624

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>  <Target> (768)
mTOR

>  <Form> (768)
Free Base

>  <URL> (768)
http://www.selleckchem.com/products/OSI027.html

>  <CAS Number> (768)
936890-98-1

$$$$
PP121.cdx
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DNA-PK, mTOR, PDGF

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1092788-83-4

$$$$
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    4.0117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2241    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6117   10.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483   11.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6553   11.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578   10.4164    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
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  1  0  0  0
  5 11  1  6  0  0  0
  9 12  1  6  0  0  0
 12 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
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 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 16 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 16  1  0  0  0  0
  6 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  6  1  0  0  0  0
M  END
>  <Mol_ID> (770)
919

>  <Formula> (770)
C25H30ClNO3

>  <MolWeight> (770)
427.9636

>  <Item Name> (770)
Trospium chloride (Sanctura)

>  <Catalog Number> (770)
S2549

>  <Synonyms> (770)
Sanctura

>  <Target> (770)
AChR

>  <Form> (770)
Chloride

>  <URL> (770)
http://www.selleckchem.com/products/Trospium-chloride-Sanctura.html

>  <CAS Number> (770)
10405-02-4

$$$$
Tolterodine tartrate.cdx
csChFnd80/02221609172D

 34 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0748    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6242    5.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0291    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7291    6.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0291    3.1873    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1291    4.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6291    3.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 10 20  2  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 10  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  6  0  0  0
 29 31  1  0  0  0  0
 29 32  1  6  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (771)
920

>  <Formula> (771)
C26H37NO7

>  <MolWeight> (771)
475.57448

>  <Item Name> (771)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (771)
S2550

>  <Synonyms> (771)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (771)
AChR

>  <Form> (771)
Tartrate 

>  <URL> (771)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (771)
124937-52-6

$$$$
WP1130.cdx
csChFnd80/02221609172D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4965    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    3.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    2.7977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    4.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6914    3.4965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9018    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6914    4.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1122    4.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9018    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143    0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3267    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3267    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143    3.4977    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
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 15 13  1  1  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  2  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 16  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (772)
921

>  <Formula> (772)
C19H18BrN3O

>  <MolWeight> (772)
384.26972

>  <Item Name> (772)
WP1130

>  <Catalog Number> (772)
S2243

>  <Synonyms> (772)
N/A

>  <Target> (772)
DUB, Bcr-Abl

>  <Form> (772)
Free Base

>  <URL> (772)
http://www.selleckchem.com/products/WP1130.html

>  <CAS Number> (772)
856243-80-6

$$$$
Clomifene citrate.cdx
csChFnd80/02221609172D

 42 43  0  0  0  0  0  0  0  0999 V2000
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    4.8497    5.5086    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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 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
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 10 21  1  0  0  0  0
 18 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  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  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 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  2  0  0  0  0
 33 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 33 42  1  0  0  0  0
M  END
>  <Mol_ID> (773)
922

>  <Formula> (773)
C32H36ClNO8

>  <MolWeight> (773)
598.08314

>  <Item Name> (773)
Clomifene citrate (Serophene)

>  <Catalog Number> (773)
S2561

>  <Synonyms> (773)
Clomid, Serophene, Milophene

>  <Target> (773)
Estrogen/progestogen Receptor

>  <Form> (773)
Citrate

>  <URL> (773)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (773)
50-41-9

$$$$
Cloxacillin sodium.cdx
csChFnd80/02221609172D

 32 33  0  0  0  0  0  0  0  0999 V2000
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    5.9743    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    3.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7058    3.5340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5287    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058    5.7993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5536    5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1326    5.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1326    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    7.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   10.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368   10.2749    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9878    2.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1369    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034    1.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5015    1.9171    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.0469   10.3832    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.3743    6.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5910    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  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  1  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 16  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 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
  2 24  2  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  5 27  1  6  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  4 31  1  6  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (774)
923

>  <Formula> (774)
C19H19ClN3NaO6S

>  <MolWeight> (774)
475.87843

>  <Item Name> (774)
Cloxacillin sodium

>  <Catalog Number> (774)
S2564

>  <Synonyms> (774)
Cloxapen, Cloxacap, Orbenin

>  <Target> (774)
Others

>  <Form> (774)
Sodium Salt

>  <URL> (774)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (774)
7081-44-9

$$$$
Niacin(acid).cdx
csChFnd80/02221609172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    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
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    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  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (775)
924

>  <Formula> (775)
C6H5NO2

>  <MolWeight> (775)
123.1094

>  <Item Name> (775)
Niacin (Nicotinic acid)

>  <Catalog Number> (775)
S1744 

>  <Synonyms> (775)
Vitamin B3, Niacinamide, Nicotinic acid

>  <Target> (775)
Others

>  <Form> (775)
Free Base

>  <URL> (775)
http://www.selleckchem.com/products/Niacin(Nicotinic-acid).html

>  <CAS Number> (775)
59-67-6

$$$$
Cortisone acetate.cdx
csChFnd80/02221609172D

 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  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  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
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312    5.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6958    5.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6294    4.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1270    6.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    4.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  5 27  1  1  0  0  0
  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
 17 32  1  6  0  0  0
M  END
>  <Mol_ID> (776)
925

>  <Formula> (776)
C23H30O6

>  <MolWeight> (776)
402.4807

>  <Item Name> (776)
Cortisone acetate (Cortone)

>  <Catalog Number> (776)
S2559

>  <Synonyms> (776)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (776)
Others

>  <Form> (776)
Free Base

>  <URL> (776)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (776)
50-04-4

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/02221609172D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4472    1.4972    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
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (777)
927

>  <Formula> (777)
C11H18ClNO3

>  <MolWeight> (777)
247.71852

>  <Item Name> (777)
Isoprenaline hydrochloride

>  <Catalog Number> (777)
S2566

>  <Synonyms> (777)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (777)
Adrenergic Receptor

>  <Form> (777)
Hydrochloride

>  <URL> (777)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

>  <CAS Number> (777)
51-30-9

$$$$
Rosiglitazone.cdx
csChFnd80/02221609172D

 25 27  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.6697    2.8453    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0678    2.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5695    4.0790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4815    4.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5545    6.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8276    1.6019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 23 24  2  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (778)
928

>  <Formula> (778)
C18H19N3O3S

>  <MolWeight> (778)
357.42676

>  <Item Name> (778)
Rosiglitazone (Avandia)

>  <Catalog Number> (778)
S2556

>  <Synonyms> (778)
Avandia, BRL-49653

>  <Target> (778)
PPAR

>  <Form> (778)
Free Base

>  <URL> (778)
http://www.selleckchem.com/products/Rosiglitazone-Avandia.html

>  <CAS Number> (778)
122320-73-4

$$$$
BKM-120.cdx
csChFnd80/02221609172D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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PI3K

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944396-07-0

$$$$
CX-4945.cdx
csChFnd80/02221609172D

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N/A 

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PKC

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Free Base

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http://www.selleckchem.com/products/cx-4945-silmitasertib.html

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1009820-21-6

$$$$
GSK256066.cdx
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S2620

>  <Synonyms> (781)
GSK-256066

>  <Target> (781)
PDE

>  <Form> (781)
Free Base

>  <URL> (781)
http://www.selleckchem.com/products/gsk256066.html

>  <CAS Number> (781)
801312-28-7

$$$$
GW3965 hydrochloride.cdx
csChFnd80/02221609172D

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GW-3965

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Liver X Receptor

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hydrochloride

>  <URL> (782)
http://www.selleckchem.com/products/gw3965.html

>  <CAS Number> (782)
405911-17-3

$$$$
LY2157299.cdx
csChFnd80/02221609172D

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603139-19-1

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AM1241

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Cannabinoid Receptor

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Free Base

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http://www.selleckchem.com/products/AM-1241.html

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444912-48-5

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IPD 1151T

>  <Target> (810)
Others

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Tosylate

>  <URL> (810)
http://www.selleckchem.com/products/suplatast-tosilate.html

>  <CAS Number> (810)
94055-76-2

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N/A

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GSK-3

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Free Base

>  <URL> (811)
http://www.selleckchem.com/products/TWS119.html

>  <CAS Number> (811)
601514-19-6

$$$$
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>  <Target> (812)
VEGFR

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>  <URL> (812)
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811803-05-1

$$$$
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>  <Synonyms> (816)
BN52020

>  <Target> (816)
GABA Receptor

>  <Form> (816)
Free Base

>  <URL> (816)
http://www.selleckchem.com/products/ginkgolide-a.html

>  <CAS Number> (816)
15291-75-5

$$$$
Curcumin.cdx
csChFnd80/02221609172D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (817)
977

>  <Formula> (817)
C21H20O6

>  <MolWeight> (817)
368.3799

>  <Item Name> (817)
Curcumin

>  <Catalog Number> (817)
S1848

>  <Synonyms> (817)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (817)
Others

>  <Form> (817)
Free Base

>  <URL> (817)
http://www.selleckchem.com/products/Curcumin.html

>  <CAS Number> (817)
458-37-7

$$$$
Ciproxifan.cdx
csChFnd80/02221609172D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (818)
978

>  <Formula> (818)
C20H22N2O6

>  <MolWeight> (818)
386.39848

>  <Item Name> (818)
Ciproxifan

>  <Catalog Number> (818)
S2813

>  <Synonyms> (818)
N/A 

>  <Target> (818)
Histamine Receptor 

>  <Form> (818)
Maleate

>  <URL> (818)
http://www.selleckchem.com/products/ciproxifan.html

>  <CAS Number> (818)
184025-19-2

$$$$
LY2603618.cdx
csChFnd80/02221609172D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (819)
979

>  <Formula> (819)
C18H22BrN5O3

>  <MolWeight> (819)
436.30298

>  <Item Name> (819)
LY2603618 (IC-83)

>  <Catalog Number> (819)
S2626

>  <Synonyms> (819)
N/A 

>  <Target> (819)
Chk

>  <Form> (819)
Free Base

>  <URL> (819)
http://www.selleckchem.com/products/LY2603618-IC-83.html

>  <CAS Number> (819)
911222-45-2

$$$$
Prednisolone acetate.cdx
csChFnd80/02221609172D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (820)
981

>  <Formula> (820)
C23H30O6

>  <MolWeight> (820)
402.4807

>  <Item Name> (820)
Prednisolone acetate (Omnipred)

>  <Catalog Number> (820)
S2570

>  <Synonyms> (820)
Omnipred

>  <Target> (820)
Others

>  <Form> (820)
Free Base

>  <URL> (820)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

>  <CAS Number> (820)
52-21-1

$$$$
Dimethyl Fumarate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (821)
982

>  <Formula> (821)
C6H8O4

>  <MolWeight> (821)
144.12532

>  <Item Name> (821)
Dimethyl Fumarate

>  <Catalog Number> (821)
S2586 

>  <Synonyms> (821)
N/A

>  <Target> (821)
Others

>  <Form> (821)
Fumarate

>  <URL> (821)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

>  <CAS Number> (821)
624-49-7

$$$$
Clinofbrate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (822)
983

>  <Formula> (822)
C28H36O6

>  <MolWeight> (822)
468.58184

>  <Item Name> (822)
Clinofibrate

>  <Catalog Number> (822)
S2664

>  <Synonyms> (822)
Lipoclin

>  <Target> (822)
RAAS

>  <Form> (822)
Free Base

>  <URL> (822)
http://www.selleckchem.com/products/clinofibrate.html

>  <CAS Number> (822)
30299-08-2

$$$$
GSK1120212.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (823)
984

>  <Formula> (823)
C26H23FIN5O4

>  <MolWeight> (823)
615.3947932

>  <Item Name> (823)
GSK1120212 (Trametinib)

>  <Catalog Number> (823)
S2673

>  <Synonyms> (823)
GSK212 

>  <Target> (823)
MEK 

>  <Form> (823)
Free Base

>  <URL> (823)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

>  <CAS Number> (823)
871700-17-3

$$$$
ICG001.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (824)
985

>  <Formula> (824)
C33H32N4O4

>  <MolWeight> (824)
548.63158

>  <Item Name> (824)
ICG-001

>  <Catalog Number> (824)
S2662 

>  <Synonyms> (824)
N/A

>  <Target> (824)
Wnt/beta-catenin

>  <Form> (824)
Free Base

>  <URL> (824)
http://www.selleckchem.com/products/icg-001.html

>  <CAS Number> (824)
780757-88-2

$$$$
PF3845.cdx
csChFnd80/02221609172D

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FAAH

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1196109-52-0

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HSP

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Free Base

>  <URL> (826)
http://www.selleckchem.com/products/pf-04929113.html

>  <CAS Number> (826)
908115-27-5

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ADL5859 HCl

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S1139

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N/A 

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Opioid Receptor

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Hydrochloride

>  <URL> (827)
http://www.selleckchem.com/products/ADL-5859.html

>  <CAS Number> (827)
850173-95-4

$$$$
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N/A

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5-HT Receptor

>  <Form> (828)
Dihydrochloride

>  <URL> (828)
http://www.selleckchem.com/products/bmy-7378.html

>  <CAS Number> (828)
21102-95-4

$$$$
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>  <Mol_ID> (829)
990

>  <Formula> (829)
C13H14Cl2O3

>  <MolWeight> (829)
289.15446

>  <Item Name> (829)
Ciprofibrate

>  <Catalog Number> (829)
S2665

>  <Synonyms> (829)
N/A

>  <Target> (829)
PPAR

>  <Form> (829)
Free Base

>  <URL> (829)
http://www.selleckchem.com/products/ciprofibrate.html

>  <CAS Number> (829)
52214-84-3

$$$$
PHA-665752.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (830)
991

>  <Formula> (830)
C32H34Cl2N4O4S

>  <MolWeight> (830)
641.60776

>  <Item Name> (830)
PHA-665752

>  <Catalog Number> (830)
S1070 

>  <Synonyms> (830)
N/A 

>  <Target> (830)
c-Met

>  <Form> (830)
Free Base

>  <URL> (830)
http://www.selleckchem.com/products/PHA-665752.html

>  <CAS Number> (830)
477575-56-7

$$$$
Amoxicillin sodium.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (831)
992

>  <Formula> (831)
C16H18N3NaO5S

>  <MolWeight> (831)
387.38599

>  <Item Name> (831)
Amoxicillin sodium (Amox)

>  <Catalog Number> (831)
S2565

>  <Synonyms> (831)
Amoxycillin 

>  <Target> (831)
Others

>  <Form> (831)
Sodium Salt

>  <URL> (831)
http://www.selleckchem.com/products/amoxicillin-(amox).html

>  <CAS Number> (831)
34642-77-8

$$$$
Geldanamycin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (832)
994

>  <Formula> (832)
C29H40N2O9

>  <MolWeight> (832)
560.6359

>  <Item Name> (832)
Geldanamycin

>  <Catalog Number> (832)
S2713

>  <Synonyms> (832)
N/A

>  <Target> (832)
HSP

>  <Form> (832)
Free Base

>  <URL> (832)
http://www.selleckchem.com/products/geldanamycin.html

>  <CAS Number> (832)
30562-34-6

$$$$
A769662.cdx
csChFnd80/02221609172D

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N/A

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JAK 

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Free Base

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http://www.selleckchem.com/products/tg-101348.html

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936091-26-8

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>  <Target> (842)
Kinesin

>  <Form> (842)
Free Base

>  <URL> (842)
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1124329-14-1

$$$$
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PI3K, mTOR

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Free Base

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http://www.selleckchem.com/products/ch5132799.html

>  <CAS Number> (843)
1007207-67-1

$$$$
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mTOR, PI3K

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http://www.selleckchem.com/products/GDC-0980-RG7422.html

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1032754-93-0

$$$$
Nepicastat hydrochloride.cdx
csChFnd80/02221609172D

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   10.1621    3.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  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
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 13  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (845)
1009

>  <Formula> (845)
C14H16ClF2N3S

>  <MolWeight> (845)
331.8117464

>  <Item Name> (845)
Nepicastat hydrochloride

>  <Catalog Number> (845)
S2695

>  <Synonyms> (845)
SYN117

>  <Target> (845)
Hydroxylase

>  <Form> (845)
Hydrochloride

>  <URL> (845)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

>  <CAS Number> (845)
170151-24-3

$$$$
Brompheniramine maleate.cdx
csChFnd80/02221609172D

 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
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    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  8  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 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> (846)
1011

>  <Formula> (846)
C20H23BrN2O4

>  <MolWeight> (846)
435.31162

>  <Item Name> (846)
Brompheniramine

>  <Catalog Number> (846)
S2585

>  <Synonyms> (846)
N/A

>  <Target> (846)
Histamine Receptor

>  <Form> (846)
Maleate

>  <URL> (846)
http://www.selleckchem.com/products/brompheniramine.html

>  <CAS Number> (846)
980-71-2

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/02221609172D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    5.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8817    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0900    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2982    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5064    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1311    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0900    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1311    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7 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
  5 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
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 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 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (847)
1012

>  <Formula> (847)
C24H26N2O4

>  <MolWeight> (847)
406.47424

>  <Item Name> (847)
Carvedilol

>  <Catalog Number> (847)
S1831

>  <Synonyms> (847)
Coreg, Dilatrend

>  <Target> (847)
Adrenergic Receptor

>  <Form> (847)
Free Base

>  <URL> (847)
http://www.selleckchem.com/products/carvedilol.html

>  <CAS Number> (847)
72956-09-3

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/02221609172D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1347    3.0188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  1  0  0  0
  8 13  1  6  0  0  0
M  END
>  <Mol_ID> (848)
1014

>  <Formula> (848)
C9H14ClNO2

>  <MolWeight> (848)
203.66596

>  <Item Name> (848)
Phenylephrine hydrochloride

>  <Catalog Number> (848)
S2569

>  <Synonyms> (848)
N/A

>  <Target> (848)
Adrenergic Receptor

>  <Form> (848)
Hydrochloride

>  <URL> (848)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (848)
61-76-7

$$$$
Medroxyprogesterone acetate.cdx
csChFnd80/02221609172D

 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
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    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
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    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0019    3.6113    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
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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
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5 22  1  1  0  0  0
  9 23  1  1  0  0  0
 12 24  1  1  0  0  0
 10 25  1  6  0  0  0
  7 26  1  6  0  0  0
 11 27  1  6  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (849)
1015

>  <Formula> (849)
C24H34O4

>  <MolWeight> (849)
386.52436

>  <Item Name> (849)
Medroxyprogesterone acetate

>  <Catalog Number> (849)
S2567

>  <Synonyms> (849)
Medroxyprogesterone 17-acetate, MPA 

>  <Target> (849)
Estrogen/progestogen Receptor

>  <Form> (849)
Free Base

>  <URL> (849)
http://www.selleckchem.com/products/Medroxyprogesterone-acetate.html

>  <CAS Number> (849)
71-58-9

$$$$

csChFnd80/02221609172D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.1306    3.5252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    4.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    3.2884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    4.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    5.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    6.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    4.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5703    0.0000    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  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
  2 10  2  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 14  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 17  1  0  0  0  0
 12 13  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (850)
1018

>  <Formula> (850)
C16H25ClN2O

>  <MolWeight> (850)
296.8355

>  <Item Name> (850)
Ropinirole HCl

>  <Catalog Number> (850)
S3189

>  <Synonyms> (850)
N/A 

>  <Target> (850)
Others

>  <Form> (850)
HCl

>  <URL> (850)
http://www.selleckchem.com/products/ropinirole-hydrochloride.html

>  <CAS Number> (850)
91374-20-8

$$$$
(+,-)-Octopamine hydrochloride.cdx
csChFnd80/02221609172D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.3703    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.3703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2017    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (851)
1019

>  <Formula> (851)
C8H12ClNO2

>  <MolWeight> (851)
189.63938

>  <Item Name> (851)
(+,-)-Octopamine HCl

>  <Catalog Number> (851)
S3188

>  <Synonyms> (851)
N/A 

>  <Target> (851)
Others

>  <Form> (851)
HCl

>  <URL> (851)
http://www.selleckchem.com/products/octopamine-hcl.html

>  <CAS Number> (851)
770-05-8

$$$$
NU-7441(KU-57788).cdx
csChFnd80/02221609172D

 30 35  0  0  0  0  0  0  0  0999 V2000
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6949    2.8025    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9093    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9093    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3342    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3342    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  6 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 18  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
 25 26  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (852)
1020

>  <Formula> (852)
C25H19NO3S

>  <MolWeight> (852)
413.48826

>  <Item Name> (852)
NU7441(KU-57788)

>  <Catalog Number> (852)
S2638

>  <Synonyms> (852)
N/A 

>  <Target> (852)
DNA-PK, PI3K

>  <Form> (852)
Free Base

>  <URL> (852)
http://www.selleckchem.com/products/nu7441.html

>  <CAS Number> (852)
503468-95-9 

$$$$
SCH 900776.cdx
csChFnd80/02221609172D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.9324    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9324    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655    4.1976    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8538    8.3645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4614    8.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8920    7.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5274    6.9419    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  6  1  1  0  0  0  0
  7  3  1  6  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
  5 13  1  0  0  0  0
  4 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17  1  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (853)
1021

>  <Formula> (853)
C15H18BrN7

>  <MolWeight> (853)
376.25432

>  <Item Name> (853)
MK-8776 (SCH 900776)

>  <Catalog Number> (853)
S2735

>  <Synonyms> (853)
N/A

>  <Target> (853)
CHK

>  <Form> (853)
Free Base

>  <URL> (853)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (853)
891494-63-6

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/02221609172D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.3455    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 14 20  1  6  0  0  0
 15 21  1  1  0  0  0
 17 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (854)
1022

>  <Formula> (854)
C21H21Cl2NO5

>  <MolWeight> (854)
438.30114

>  <Item Name> (854)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (854)
S2679

>  <Synonyms> (854)
N/A

>  <Target> (854)
CDK

>  <Form> (854)
Hydrochloride

>  <URL> (854)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (854)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/02221609172D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8951   10.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951   10.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951   12.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951   13.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951   13.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   12.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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p38 MAPK

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Free Base

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http://www.selleckchem.com/products/ph-797804.html

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586379-66-0

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EGFR

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1110813-31-4

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GSK-3

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264218-23-7

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Free Base

>  <URL> (859)
http://www.selleckchem.com/products/linagliptin-bi-1356.html

>  <CAS Number> (859)
668270-12-0

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>  <Synonyms> (860)
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>  <Target> (860)
CDK

>  <Form> (860)
Free Base

>  <URL> (860)
http://www.selleckchem.com/products/dinaciclib-sch727965.html

>  <CAS Number> (860)
779353-01-4

$$$$
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Aurora Kinase

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Free Base

>  <URL> (861)
http://www.selleckchem.com/products/mk-5108-vx-689.html

>  <CAS Number> (861)
1010085-13-8

$$$$
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PDGFR

>  <Form> (862)
Free Base

>  <URL> (862)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

>  <CAS Number> (862)
670220-88-9

$$$$
Erdosteine.cdx
csChFnd80/02221609172D

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>  <Target> (863)
Others

>  <Form> (863)
Free Base

>  <URL> (863)
http://www.selleckchem.com/products/erdosteine.html

>  <CAS Number> (863)
84611-23-4 

$$$$
Fenoprofen calcium.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (864)
1032

>  <Formula> (864)
C30H26CaO6

>  <MolWeight> (864)
522.60184

>  <Item Name> (864)
Fenoprofen calcium

>  <Catalog Number> (864)
S1823 

>  <Synonyms> (864)
Nalfon

>  <Target> (864)
Others

>  <Form> (864)
Free Base

>  <URL> (864)
http://www.selleckchem.com/products/fenoprofen-calcium.html

>  <CAS Number> (864)
34597-40-5 

$$$$
BENICAR (olmesartan medoxomil).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (865)
1033

>  <Formula> (865)
C29H30N6O6

>  <MolWeight> (865)
558.5851

>  <Item Name> (865)
Olmesartan medoxomil (Benicar)

>  <Catalog Number> (865)
S1604

>  <Synonyms> (865)
Olmetec 

>  <Target> (865)
RAAS

>  <Form> (865)
Free Base

>  <URL> (865)
http://www.selleckchem.com/products/olmesartan-medoxomil-Benicar.html

>  <CAS Number> (865)
144689-63-4

$$$$
PAC1.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (866)
1034

>  <Formula> (866)
C23H28N4O2

>  <MolWeight> (866)
392.49402

>  <Item Name> (866)
PAC-1

>  <Catalog Number> (866)
S2738

>  <Synonyms> (866)
Procaspase activating compound 1

>  <Target> (866)
Caspase

>  <Form> (866)
Free Base

>  <URL> (866)
http://www.selleckchem.com/products/pac-1.html

>  <CAS Number> (866)
315183-21-2

$$$$
Pramipexole.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (867)
1035

>  <Formula> (867)
C10H17N3S

>  <MolWeight> (867)
211.32708

>  <Item Name> (867)
Pramipexole (Mirapex)

>  <Catalog Number> (867)
S2460

>  <Synonyms> (867)
Mirapexin, Sifrol

>  <Target> (867)
Dopamine Receptor

>  <Form> (867)
Free Base

>  <URL> (867)
http://www.selleckchem.com/products/Pramipexole-Mirapex.html

>  <CAS Number> (867)
104632-26-0

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/02221609172D

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1036

>  <Formula> (868)
C20H22ClN3O2

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371.86058

>  <Item Name> (868)
Tubastatin A hydrochloride

>  <Catalog Number> (868)
S2627 

>  <Synonyms> (868)
N/A

>  <Target> (868)
HDAC

>  <Form> (868)
Hydrochloride

>  <URL> (868)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

>  <CAS Number> (868)
1310693-92-5

$$$$
AG-1478.cdx
csChFnd80/02221609172D

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M  END
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1037

>  <Formula> (869)
C16H14ClN3O2

>  <MolWeight> (869)
315.75426

>  <Item Name> (869)
AG-1478 (Tyrphostin AG-1478)

>  <Catalog Number> (869)
S2728

>  <Synonyms> (869)
Tyrphostin AG-1478

>  <Target> (869)
EGFR

>  <Form> (869)
Free Base

>  <URL> (869)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

>  <CAS Number> (869)
153436-53-4

$$$$
PF-04691502.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (870)
1038

>  <Formula> (870)
C22H27N5O4

>  <MolWeight> (870)
425.48088

>  <Item Name> (870)
PF-04691502

>  <Catalog Number> (870)
S2743

>  <Synonyms> (870)
N/A

>  <Target> (870)
mTOR, PI3K, Akt

>  <Form> (870)
Free Base

>  <URL> (870)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (870)
1013101-36-4 

$$$$
Adenine hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (871)
1040

>  <Formula> (871)
C5H6ClN5

>  <MolWeight> (871)
171.58764

>  <Item Name> (871)
Adenine hydrochloride

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S1983

>  <Synonyms> (871)
N/A

>  <Target> (871)
DNA/RNA Synthesis

>  <Form> (871)
Hydrochloride

>  <URL> (871)
http://www.selleckchem.com/products/adenine-hydrochloride.html

>  <CAS Number> (871)
2922-28-3 

$$$$
Benidipine hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (872)
1043

>  <Formula> (872)
C28H32ClN3O6

>  <MolWeight> (872)
542.02318

>  <Item Name> (872)
Benidipine hydrochloride

>  <Catalog Number> (872)
S2017

>  <Synonyms> (872)
N/A

>  <Target> (872)
calcium channel

>  <Form> (872)
Hydrochloride

>  <URL> (872)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (872)
91599-74-5

$$$$
Clorsulon.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (873)
1044

>  <Formula> (873)
C8H8Cl3N3O4S2

>  <MolWeight> (873)
380.65582

>  <Item Name> (873)
Clorsulon

>  <Catalog Number> (873)
S2613 

>  <Synonyms> (873)
N/A

>  <Target> (873)
Others

>  <Form> (873)
Free Base

>  <URL> (873)
http://www.selleckchem.com/products/clorsulon.html

>  <CAS Number> (873)
60200-06-8

$$$$
RS-127445.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (874)
1045

>  <Formula> (874)
C17H16FN3

>  <MolWeight> (874)
281.3274432

>  <Item Name> (874)
RS-127445

>  <Catalog Number> (874)
S2698

>  <Synonyms> (874)
N/A

>  <Target> (874)
5-HT Receptor

>  <Form> (874)
Free Base

>  <URL> (874)
http://www.selleckchem.com/products/rs-127445.html

>  <CAS Number> (874)
199864-87-3

$$$$
Fluticasone propionate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (875)
1046

>  <Formula> (875)
C25H31F3O5S

>  <MolWeight> (875)
500.5708496

>  <Item Name> (875)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (875)
S1992

>  <Synonyms> (875)
N/A 

>  <Target> (875)
Others

>  <Form> (875)
Propionate 

>  <URL> (875)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (875)
80474-14-2

$$$$
Formoterol fumarate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (876)
1047

>  <Formula> (876)
C42H52N4O12

>  <MolWeight> (876)
804.88188

>  <Item Name> (876)
Formoterol hemifumarate

>  <Catalog Number> (876)
S2020

>  <Synonyms> (876)
N/A

>  <Target> (876)
Adrenergic Receptor

>  <Form> (876)
Fumarate

>  <URL> (876)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (876)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/02221609172D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2570    3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (877)
1048

>  <Formula> (877)
C23H23NO5S

>  <MolWeight> (877)
425.49742

>  <Item Name> (877)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (877)
S2024

>  <Synonyms> (877)
N/A 

>  <Target> (877)
Histamine Receptor

>  <Form> (877)
Fumarate 

>  <URL> (877)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (877)
34580-14-8

$$$$
Lacidipine.cdx
csChFnd80/02221609172D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (878)
1049

>  <Formula> (878)
C26H33NO6

>  <MolWeight> (878)
455.54332

>  <Item Name> (878)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (878)
S1994

>  <Synonyms> (878)
Lacipil, Motens

>  <Target> (878)
Calcium Channel 

>  <Form> (878)
Free Base

>  <URL> (878)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (878)
103890-78-4

$$$$
MIRTAZAPINE (mirtazapine).cdx
csChFnd80/02221609172D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (879)
1051

>  <Formula> (879)
C17H19N3

>  <MolWeight> (879)
265.35286

>  <Item Name> (879)
Mirtazapine (Remeron, Avanza)

>  <Catalog Number> (879)
S2016

>  <Synonyms> (879)
N/A 

>  <Target> (879)
Others

>  <Form> (879)
Free Base

>  <URL> (879)
http://www.selleckchem.com/products/mirtazapine-remeron-avanza.html

>  <CAS Number> (879)
85650-52-8 

$$$$
Mometasone furoate.cdx
csChFnd80/02221609172D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
M  END
>  <Mol_ID> (880)
1052

>  <Formula> (880)
C27H30Cl2O6

>  <MolWeight> (880)
521.4295

>  <Item Name> (880)
Mometasone furoate

>  <Catalog Number> (880)
S1987

>  <Synonyms> (880)
N/A

>  <Target> (880)
Others

>  <Form> (880)
Furoate

>  <URL> (880)
http://www.selleckchem.com/products/mometasone-furoate.html

>  <CAS Number> (880)
83919-23-7

$$$$
Pidotimod.cdx
csChFnd80/02221609172D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.5487    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3119    2.2528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6030    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6130    4.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553    3.9846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4617    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  6  1  6  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 12  9  1  6  0  0  0
  3  9  1  0  0  0  0
M  END
>  <Mol_ID> (881)
1055

>  <Formula> (881)
C9H12N2O4S

>  <MolWeight> (881)
244.26758

>  <Item Name> (881)
Pidotimod

>  <Catalog Number> (881)
S3106

>  <Synonyms> (881)
N/A 

>  <Target> (881)
Others

>  <Form> (881)
Free Base

>  <URL> (881)
http://www.selleckchem.com/products/pidotimod.html

>  <CAS Number> (881)
121808-62-6

$$$$
Pyridoxine hydrochloride.cdx
csChFnd80/02221609172D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.6461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275    0.0000    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
  2  7  1  0  0  0  0
  9 10  1  0  0  0  0
  3  9  1  0  0  0  0
  5 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
>  <Mol_ID> (882)
1056

>  <Formula> (882)
C8H12ClNO3

>  <MolWeight> (882)
205.63878

>  <Item Name> (882)
Pyridoxine hydrochloride

>  <Catalog Number> (882)
S3113

>  <Synonyms> (882)
N/A 

>  <Target> (882)
Others

>  <Form> (882)
Hydrochloride

>  <URL> (882)
http://www.selleckchem.com/products/pyridoxine-hydrochloride.html

>  <CAS Number> (882)
58-56-0

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/02221609172D

 20 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    3.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    3.5098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7758    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  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
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 19  2  0  0  0  0
M  END
>  <Mol_ID> (883)
1057

>  <Formula> (883)
C15H25ClN2O2

>  <MolWeight> (883)
300.8242

>  <Item Name> (883)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (883)
S2573 

>  <Synonyms> (883)
N/A 

>  <Target> (883)
Calcium Channel

>  <Form> (883)
Hydrochloride 

>  <URL> (883)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (883)
136-47-0

$$$$
Urapidil hydrochloride.cdx
csChFnd80/02221609172D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.5983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.6983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    3.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    4.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7805    0.0000    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  2  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
  6  8  2  0  0  0  0
  2  9  2  0  0  0  0
  1 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
 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
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 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
M  END
>  <Mol_ID> (884)
1060

>  <Formula> (884)
C20H30ClN5O3

>  <MolWeight> (884)
423.9369

>  <Item Name> (884)
Urapidil hydrochloride

>  <Catalog Number> (884)
S2025

>  <Synonyms> (884)
N/A

>  <Target> (884)
5-HT Receptor

>  <Form> (884)
Hydrochloride

>  <URL> (884)
http://www.selleckchem.com/products/urapidil-hydrochloride.html

>  <CAS Number> (884)
64887-14-5

$$$$
Albendazole oxide.cdx
csChFnd80/02221609172D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8329    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.8182    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5097    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9049    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6049    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  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  2  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  5  1  0  0  0  0
  1 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
 10 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (885)
1061

>  <Formula> (885)
C12H15N3O3S

>  <MolWeight> (885)
281.3308

>  <Item Name> (885)
Albendazole Oxide (Ricobendazole)

>  <Catalog Number> (885)
S1836

>  <Synonyms> (885)
N/A 

>  <Target> (885)
Others

>  <Form> (885)
Free Base

>  <URL> (885)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

>  <CAS Number> (885)
54029-12-8

$$$$
Alibendol.cdx
csChFnd80/02221609172D

 18 18  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 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    1.3951    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
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  4 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
M  END
>  <Mol_ID> (886)
1062

>  <Formula> (886)
C13H17NO4

>  <MolWeight> (886)
251.27838

>  <Item Name> (886)
Alibendol

>  <Catalog Number> (886)
S1928

>  <Synonyms> (886)
N/A

>  <Target> (886)
Others

>  <Form> (886)
Free Base

>  <URL> (886)
http://www.selleckchem.com/products/alibendol.html

>  <CAS Number> (886)
26750-81-2

$$$$
Aspartame.cdx
csChFnd80/02221609172D

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4955    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0024    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 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 13  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (887)
1063

>  <Formula> (887)
C14H18N2O5

>  <MolWeight> (887)
294.30312

>  <Item Name> (887)
Aspartame

>  <Catalog Number> (887)
S2036

>  <Synonyms> (887)
Nutrasweet

>  <Target> (887)
Others

>  <Form> (887)
Free Base

>  <URL> (887)
http://www.selleckchem.com/products/aspartame.html

>  <CAS Number> (887)
22839-47-0

$$$$
Bifonazole.cdx
csChFnd80/02221609172D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7657    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9331    8.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    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
  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  1  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  9  1  0  0  0  0
  8 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  8  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  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 19  1  0  0  0  0
M  END
>  <Mol_ID> (888)
1064

>  <Formula> (888)
C22H18N2

>  <MolWeight> (888)
310.39172

>  <Item Name> (888)
Bifonazole

>  <Catalog Number> (888)
S1854

>  <Synonyms> (888)
N/A

>  <Form> (888)
Free Base

>  <URL> (888)
http://www.selleckchem.com/products/bifonazole.html

>  <CAS Number> (888)
60628-96-8

$$$$
Butoconazole nitrate.cdx
csChFnd80/02221609172D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0707    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    7.7707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.2085    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    3.2873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    5.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.8659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3740    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0716    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0716    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788    1.2082    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  6 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 15 20  2  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 15  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (889)
1065

>  <Formula> (889)
C19H18Cl3N3O3S

>  <MolWeight> (889)
474.78852

>  <Item Name> (889)
Butoconazole nitrate

>  <Catalog Number> (889)
S1833

>  <Synonyms> (889)
N/A

>  <Target> (889)
Others

>  <Form> (889)
Nitrate

>  <URL> (889)
http://www.selleckchem.com/products/butoconazole-nitrate.html

>  <CAS Number> (889)
64872-77-1

$$$$
Epalrestat.cdx
csChFnd80/02221609172D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    1.5656    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    2.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    3.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268    4.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3410    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8735    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5711    3.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9662    3.6952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8735    4.9034    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (890)
1067

>  <Formula> (890)
C15H13NO3S2

>  <MolWeight> (890)
319.39862

>  <Item Name> (890)
Epalrestat

>  <Catalog Number> (890)
S2035 

>  <Synonyms> (890)
N/A

>  <Target> (890)
Others

>  <Form> (890)
Free Base

>  <URL> (890)
http://www.selleckchem.com/products/epalrestat.html

>  <CAS Number> (890)
82159-09-9

$$$$
Ganciclovir.cdx
csChFnd80/02221609172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    1.6169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.8822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6939    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2628    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1963    3.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9921    1.7835    0.0000 O   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  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
  6 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (891)
1069

>  <Formula> (891)
C9H13N5O4

>  <MolWeight> (891)
255.23062

>  <Item Name> (891)
Ganciclovir

>  <Catalog Number> (891)
S1878

>  <Synonyms> (891)
Cytovene

>  <Target> (891)
Others

>  <Form> (891)
Free Base

>  <URL> (891)
http://www.selleckchem.com/products/ganciclovir.html

>  <CAS Number> (891)
82410-32-0

$$$$
Phentolamine mesilate.cdx
csChFnd80/02221609172D

 26 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 N   0  0  0  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
    3.6373    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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M  END
>  <Mol_ID> (892)
1071

>  <Formula> (892)
C18H23N3O4S

>  <MolWeight> (892)
377.45792

>  <Item Name> (892)
Phentolamine Mesylate 

>  <Catalog Number> (892)
S2038

>  <Synonyms> (892)
Regitine

>  <Target> (892)
adrenergic receptor

>  <Form> (892)
Mesylate 

>  <URL> (892)
http://www.selleckchem.com/products/phentolamine-mesilate.html

>  <CAS Number> (892)
65-28-1

$$$$
Sulphadimethoxine.cdx
csChFnd80/02221609172D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0538    1.3927    0.0000 N   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
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    1.2082    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (893)
1073

>  <Formula> (893)
C12H14N4O4S

>  <MolWeight> (893)
310.32896

>  <Item Name> (893)
Sulphadimethoxine

>  <Catalog Number> (893)
S1962

>  <Synonyms> (893)
Di-Methox, Albon

>  <Target> (893)
Others

>  <Form> (893)
Free Base

>  <URL> (893)
http://www.selleckchem.com/products/sulphadimethoxine.html

>  <CAS Number> (893)
122-11-2

$$$$
Uridine.cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (894)
1075

>  <Formula> (894)
C9H12N2O6

>  <MolWeight> (894)
244.20138

>  <Item Name> (894)
Uridine

>  <Catalog Number> (894)
S2029

>  <Synonyms> (894)
N/A

>  <Target> (894)
DNA/RNA Synthesis

>  <Form> (894)
Free Base

>  <URL> (894)
http://www.selleckchem.com/products/uridine.html

>  <CAS Number> (894)
58-96-8

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/02221609172D

 27 26  0  0  0  0  0  0  0  0999 V2000
    7.0393    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2517    0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6724    2.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (895)
1076

>  <Formula> (895)
C18H28N2O7

>  <MolWeight> (895)
384.42412

>  <Item Name> (895)
Enalaprilat dihydrate

>  <Catalog Number> (895)
S1657

>  <Synonyms> (895)
N/A

>  <Target> (895)
RAAS

>  <Form> (895)
Dihydrate

>  <URL> (895)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (895)
84680-54-6 

$$$$
Cefoperazone acid.cdx
csChFnd80/02221609172D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (896)
1077

>  <Formula> (896)
C25H27N9O8S2

>  <MolWeight> (896)
645.66738

>  <Item Name> (896)
Cefoperazone (Cefobid)

>  <Catalog Number> (896)
S1611

>  <Synonyms> (896)
N/A 

>  <Target> (896)
Others

>  <Form> (896)
Free Base

>  <URL> (896)
http://www.selleckchem.com/products/cefoperazone-cefobid.html

>  <CAS Number> (896)
62893-19-0

$$$$
Acemetacin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (897)
1078

>  <Formula> (897)
C21H18ClNO6

>  <MolWeight> (897)
415.82372

>  <Item Name> (897)
Acemetacin (Emflex)

>  <Catalog Number> (897)
S2602

>  <Synonyms> (897)
N/A 

>  <Target> (897)
Others

>  <Form> (897)
Free Base

>  <URL> (897)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (897)
53164-05-9

$$$$
NATACYN (natamycin).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (898)
1079

>  <Formula> (898)
C33H47NO13

>  <MolWeight> (898)
665.72518

>  <Item Name> (898)
Natamycin

>  <Catalog Number> (898)
S1517

>  <Synonyms> (898)
Pimaricin

>  <Target> (898)
Others

>  <Form> (898)
Free Base

>  <URL> (898)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

>  <CAS Number> (898)
7681-93-8

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/02221609172D

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 27 22  1  0  0  0  0
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 44 24  1  0  0  0  0
 32 45  2  0  0  0  0
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  1 46  1  6  0  0  0
 29 47  1  6  0  0  0
 26 48  1  6  0  0  0
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 20 50  1  1  0  0  0
 22 51  1  1  0  0  0
 25 52  1  1  0  0  0
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 43 55  1  1  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
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 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 56  1  0  0  0  0
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 58 63  1  1  0  0  0
 60 64  1  1  0  0  0
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 24 67  1  1  0  0  0
M  END
>  <Mol_ID> (899)
1080

>  <Formula> (899)
C47H75NO17

>  <MolWeight> (899)
926.0949

>  <Item Name> (899)
Nystatin (Fungicidin)

>  <Catalog Number> (899)
S1934

>  <Synonyms> (899)
N/A

>  <Target> (899)
Others

>  <Form> (899)
Free Base

>  <URL> (899)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (899)
1400-61-9

$$$$
Buflomedil hydrochloride.cdx
csChFnd80/02221609172D

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  4 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
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M  END
>  <Mol_ID> (900)
1081

>  <Formula> (900)
C17H26ClNO4

>  <MolWeight> (900)
343.84564

>  <Item Name> (900)
Buflomedil HCl

>  <Catalog Number> (900)
S2607

>  <Synonyms> (900)
N/A

>  <Target> (900)
Others

>  <Form> (900)
Hydrochloride

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

>  <CAS Number> (900)
35543-24-9

$$$$
Clindamycin palmitate hydrochloride.cdx
csChFnd80/02221609172D

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 27 28  1  0  0  0  0
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 30 32  1  0  0  0  0
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M  END
>  <Mol_ID> (901)
1082

>  <Formula> (901)
C34H64Cl2N2O6S

>  <MolWeight> (901)
699.85276

>  <Item Name> (901)
Clindamycin palmitate HCl

>  <Catalog Number> (901)
S2596

>  <Synonyms> (901)
N/A

>  <Target> (901)
Others

>  <Form> (901)
Hydrochloride

>  <URL> (901)
http://www.selleckchem.com/products/clindamycin-palmitate-hcl.html

>  <CAS Number> (901)
25507-04-4 

$$$$
Clobetasol propionate.cdx
csChFnd80/02221609172D

 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
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  1  2  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
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 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  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
 16 24  1  1  0  0  0
 14 25  1  6  0  0  0
 17 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
 10 31  1  6  0  0  0
 11 32  1  6  0  0  0
 16 33  1  6  0  0  0
 23 34  1  0  0  0  0
 34 35  1  0  0  0  0
 23 36  2  0  0  0  0
M  END
>  <Mol_ID> (902)
1083

>  <Formula> (902)
C25H32ClFO5

>  <MolWeight> (902)
466.9699832

>  <Item Name> (902)
Clobetasol propionate

>  <Catalog Number> (902)
S2584

>  <Synonyms> (902)
N/A

>  <Target> (902)
Others

>  <Form> (902)
Propionate

>  <URL> (902)
http://www.selleckchem.com/products/clobetasol-propionate.html

>  <CAS Number> (902)
25122-46-7

$$$$
Lonidamine.cdx
csChFnd80/02221609172D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (903)
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>  <Formula> (903)
C15H10Cl2N2O2

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>  <Item Name> (903)
Lonidamine

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S2610

>  <Synonyms> (903)
N/A

>  <Target> (903)
Others

>  <Form> (903)
Free Base

>  <URL> (903)
http://www.selleckchem.com/products/lonidamine.html

>  <CAS Number> (903)
50264-69-2

$$$$
L-Thyroxine.cdx
csChFnd80/02221609172D

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1087

>  <Formula> (904)
C15H11I4NO4

>  <MolWeight> (904)
776.87002

>  <Item Name> (904)
L-Thyroxine

>  <Catalog Number> (904)
S2599

>  <Synonyms> (904)
N/A

>  <Target> (904)
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>  <Form> (904)
Free Base

>  <URL> (904)
http://www.selleckchem.com/products/l-thyroxine.html

>  <CAS Number> (904)
51-48-9

$$$$
Miglitol.cdx
csChFnd80/02221609172D

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1088

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C8H17NO5

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Miglitol (Glyset)

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S2589

>  <Synonyms> (905)
N/A 

>  <Target> (905)
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Free Base

>  <URL> (905)
http://www.selleckchem.com/products/miglitol-glyset.html

>  <CAS Number> (905)
72432-03-2

$$$$
Phenacetin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (906)
1090

>  <Formula> (906)
C10H13NO2

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179.21572

>  <Item Name> (906)
Phenacetin

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S2577

>  <Synonyms> (906)
N/A

>  <Target> (906)
COX

>  <Form> (906)
Free Base

>  <URL> (906)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (906)
62-44-2

$$$$
Pioglitazone.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (907)
1091

>  <Formula> (907)
C19H20N2O3S

>  <MolWeight> (907)
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>  <Item Name> (907)
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>  <Catalog Number> (907)
S2590

>  <Synonyms> (907)
N/A 

>  <Target> (907)
Others

>  <Form> (907)
Free Base

>  <URL> (907)
http://www.selleckchem.com/products/pioglitazone-actos.html

>  <CAS Number> (907)
111025-46-8

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (908)
1093

>  <Formula> (908)
C22H25ClN2O8

>  <MolWeight> (908)
480.8955

>  <Item Name> (908)
Tetracycline hydrochloride

>  <Catalog Number> (908)
S2574 

>  <Synonyms> (908)
N/A

>  <Target> (908)
Others

>  <Form> (908)
Hydrochloride

>  <URL> (908)
http://www.selleckchem.com/products/tetracycline-hydrochloride.html

>  <CAS Number> (908)
64-75-5

$$$$
Thiamphenicol.cdx
csChFnd80/02221609172D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (909)
1094

>  <Formula> (909)
C12H15Cl2NO5S

>  <MolWeight> (909)
356.2222

>  <Item Name> (909)
Thiamphenicol (Thiophenicol)

>  <Catalog Number> (909)
S2583

>  <Synonyms> (909)
N/A 

>  <Target> (909)
Others

>  <Form> (909)
Free Base

>  <URL> (909)
http://www.selleckchem.com/products/thiamphenicol-thiophenicol.html

>  <CAS Number> (909)
15318-45-3

$$$$
Tolfenamic acid.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (910)
1095

>  <Formula> (910)
C14H12ClNO2

>  <MolWeight> (910)
261.70358

>  <Item Name> (910)
Tolfenamic acid

>  <Catalog Number> (910)
S1959

>  <Synonyms> (910)
N/A

>  <Target> (910)
Others

>  <Form> (910)
Free Base

>  <URL> (910)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (910)
13710-19-5

$$$$
Tolvaptan.cdx
csChFnd80/02221609172D

 32 35  0  0  0  0  0  0  0  0999 V2000
    5.6055    2.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4510    5.7421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (911)
1096

>  <Formula> (911)
C26H25ClN2O3

>  <MolWeight> (911)
448.9413

>  <Item Name> (911)
Tolvaptan (OPC-41061)

>  <Catalog Number> (911)
S2593

>  <Synonyms> (911)
Samsca 

>  <Target> (911)
Estrogen/progestogen Receptor

>  <Form> (911)
Free Base

>  <URL> (911)
http://www.selleckchem.com/products/tolvaptan-opc-41061.html

>  <CAS Number> (911)
150683-30-0

$$$$
Zidovudine.cdx
csChFnd80/02221609172D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (912)
1097

>  <Formula> (912)
C10H13N5O4

>  <MolWeight> (912)
267.24132

>  <Item Name> (912)
Zidovudine (Retrovir)

>  <Catalog Number> (912)
S2579

>  <Synonyms> (912)
azidothymidine

>  <Target> (912)
Others

>  <Form> (912)
Free Base

>  <URL> (912)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (912)
30516-87-1

$$$$
Cephalomannine.cdx
csChFnd80/02221609172D

 61 66  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (913)
1099

>  <Formula> (913)
C45H53NO14

>  <MolWeight> (913)
831.90062

>  <Item Name> (913)
Cephalomannine

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S2408

>  <Synonyms> (913)
N/A

>  <Target> (913)
Others

>  <Form> (913)
Free Base

>  <URL> (913)
http://www.selleckchem.com/products/cephalomannine.html

>  <CAS Number> (913)
71610-00-9

$$$$
Genipin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (914)
1100

>  <Formula> (914)
C11H14O5

>  <MolWeight> (914)
226.22586

>  <Item Name> (914)
Genipin

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S2412

>  <Synonyms> (914)
N/A

>  <Target> (914)
Others

>  <Form> (914)
Free Base

>  <URL> (914)
http://www.selleckchem.com/products/genipin.html

>  <CAS Number> (914)
6902-77-8

$$$$
Gliclazide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (915)
1103

>  <Formula> (915)
C15H21N3O3S

>  <MolWeight> (915)
323.41054

>  <Item Name> (915)
Gliclazide (Diamicron)

>  <Catalog Number> (915)
S2601 

>  <Synonyms> (915)
N/A 

>  <Target> (915)
Others

>  <Form> (915)
Free Base

>  <URL> (915)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (915)
21187-98-4

$$$$
Idebenone.cdx
csChFnd80/02221609172D

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1104

>  <Formula> (916)
C19H30O5

>  <MolWeight> (916)
338.4385

>  <Item Name> (916)
Idebenone

>  <Catalog Number> (916)
S2605 

>  <Synonyms> (916)
N/A

>  <Target> (916)
Others

>  <Form> (916)
Free Base

>  <URL> (916)
http://www.selleckchem.com/products/idebenone.html

>  <CAS Number> (916)
58186-27-9

$$$$
Quinapril hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (917)
1106

>  <Formula> (917)
C25H31ClN2O5

>  <MolWeight> (917)
474.97704

>  <Item Name> (917)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (917)
S2581

>  <Synonyms> (917)
N/A 

>  <Target> (917)
RAAS

>  <Form> (917)
Hydrochloride

>  <URL> (917)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (917)
82586-55-8

$$$$
Scopine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (918)
1108

>  <Formula> (918)
C8H13NO2

>  <MolWeight> (918)
155.19432

>  <Item Name> (918)
Scopine

>  <Catalog Number> (918)
S2545

>  <Synonyms> (918)
N/A

>  <Target> (918)
Others

>  <Form> (918)
Free Base

>  <URL> (918)
http://www.selleckchem.com/products/scopine.html

>  <CAS Number> (918)
498-45-3

$$$$
Atracurium besylate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (919)
1109

>  <Formula> (919)
C65H82N2O18S2

>  <MolWeight> (919)
1243.47918

>  <Item Name> (919)
Atracurium besylate

>  <Catalog Number> (919)
S1832

>  <Synonyms> (919)
N/A

>  <Target> (919)
Others

>  <Form> (919)
Besylate

>  <URL> (919)
http://www.selleckchem.com/products/atracurium-besylate.html

>  <CAS Number> (919)
64228-81-5

$$$$
Captopril.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (920)
1110

>  <Formula> (920)
C9H15NO3S

>  <MolWeight> (920)
217.2853

>  <Item Name> (920)
Captopril (Capoten)

>  <Catalog Number> (920)
S2051

>  <Synonyms> (920)
N/A 

>  <Target> (920)
RAAS

>  <Form> (920)
Free Base

>  <URL> (920)
http://www.selleckchem.com/products/captopril-capoten.html

>  <CAS Number> (920)
62571-86-2

$$$$
Cyproheptadine hydrochloride.cdx
csChFnd80/02221609172D

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    7.5624    5.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    7.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    7.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1494    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (921)
1112

>  <Formula> (921)
C21H22ClN

>  <MolWeight> (921)
323.85908

>  <Item Name> (921)
Cyproheptadine hydrochloride (Periactin)

>  <Catalog Number> (921)
S2044

>  <Synonyms> (921)
N/A 

>  <Target> (921)
Histamine Receptor

>  <Form> (921)
Hydrochloride

>  <URL> (921)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride-periactin.html

>  <CAS Number> (921)
969-33-5 

$$$$
Cyproterone acetate.cdx
csChFnd80/02221609172D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
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    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
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    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    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    5.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4225    6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
  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
  7 18  1  0  0  0  0
  2 19  2  0  0  0  0
  1 20  1  6  0  0  0
  6 20  1  6  0  0  0
 10 21  1  6  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
  9 24  1  1  0  0  0
 12 25  1  1  0  0  0
 17 26  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 17 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (922)
1113

>  <Formula> (922)
C24H29ClO4

>  <MolWeight> (922)
416.93766

>  <Item Name> (922)
Cyproterone acetate

>  <Catalog Number> (922)
S2042

>  <Synonyms> (922)
N/A

>  <Target> (922)
Androgen Receptor/P450

>  <Form> (922)
Acetate

>  <URL> (922)
http://www.selleckchem.com/products/cyproterone-acetate.html

>  <CAS Number> (922)
427-51-0

$$$$
Cytidine.cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.3789    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5914    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5914    5.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    5.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8917    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6550    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0244    1.5656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5675    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612    0.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9073    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  1  1  0  0  0  0
  1  7  2  0  0  0  0
  5  8  1  0  0  0  0
  9  2  1  1  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  9  1  0  0  0  0
 11 14  1  1  0  0  0
 12 15  1  6  0  0  0
 13 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (923)
1114

>  <Formula> (923)
C9H13N3O5

>  <MolWeight> (923)
243.21662

>  <Item Name> (923)
Cytidine

>  <Catalog Number> (923)
S2053

>  <Synonyms> (923)
N/A

>  <Target> (923)
Others

>  <Form> (923)
Free Base

>  <URL> (923)
http://www.selleckchem.com/products/cytidine.html

>  <CAS Number> (923)
65-46-3

$$$$
Doxifluridine.cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    3.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    4.6637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3571    5.8761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877    5.5850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4446    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509    6.5186    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  2  0  0  0  0
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  5  6  1  0  0  0  0
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  3  9  1  0  0  0  0
 10  5  1  1  0  0  0
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 14 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (924)
1115

>  <Formula> (924)
C9H11FN2O5

>  <MolWeight> (924)
246.1924432

>  <Item Name> (924)
Doxifluridine

>  <Catalog Number> (924)
S2045

>  <Synonyms> (924)
N/A

>  <Target> (924)
Others

>  <Form> (924)
Free Base

>  <URL> (924)
http://www.selleckchem.com/products/doxifluridine.html

>  <CAS Number> (924)
3094-09-5

$$$$
Gimeracil.cdx
csChFnd80/02221609172D

  9  9  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (925)
1117

>  <Formula> (925)
C5H4ClNO2

>  <MolWeight> (925)
145.54376

>  <Item Name> (925)
Gimeracil

>  <Catalog Number> (925)
S2055

>  <Synonyms> (925)
N/A

>  <Target> (925)
Dehydrogenase

>  <Form> (925)
Free Base

>  <URL> (925)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (925)
103766-25-2

$$$$
Lornoxicam.cdx
csChFnd80/02221609172D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    1.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    3.7451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282    2.6124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  2  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19  1  1  0  0  0  0
 15 21  1  0  0  0  0
 10 22  2  0  0  0  0
 10 23  2  0  0  0  0
M  END
>  <Mol_ID> (926)
1118

>  <Formula> (926)
C13H10ClN3O4S2

>  <MolWeight> (926)
371.8192

>  <Item Name> (926)
Lornoxicam (Xefo)

>  <Catalog Number> (926)
S2047

>  <Synonyms> (926)
N/A 

>  <Target> (926)
Others

>  <Form> (926)
Free Base

>  <URL> (926)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (926)
70374-39-9

$$$$
Memantine HCl.cdx
csChFnd80/02221609172D

 14 15  0  0  0  0  0  0  0  0999 V2000
    8.3216    0.9987    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6476    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3957    0.8513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    4.7124    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
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  5  6  1  0  0  0  0
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  7  2  1  0  0  0  0
  2  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 10  1  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (927)
1119

>  <Formula> (927)
C12H22ClN

>  <MolWeight> (927)
215.76278

>  <Item Name> (927)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (927)
S2043

>  <Synonyms> (927)
N/A 

>  <Target> (927)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (927)
Hydrochloride

>  <URL> (927)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (927)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/02221609172D

 48 47  0  0  0  0  0  0  0  0999 V2000
   23.1152    4.7707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.3318    5.4732    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
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  4  7  1  0  0  0  0
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  3  9  1  6  0  0  0
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 11 12  2  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
 15 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  1  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 34 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
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 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 42 48  1  0  0  0  0
M  END
>  <Mol_ID> (928)
1120

>  <Formula> (928)
C34H56N2O12

>  <MolWeight> (928)
684.81464

>  <Item Name> (928)
Metoprolol tartrate

>  <Catalog Number> (928)
S1856

>  <Synonyms> (928)
N/A

>  <Target> (928)
Adrenergic Receptor

>  <Form> (928)
Tartrate

>  <URL> (928)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (928)
392-17-7

$$$$
Nimesulide.cdx
csChFnd80/02221609172D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   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
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100    8.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  3 14  1  0  0  0  0
  9 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  9  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (929)
1121

>  <Formula> (929)
C13H12N2O5S

>  <MolWeight> (929)
308.30978

>  <Item Name> (929)
Nimesulide

>  <Catalog Number> (929)
S2040

>  <Synonyms> (929)
N/A

>  <Target> (929)
Others

>  <Form> (929)
Free Base

>  <URL> (929)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (929)
51803-78-2

$$$$
Noradrenaline bitartrate.cdx
csChFnd80/02221609172D

 26 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6082    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  1  0  0  0
  9 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 16 22  1  1  0  0  0
 18 23  1  1  0  0  0
 18 24  1  6  0  0  0
 16 25  1  6  0  0  0
M  END
>  <Mol_ID> (930)
1122

>  <Formula> (930)
C12H19NO10

>  <MolWeight> (930)
337.27996

>  <Item Name> (930)
Noradrenaline bitartrate monohydrate (Levoph

>  <Catalog Number> (930)
S2615

>  <Synonyms> (930)
N/A 

>  <Target> (930)
Others

>  <Form> (930)
Monohydrate

>  <URL> (930)
http://www.selleckchem.com/products/noradrenaline-bitartrate-monohydrate-levophed.html

>  <CAS Number> (930)
108341-18-0

$$$$
Orphenadrine citrate.cdx
csChFnd80/02221609172D

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.8098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.2873    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1968    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6217    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8341    2.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (931)
1123

>  <Formula> (931)
C24H31NO8

>  <MolWeight> (931)
461.50484

>  <Item Name> (931)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (931)
S2054

>  <Synonyms> (931)
N/A 

>  <Target> (931)
AChR

>  <Form> (931)
Citrate

>  <URL> (931)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (931)
4682-36-4

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (932)
1124

>  <Formula> (932)
C22H28N2O11

>  <MolWeight> (932)
496.46452

>  <Item Name> (932)
Oxytetracycline dihydrate

>  <Catalog Number> (932)
S2052 

>  <Synonyms> (932)
N/A

>  <Target> (932)
Others

>  <Form> (932)
Dihydrate

>  <URL> (932)
http://www.selleckchem.com/products/oxytetracycline-dihydrate.html

>  <CAS Number> (932)
6153-64-6

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/02221609172D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (933)
1125

>  <Formula> (933)
C19H21ClN2O3S

>  <MolWeight> (933)
392.89964

>  <Item Name> (933)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (933)
S2046

>  <Synonyms> (933)
N/A 

>  <Target> (933)
Others

>  <Form> (933)
Hydrochloride

>  <URL> (933)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (933)
112529-15-4

$$$$
Pramiracetam.cdx
csChFnd80/02221609172D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (934)
1126

>  <Formula> (934)
C14H27N3O2

>  <MolWeight> (934)
269.38308

>  <Item Name> (934)
Pramiracetam

>  <Catalog Number> (934)
S2594

>  <Synonyms> (934)
N/A

>  <Target> (934)
Others

>  <Form> (934)
Free Base

>  <URL> (934)
http://www.selleckchem.com/products/pramiracetam.html

>  <CAS Number> (934)
68497-62-1

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/02221609172D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (935)
1128

>  <Formula> (935)
C16H13Cl3N2OS

>  <MolWeight> (935)
387.71122

>  <Item Name> (935)
Tioconazole

>  <Catalog Number> (935)
S1910

>  <Synonyms> (935)
N/A

>  <Target> (935)
Others

>  <Form> (935)
Free Base

>  <URL> (935)
http://www.selleckchem.com/products/tioconazole.html

>  <CAS Number> (935)
65899-73-2

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (936)
1129

>  <Formula> (936)
C13H21ClN6O4

>  <MolWeight> (936)
360.79664

>  <Item Name> (936)
Valaciclovir HCl

>  <Catalog Number> (936)
S1876

>  <Synonyms> (936)
N/A

>  <Target> (936)
Others

>  <Form> (936)
Hydrochloride

>  <URL> (936)
http://www.selleckchem.com/products/valaciclovir-hcl.html

>  <CAS Number> (936)
124832-27-5 

$$$$

csChFnd80/02221609172D

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M  END
>  <Mol_ID> (937)
1130

>  <Formula> (937)
C58H66O15S2

>  <MolWeight> (937)
1067.26564

>  <Item Name> (937)
TAK-875

>  <Catalog Number> (937)
S2637

>  <Synonyms> (937)
N/A

>  <Target> (937)
GPR 

>  <Form> (937)
Hydrate

>  <URL> (937)
http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (937)
1374598-80-7

$$$$
AMG 458.cdx
csChFnd80/02221609172D

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M  END
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1133

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N/A

>  <Target> (938)
c-Met

>  <Form> (938)
Free Base

>  <URL> (938)
http://www.selleckchem.com/products/amg458.html

>  <CAS Number> (938)
913376-83-7 

$$$$
PHA-848125.cdx
csChFnd80/02221609172D

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1136

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C25H32N8O

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460.57458

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PHA-848125

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S2751

>  <Synonyms> (939)
N/A

>  <Target> (939)
CDK

>  <Form> (939)
Free Base

>  <URL> (939)
http://www.selleckchem.com/products/pha-848125.html

>  <CAS Number> (939)
802539-81-7

$$$$
Acetylcholine chloride.cdx
csChFnd80/02221609172D

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1137

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C7H16ClNO2

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181.66044

>  <Item Name> (940)
Acetylcholine chloride

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S1805

>  <Synonyms> (940)
N/A

>  <Form> (940)
Chloride

>  <URL> (940)
http://www.selleckchem.com/products/Acetylcholine-chloride.html

>  <CAS Number> (940)
60-31-1 

$$$$
PENETREX (enoxacin).cdx
csChFnd80/02221609172D

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1138

>  <Formula> (941)
C15H17FN4O3

>  <MolWeight> (941)
320.3188832

>  <Item Name> (941)
Enoxacin (Penetrex)

>  <Catalog Number> (941)
S1756

>  <Synonyms> (941)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

>  <Target> (941)
Others

>  <Form> (941)
Free Base

>  <URL> (941)
http://www.selleckchem.com/products/Enoxacin(Penetrex).html

>  <CAS Number> (941)
74011-58-8

$$$$
CAPITAL SOLEIL 15 (avobenzone ).cdx
csChFnd80/02221609172D

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1139

>  <Formula> (942)
C20H22O3

>  <MolWeight> (942)
310.38688

>  <Item Name> (942)
Avobenzone (Parsol 1789)

>  <Catalog Number> (942)
S1904

>  <Synonyms> (942)
Eusolex 9020, Escalol 517, Parsol 1789 

>  <Target> (942)
Others

>  <Form> (942)
Free Base

>  <URL> (942)
http://www.selleckchem.com/products/Avobenzone(Parsol-1789).html

>  <CAS Number> (942)
70356-09-1

$$$$
AT13387.cdx
csChFnd80/02221609172D

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S1219

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N/A

>  <Target> (951)
PI3K 

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Free Base

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http://www.selleckchem.com/products/ym201636.html

>  <CAS Number> (951)
371942-69-7

$$$$
AG1024.cdx
csChFnd80/02221609172D

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1152

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C14H13BrN2O

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S1234

>  <Synonyms> (952)
N/A 

>  <Target> (952)
IGF-1R

>  <Form> (952)
Free Base

>  <URL> (952)
http://www.selleckchem.com/products/ag-1024-tyrphostin.html

>  <CAS Number> (952)
65678-07-1

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (953)
1153

>  <Formula> (953)
C25H30ClI2NO3

>  <MolWeight> (953)
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>  <Item Name> (953)
Amiodarone HCl

>  <Catalog Number> (953)
S1979 

>  <Synonyms> (953)
N/A

>  <Target> (953)
Potassium Channel

>  <Form> (953)
Hydrochloride

>  <URL> (953)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (953)
19774-82-4

$$$$
Pefloxacine mesylate.cdx
csChFnd80/02221609172D

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>  <Formula> (954)
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>  <MolWeight> (954)
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>  <Item Name> (954)
Pefloxacin mesylate

>  <Catalog Number> (954)
S1855 

>  <Synonyms> (954)
N/A

>  <Target> (954)
Others

>  <Form> (954)
Mesylate

>  <URL> (954)
http://www.selleckchem.com/products/pefloxacin-mesylate.html

>  <CAS Number> (954)
70458-95-6

$$$$
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HSP

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819812-04-9

$$$$
3-Methyladenine.cdx
csChFnd80/02221609172D

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S2767

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3-MA

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PI3K

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Free Base

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http://www.selleckchem.com/products/3-methyladenine.html

>  <CAS Number> (956)
5142-23-4

$$$$
ARQ-197.cdx
csChFnd80/02221609172D

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C23H19N3O2

>  <MolWeight> (957)
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>  <Item Name> (957)
ARQ 197 (Tivantinib)

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S2753 

>  <Synonyms> (957)
N/A 

>  <Target> (957)
c-Met

>  <Form> (957)
Free Base

>  <URL> (957)
http://www.selleckchem.com/products/arq-197.html

>  <CAS Number> (957)
905854-02-6

$$$$
BX-795.cdx
csChFnd80/02221609172D

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>  <URL> (958)
http://www.selleckchem.com/products/bx-795.html

>  <CAS Number> (958)
702675-74-9

$$$$
BX-912.cdx
csChFnd80/02221609172D

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>  <Synonyms> (959)
N/A

>  <Target> (959)
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>  <Form> (959)
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>  <URL> (959)
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>  <CAS Number> (959)
702674-56-4

$$$$
CEP-18770.cdx
csChFnd80/02221609172D

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c-Met, FGFR, PDGFR

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http://www.selleckchem.com/products/mk-2461.html

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917879-39-1

$$$$
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csChFnd80/02221609172D

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C14H11N3O3S

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Nocodazole

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S2775

>  <Synonyms> (973)
N/A 

>  <Target> (973)
Microtubule Associated

>  <Form> (973)
Free Base

>  <URL> (973)
http://www.selleckchem.com/products/nocodazole.html

>  <CAS Number> (973)
31430-18-9

$$$$
CPI-613.cdx
csChFnd80/02221609172D

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S2776

>  <Synonyms> (974)
N/A

>  <Target> (974)
Dehydrogenase 

>  <Form> (974)
Free Base

>  <URL> (974)
http://www.selleckchem.com/products/cpi-613.html

>  <CAS Number> (974)
95809-78-2

$$$$
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csChFnd80/02221609172D

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Cannabinoid Receptor

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666260-75-9

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csChFnd80/02221609172D

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HDAC

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251456-60-7 

$$$$
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1187

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C16H20N6O

>  <MolWeight> (982)
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Tofacitinib (CP-690550, Tasocitinib)

>  <Catalog Number> (982)
S2789

>  <Synonyms> (982)
Tasocitinib 

>  <Target> (982)
JAK

>  <Form> (982)
Free Base

>  <URL> (982)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (982)
477600-75-2

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/02221609172D

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>  <Formula> (983)
C20H24N4O4

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384.42896

>  <Item Name> (983)
Istradefylline (KW-6002)

>  <Catalog Number> (983)
S2790

>  <Synonyms> (983)
N/A

>  <Target> (983)
Others

>  <Form> (983)
Free Base

>  <URL> (983)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

>  <CAS Number> (983)
155270-99-8

$$$$
Torcetrapib.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (984)
1189

>  <Formula> (984)
C26H25F9N2O4

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600.4733288

>  <Item Name> (984)
Torcetrapib (CP-529414)

>  <Catalog Number> (984)
S2792

>  <Synonyms> (984)
N/A 

>  <Target> (984)
CETP

>  <Form> (984)
Free Base

>  <URL> (984)
http://www.selleckchem.com/products/torcetrapib-cp-529414.html

>  <CAS Number> (984)
262352-17-0

$$$$
WP1066.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (985)
1190

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C17H14BrN3O

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WP1066

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S2796

>  <Synonyms> (985)
N/A

>  <Target> (985)
JAK 

>  <Form> (985)
Free Base

>  <URL> (985)
http://www.selleckchem.com/products/wp1066.html

>  <CAS Number> (985)
857064-38-1

$$$$
Ciclopirox ethanolamine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (986)
1194

>  <Formula> (986)
C14H24N2O3

>  <MolWeight> (986)
268.35196

>  <Item Name> (986)
Ciclopirox ethanolamine

>  <Catalog Number> (986)
S3019 

>  <Synonyms> (986)
N/A

>  <Target> (986)
ATPase

>  <Form> (986)
Ethanolamine

>  <URL> (986)
http://www.selleckchem.com/products/ciclopirox-ethanolamine.html

>  <CAS Number> (986)
41621-49-2

$$$$
romidepsin(depsipeptide,FK228).cdx
csChFnd80/02221609172D

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    2.1000    4.4709    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (987)
1195

>  <Formula> (987)
C24H36N4O6S2

>  <MolWeight> (987)
540.69584

>  <Item Name> (987)
Romidepsin (FK228 ,depsipeptide)

>  <Catalog Number> (987)
S3020

>  <Synonyms> (987)
N/A

>  <Target> (987)
HDAC

>  <Form> (987)
Free Base

>  <URL> (987)
http://www.selleckchem.com/products/Romidepsin-FK228.html

>  <CAS Number> (987)
128517-07-7

$$$$
Rimonabant.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (988)
1196

>  <Formula> (988)
C22H21Cl3N4O

>  <MolWeight> (988)
463.78734

>  <Item Name> (988)
Rimonabant (SR141716)

>  <Catalog Number> (988)
S3021 

>  <Synonyms> (988)
N/A 

>  <Target> (988)
Cannabinoid Receptor 

>  <Form> (988)
Free Base

>  <URL> (988)
http://www.selleckchem.com/products/rimonabant-sr141716.html

>  <CAS Number> (988)
168273-06-1

$$$$
Cabazitaxel.cdx
csChFnd80/02221609172D

 62 67  0  0  0  0  0  0  0  0999 V2000
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183133-96-2

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329-98-6

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10083-24-6

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M  END
>  <Mol_ID> (995)
1203

>  <Formula> (995)
C17H17F2NO2

>  <MolWeight> (995)
305.3191864

>  <Item Name> (995)
VU 0357121
VU 0357121
VU 0357121

>  <Catalog Number> (995)
S2795

>  <Synonyms> (995)
N/A 

>  <Target> (995)
GluR 

>  <Form> (995)
Free Base

>  <URL> (995)
http://www.selleckchem.com/products/vu-0357121.html

>  <CAS Number> (995)
433967-28-3

$$$$
Lonafarnib.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (996)
1204

>  <Formula> (996)
C27H31Br2ClN4O2

>  <MolWeight> (996)
638.82164

>  <Item Name> (996)
Lonafarnib (SCH66336)

>  <Catalog Number> (996)
S2797

>  <Synonyms> (996)
N/A 

>  <Target> (996)
Others

>  <Form> (996)
Free Base

>  <URL> (996)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

>  <CAS Number> (996)
193275-84-2

$$$$
Aloperine.cdx
csChFnd80/02221609172D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (997)
1205

>  <Formula> (997)
C15H24N2

>  <MolWeight> (997)
232.36446

>  <Item Name> (997)
Aloperine

>  <Catalog Number> (997)
S2420 

>  <Synonyms> (997)
N/A 

>  <Target> (997)
Others

>  <Form> (997)
Free Base

>  <URL> (997)
http://www.selleckchem.com/products/aloperine.html

>  <CAS Number> (997)
56293-29-9

$$$$
Hydroxyecdysone.cdx
csChFnd80/02221609172D

 36 39  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> (998)
1206

>  <Formula> (998)
C27H44O7

>  <MolWeight> (998)
480.63406

>  <Item Name> (998)
20-Hydroxyecdysone

>  <Catalog Number> (998)
S2417 

>  <Synonyms> (998)
N/A 

>  <Target> (998)
Others

>  <Form> (998)
Free Base

>  <URL> (998)
http://www.selleckchem.com/products/20-hydroxyecdysone.html

>  <CAS Number> (998)
5289-74-7

$$$$
Synephrine hydrochloride.cdx
csChFnd80/02221609172D

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.5736    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
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M  END
>  <Mol_ID> (999)
1207

>  <Formula> (999)
C9H14ClNO2

>  <MolWeight> (999)
203.66596

>  <Item Name> (999)
Synephrine HCl

>  <Catalog Number> (999)
S2438 

>  <Synonyms> (999)
N/A 

>  <Target> (999)
Others

>  <Form> (999)
Hydrochloride

>  <URL> (999)
http://www.selleckchem.com/products/synephrine-hcl.html

>  <CAS Number> (999)
5985-28-4

$$$$
Sirtinol.cdx
csChFnd80/02221609172D

 30 33  0  0  0  0  0  0  0  0999 V2000
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130641-38-2

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Androgen Receptor, P450

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851983-85-2

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$$$$
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HIV Protease

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Sulfate

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229975-97-7

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Akt 

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1257704-57-6

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112522-64-2

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Daunorubicin HCl (Daunomycin HCl)

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N/A 

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Telomerase

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>  <URL> (1,017)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

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23541-50-6

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>  <URL> (1,018)
http://www.selleckchem.com/products/nvp-tae226.html

>  <CAS Number> (1,018)
761437-28-9

$$$$
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FAAH

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http://www.selleckchem.com/products/jnj-1661010.html

>  <CAS Number> (1,019)
681136-29-8

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>  <URL> (1,020)
http://www.selleckchem.com/products/Ml-133-hcl.html

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$$$$
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C24H27N5O2

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CP 673451

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S1536

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CP673451 

>  <Target> (1,021)
Others

>  <Form> (1,021)
Free Base

>  <URL> (1,021)
http://www.selleckchem.com/products/CP-673451.html

>  <CAS Number> (1,021)
343787-29-1

$$$$
LY2811376.cdx
csChFnd80/02221609172D

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M  END
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1233

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C15H14F2N4S

>  <MolWeight> (1,022)
320.3602664

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LY2811376

>  <Catalog Number> (1,022)
S1528

>  <Synonyms> (1,022)
LY 2811376 

>  <Target> (1,022)
5-alpha Reductase

>  <Form> (1,022)
Free Base

>  <URL> (1,022)
http://www.selleckchem.com/products/LY2811376.html

>  <CAS Number> (1,022)
1194044-20-6

$$$$
Sodium valproate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,023)
1234

>  <Formula> (1,023)
C8H15NaO2

>  <MolWeight> (1,023)
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Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (1,023)
S1168

>  <Synonyms> (1,023)
N/A 

>  <Target> (1,023)
GABA Receptor, HDAC

>  <Form> (1,023)
Free Base

>  <URL> (1,023)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (1,023)
1069-66-5

$$$$
Thalidomide.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,024)
1236

>  <Formula> (1,024)
C13H10N2O4

>  <MolWeight> (1,024)
258.2295

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Thalidomide

>  <Catalog Number> (1,024)
S1193

>  <Synonyms> (1,024)
Thalomid 

>  <Target> (1,024)
Others

>  <Form> (1,024)
Free Base

>  <URL> (1,024)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (1,024)
50-35-1

$$$$
Finasteride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,025)
1237

>  <Formula> (1,025)
C23H36N2O2

>  <MolWeight> (1,025)
372.54414

>  <Item Name> (1,025)
Finasteride

>  <Catalog Number> (1,025)
S1197

>  <Synonyms> (1,025)
N/A 

>  <Target> (1,025)
5-alpha Reductase

>  <Form> (1,025)
Free Base

>  <URL> (1,025)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (1,025)
98319-26-7

$$$$
Dacarbazine.cdx
csChFnd80/02221609172D

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1239

>  <Formula> (1,026)
C6H10N6O

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Dacarbazine (DTIC-Dome)

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S1221

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DTIC 

>  <Target> (1,026)
DNA/RNA Synthesis

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Free Base

>  <URL> (1,026)
http://www.selleckchem.com/products/Dacarbazine.html

>  <CAS Number> (1,026)
4342-03-4

$$$$
Entecavir hydrate.cdx
csChFnd80/02221609172D

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    5.3957    1.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7272    1.7595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7272    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    3.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1304    1.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4994    5.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  4  8  1  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
  8 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 17  2  0  0  0  0
 14 18  1  1  0  0  0
 15 19  1  6  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,027)
1240

>  <Formula> (1,027)
C12H17N5O4

>  <MolWeight> (1,027)
295.29448

>  <Item Name> (1,027)
Entecavir hydrate

>  <Catalog Number> (1,027)
S1252

>  <Synonyms> (1,027)
Baraclude 

>  <Target> (1,027)
Others

>  <Form> (1,027)
Hydrate

>  <URL> (1,027)
http://www.selleckchem.com/products/Entecavir.html

>  <CAS Number> (1,027)
209216-23-9

$$$$
Rufinamide.cdx
csChFnd80/02221609172D

 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
    1.2124    4.1951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 F   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    3.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    0.6462    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
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 14 10  1  0  0  0  0
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 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,028)
1242

>  <Formula> (1,028)
C10H8F2N4O

>  <MolWeight> (1,028)
238.1935264

>  <Item Name> (1,028)
Rufinamide (Banzel)

>  <Catalog Number> (1,028)
S1256

>  <Synonyms> (1,028)
Banzel 

>  <Target> (1,028)
Sodium Channel

>  <Form> (1,028)
Free Base

>  <URL> (1,028)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (1,028)
106308-44-5

$$$$
Acarbose.cdx
csChFnd80/02221609172D

 44 47  0  0  0  0  0  0  0  0999 V2000
    3.6289    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6827    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8951    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8951    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    7.6879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    9.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3158    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3158    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1033    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8909    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5240    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    9.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9827    6.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  1  8  1  6  0  0  0
  3  9  1  6  0  0  0
 10  7  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  6 16  1  1  0  0  0
  2 17  1  1  0  0  0
 18  8  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  6  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  1  0  0  0
 23 28  1  6  0  0  0
 11 29  1  1  0  0  0
 15 30  1  1  0  0  0
 30 31  1  0  0  0  0
 12 32  1  6  0  0  0
 13 33  1  6  0  0  0
 34 33  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 36 40  1  6  0  0  0
 37 41  1  1  0  0  0
 35 42  1  1  0  0  0
 39 43  1  1  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (1,029)
1243

>  <Formula> (1,029)
C25H43NO18

>  <MolWeight> (1,029)
645.60482

>  <Item Name> (1,029)
Acarbose

>  <Catalog Number> (1,029)
S1271

>  <Synonyms> (1,029)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (1,029)
Others

>  <Form> (1,029)
Free Base

>  <URL> (1,029)
http://www.selleckchem.com/products/Acarbose.html

>  <CAS Number> (1,029)
56180-94-0

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/02221609172D

 17 17  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
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,030)
1244

>  <Formula> (1,030)
C14H22N2O

>  <MolWeight> (1,030)
234.33728

>  <Item Name> (1,030)
Lidocaine (Alphacaine)

>  <Catalog Number> (1,030)
S1357

>  <Synonyms> (1,030)
Alphacaine, Xylocaine, lignocaine

>  <Target> (1,030)
Histamine Receptor

>  <Form> (1,030)
Free Base

>  <URL> (1,030)
http://www.selleckchem.com/products/Lidocaine.html

>  <CAS Number> (1,030)
137-58-6

$$$$

csChFnd80/02221609172D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.4530   10.3749    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.0931    2.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404    7.0719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7000    6.6687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    7.8811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7245    8.3328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2669    9.8265    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.9603    7.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6656    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7060    0.9368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5341    2.2115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  1  0  0  0
  4 11  1  1  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  3 14  1  1  0  0  0
  6 15  1  6  0  0  0
 10 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 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 21  1  0  0  0  0
 20 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 20  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,031)
1245

>  <Formula> (1,031)
C19H24BrNO5S2

>  <MolWeight> (1,031)
490.43156

>  <Item Name> (1,031)
Tiotropium Bromide hydrate

>  <Catalog Number> (1,031)
S2547

>  <Synonyms> (1,031)
N/A 

>  <Target> (1,031)
AChR

>  <Form> (1,031)
Hydrate

>  <URL> (1,031)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (1,031)
139404-48-1

$$$$
Tioxolone.cdx
csChFnd80/02221609172D

 11 12  0  0  0  0  0  0  0  0999 V2000
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Tioxolone

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N/A 

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Carbonic Anhydrase

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Free Base

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

>  <CAS Number> (1,032)
4991-65-5

$$$$
ADX47273.cdx
csChFnd80/02221609172D

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C20H17F2N3O2

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ADX-47273

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S2690

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N/A 

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GluR

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Free Base

>  <URL> (1,033)
http://www.selleckchem.com/products/adx-47273.html

>  <CAS Number> (1,033)
851881-60-2

$$$$
PHA.cdx
csChFnd80/02221609172D

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N/A 

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CDK

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http://www.selleckchem.com/products/pha-767491.html

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845714-00-3

$$$$
Sodium salicylate.cdx
csChFnd80/02221609172D

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C7H6NaO3

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>  <URL> (1,035)
http://www.selleckchem.com/products/sodium-salicylate.html

>  <CAS Number> (1,035)
54-21-7

$$$$
Sulfamerazine.cdx
csChFnd80/02221609172D

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C11H12N4O2S

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Sulfamerazine

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S3132

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N/A 

>  <Target> (1,036)
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Free Base

>  <URL> (1,036)
http://www.selleckchem.com/products/sulfamerazine.html

>  <CAS Number> (1,036)
127-79-7

$$$$
Sulfamethazine.cdx
csChFnd80/02221609172D

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S3133

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>  <Target> (1,037)
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Free Base

>  <URL> (1,037)
http://www.selleckchem.com/products/sulfamethazine.html

>  <CAS Number> (1,037)
57-68-1

$$$$
TPCA-1.cdx
csChFnd80/02221609172D

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M  END
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TPCA-1

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>  <Synonyms> (1,038)
N/A 

>  <Target> (1,038)
IKK

>  <Form> (1,038)
Free Base

>  <URL> (1,038)
http://www.selleckchem.com/products/tpca-1.html

>  <CAS Number> (1,038)
507475-17-4

$$$$
Trimethoprim.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,039)
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C14H18N4O3

>  <MolWeight> (1,039)
290.31772

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Trimethoprim

>  <Catalog Number> (1,039)
S3129

>  <Synonyms> (1,039)
N/A 

>  <Target> (1,039)
Others

>  <Form> (1,039)
Free Base

>  <URL> (1,039)
http://www.selleckchem.com/products/trimethoprim.html

>  <CAS Number> (1,039)
738-70-5

$$$$
Entacapone.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,040)
1257

>  <Formula> (1,040)
C14H15N3O5

>  <MolWeight> (1,040)
305.286

>  <Item Name> (1,040)
Entacapone

>  <Catalog Number> (1,040)
S3147 

>  <Synonyms> (1,040)
N/A 

>  <Target> (1,040)
Others

>  <Form> (1,040)
Free Base

>  <URL> (1,040)
http://www.selleckchem.com/products/entacapone.html

>  <CAS Number> (1,040)
130929-57-6

$$$$
Estradiol Valerate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,041)
1259

>  <Formula> (1,041)
C23H32O3

>  <MolWeight> (1,041)
356.49838

>  <Item Name> (1,041)
Estradiol valerate

>  <Catalog Number> (1,041)
S3149

>  <Synonyms> (1,041)
N/A 

>  <Target> (1,041)
Estrogen/progestogen Receptor

>  <Form> (1,041)
Free Base

>  <URL> (1,041)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (1,041)
979-32-8

$$$$
Articaine hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,042)
1260

>  <Formula> (1,042)
C13H21ClN2O3S

>  <MolWeight> (1,042)
320.83544

>  <Item Name> (1,042)
Articaine HCl

>  <Catalog Number> (1,042)
S3150

>  <Synonyms> (1,042)
N/A 

>  <Target> (1,042)
Others

>  <Form> (1,042)
HCl

>  <URL> (1,042)
http://www.selleckchem.com/products/articaine-hydrochloride.html

>  <CAS Number> (1,042)
23964-57-0

$$$$
Gliquidone.cdx
csChFnd80/02221609172D

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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (1,043)
1261

>  <Formula> (1,043)
C27H33N3O6S

>  <MolWeight> (1,043)
527.63242

>  <Item Name> (1,043)
Gliquidone

>  <Catalog Number> (1,043)
S3151

>  <Synonyms> (1,043)
Glurenorm 

>  <Target> (1,043)
Others

>  <Form> (1,043)
Free Base

>  <URL> (1,043)
http://www.selleckchem.com/products/gliquidone.html

>  <CAS Number> (1,043)
33342-05-1

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/02221609172D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,044)
1262

>  <Formula> (1,044)
C23H28ClN

>  <MolWeight> (1,044)
353.92812

>  <Item Name> (1,044)
Butenafine HCl

>  <Catalog Number> (1,044)
S3154

>  <Synonyms> (1,044)
N/A 

>  <Target> (1,044)
Others

>  <Form> (1,044)
HCl

>  <URL> (1,044)
http://www.selleckchem.com/products/butenafine-hydrochloride.html

>  <CAS Number> (1,044)
101827-46-7

$$$$
Mepivacaine hydrochloride.cdx
csChFnd80/02221609172D

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 12 18  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,045)
1263

>  <Formula> (1,045)
C15H23ClN2O

>  <MolWeight> (1,045)
282.80892

>  <Item Name> (1,045)
Mepivacaine HCl

>  <Catalog Number> (1,045)
S3155

>  <Synonyms> (1,045)
N/A 

>  <Target> (1,045)
Others

>  <Form> (1,045)
HCl

>  <URL> (1,045)
http://www.selleckchem.com/products/mepivacaine-hydrochloride.html

>  <CAS Number> (1,045)
1722-62-9

$$$$
Tylosin tartrate.cdx
csChFnd80/02221609172D

 76 78  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,046)
1264

>  <Formula> (1,046)
C50H83NO23

>  <MolWeight> (1,046)
1066.18692

>  <Item Name> (1,046)
Tylosin tartrate

>  <Catalog Number> (1,046)
S3162

>  <Synonyms> (1,046)
N/A 

>  <Target> (1,046)
Others

>  <Form> (1,046)
Tartrate

>  <URL> (1,046)
http://www.selleckchem.com/products/tylosin-tartrate.html

>  <CAS Number> (1,046)
74610-55-2

$$$$
Benztropine mesylate.cdx
csChFnd80/02221609172D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1714    5.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    4.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    3.6844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4262    7.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3246    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7246    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  7  8  1  6  0  0  0
  3  8  1  6  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11  8  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 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 12  1  0  0  0  0
 13 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 13  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,047)
1265

>  <Formula> (1,047)
C22H29NO4S

>  <MolWeight> (1,047)
403.53496

>  <Item Name> (1,047)
Benztropine mesylate

>  <Catalog Number> (1,047)
S3163

>  <Synonyms> (1,047)
N/A 

>  <Target> (1,047)
Histamine Receptor

>  <Form> (1,047)
Mesylate

>  <URL> (1,047)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (1,047)
132-17-2

$$$$
Brinzolamide.cdx
csChFnd80/02221609172D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.3834    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5958    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048    6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430    5.1368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6282    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0047    3.0431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046    1.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  8 10  1  0  0  0  0
  1 14  2  0  0  0  0
  1 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  0  0  0  0
  2 16  1  0  0  0  0
 22 23  1  0  0  0  0
 21 22  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (1,048)
1268

>  <Formula> (1,048)
C12H21N3O5S3

>  <MolWeight> (1,048)
383.50724

>  <Item Name> (1,048)
Brinzolamide

>  <Catalog Number> (1,048)
S3178

>  <Synonyms> (1,048)
Azopt 

>  <Target> (1,048)
Carbonic Anhydrase

>  <Form> (1,048)
Free Base

>  <URL> (1,048)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (1,048)
138890-62-7

$$$$
Carbenicillin disodium.cdx
csChFnd80/02221609172D

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7413    3.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.3761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2255    4.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    5.3379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    4.2975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6537    3.5975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9537    2.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938    1.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3161    1.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561    4.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    6.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7207    5.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4353    7.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4253    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5453    3.7576    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.1452    3.7576    0.0000 Na  0  3  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
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  1  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 19  1  0  0  0  0
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 18 23  2  0  0  0  0
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 24 25  2  0  0  0  0
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 17 24  1  0  0  0  0
 14 15  1  0  0  0  0
  6 14  1  6  0  0  0
  5 27  1  1  0  0  0
M  END
>  <Mol_ID> (1,049)
1269

>  <Formula> (1,049)
C17H16N2Na2O6S

>  <MolWeight> (1,049)
422.36328

>  <Item Name> (1,049)
Carbenicillin disodium

>  <Catalog Number> (1,049)
S3179

>  <Synonyms> (1,049)
N/A 

>  <Target> (1,049)
Others

>  <Form> (1,049)
Disodium

>  <URL> (1,049)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (1,049)
4800-94-6

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/02221609172D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.0549    1.8803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0549    4.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988    1.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863    2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0237    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2361    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    4.4129    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0101    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
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 12 15  1  0  0  0  0
 11 12  1  0  0  0  0
  6 10  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
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 21  1  1  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,050)
1270

>  <Formula> (1,050)
C22H27BrN2O2S

>  <MolWeight> (1,050)
463.43098

>  <Item Name> (1,050)
Eletriptan HBr

>  <Catalog Number> (1,050)
S3180

>  <Synonyms> (1,050)
N/A 

>  <Target> (1,050)
5-HT Receptor

>  <Form> (1,050)
HBr

>  <URL> (1,050)
http://www.selleckchem.com/products/eletriptan-hydrobromide.html

>  <CAS Number> (1,050)
177834-92-3

$$$$
Flumequine.cdx
csChFnd80/02221609172D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    4.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    2.8017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    2.1017    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2114    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,051)
1271

>  <Formula> (1,051)
C14H12FNO3

>  <MolWeight> (1,051)
261.2483832

>  <Item Name> (1,051)
Flumequine

>  <Catalog Number> (1,051)
S3181

>  <Synonyms> (1,051)
N/A 

>  <Target> (1,051)
Others

>  <Form> (1,051)
Free Base

>  <URL> (1,051)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (1,051)
42835-25-6

$$$$
Azlocillin sodium salt.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,052)
1273

>  <Formula> (1,052)
C20H23N5NaO6S

>  <MolWeight> (1,052)
484.48129

>  <Item Name> (1,052)
Azlocillin sodium salt

>  <Catalog Number> (1,052)
S3195

>  <Synonyms> (1,052)
N/A 

>  <Target> (1,052)
Others

>  <Form> (1,052)
Sodium Salt

>  <URL> (1,052)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (1,052)
37091-65-9

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/02221609172D

 30 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,053)
1274

>  <Formula> (1,053)
C21H26Cl2F3N3S

>  <MolWeight> (1,053)
480.4174496

>  <Item Name> (1,053)
Trifluoperazine 2HCl

>  <Catalog Number> (1,053)
S3201

>  <Synonyms> (1,053)
 N/A 

>  <Target> (1,053)
Others

>  <Form> (1,053)
2HCl

>  <URL> (1,053)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (1,053)
440-17-5

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,054)
1276

>  <Formula> (1,054)
C9H12ClNO3

>  <MolWeight> (1,054)
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>  <Item Name> (1,054)
Adrenalone HCl

>  <Catalog Number> (1,054)
S3185

>  <Synonyms> (1,054)
N/A 

>  <Target> (1,054)
Adrenergic Receptor

>  <Form> (1,054)
HCl

>  <URL> (1,054)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (1,054)
62-13-5

$$$$
Azacyclonol.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,055)
1277

>  <Formula> (1,055)
C18H21NO

>  <MolWeight> (1,055)
267.36544

>  <Item Name> (1,055)
Azacyclonol

>  <Catalog Number> (1,055)
S3196

>  <Synonyms> (1,055)
N/A 

>  <Target> (1,055)
Others

>  <Form> (1,055)
Free Base

>  <URL> (1,055)
http://www.selleckchem.com/products/azacyclonol.html

>  <CAS Number> (1,055)
115-46-8

$$$$
Reboxetine mesylate.cdx
csChFnd80/02221609172D

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PI3K

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>  <URL> (1,060)
http://www.selleckchem.com/products/azd6482.html

>  <CAS Number> (1,060)
1173900-33-8

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,061)
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C22H19ClN6O2S

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ARRY334543

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S2755

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N/A 

>  <Target> (1,061)
EGFR

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Free Base

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http://www.selleckchem.com/products/arry334543.html

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845272-21-1

$$$$
Xylazine HCl.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,062)
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C12H17ClN2S

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Xylazine HCl

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S2516

>  <Synonyms> (1,062)
N/A 

>  <Target> (1,062)
Adrenergic Receptor

>  <Form> (1,062)
Hydrochloride

>  <URL> (1,062)
http://www.selleckchem.com/products/Xylazine(Rompun).html

>  <CAS Number> (1,062)
23076-35-9

$$$$
Fexofenadine HCl.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,063)
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>  <Formula> (1,063)
C32H40ClNO4

>  <MolWeight> (1,063)
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>  <Item Name> (1,063)
Fexofenadine HCl

>  <Catalog Number> (1,063)
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>  <Synonyms> (1,063)
N/A 

>  <Target> (1,063)
Histamine Receptor

>  <Form> (1,063)
HCl

>  <URL> (1,063)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (1,063)
153439-40-8

$$$$
Amidopyrine.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,064)
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>  <Formula> (1,064)
C13H17N3O

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>  <Item Name> (1,064)
Amidopyrine

>  <Catalog Number> (1,064)
S3209

>  <Synonyms> (1,064)
N/A 

>  <Target> (1,064)
Others

>  <Form> (1,064)
Free Base

>  <URL> (1,064)
http://www.selleckchem.com/products/amidopyrine.html

>  <CAS Number> (1,064)
58-15-1

$$$$
Moclobemide.cdx
csChFnd80/02221609172D

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>  <CAS Number> (1,070)
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$$$$
Azilsartan.cdx
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Free Base

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147403-03-0

$$$$
Cinepazide maleate.cdx
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>  <Target> (1,072)
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Maleate

>  <URL> (1,072)
http://www.selleckchem.com/products/cinepazide-maleate.html

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26328-04-1

$$$$
BML-190.cdx
csChFnd80/02221609172D

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Indomethacin Morpholinylamide 

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Cannabinoid Receptor

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Free Base

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http://www.selleckchem.com/products/bml-190.html

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2854-32-2

$$$$
Semaxanib.cdx
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SB-269970 HCl.cdx
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$$$$
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$$$$
Otilonium Bromide.cdx
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C29H43BrN2O4

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>  <Item Name> (1,079)
Otilonium Bromide

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>  <Synonyms> (1,079)
N/A

>  <Target> (1,079)
AChR

>  <Form> (1,079)
Free Base

>  <URL> (1,079)
http://www.selleckchem.com/products/otilonium-bromide.html

>  <CAS Number> (1,079)
26095-59-0

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/02221609172D

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>  <Formula> (1,080)
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>  <Item Name> (1,080)
Cyclocytidine HCl

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S1973

>  <Synonyms> (1,080)
N/A 

>  <Target> (1,080)
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HCl

>  <URL> (1,080)
http://www.selleckchem.com/products/cyclocytidine-hcl.html

>  <CAS Number> (1,080)
10212-25-6

$$$$
IMD0354.cdx
csChFnd80/02221609172D

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>  <Target> (1,081)
IKK

>  <Form> (1,081)
Free Base

>  <URL> (1,081)
http://www.selleckchem.com/products/imd-0354.html

>  <CAS Number> (1,081)
978-62-1

$$$$
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csChFnd80/02221609172D

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PPAR

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>  <URL> (1,083)
http://www.selleckchem.com/products/t0070907.html

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313516-66-4

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TG 100713.cdx
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E7050

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c-Met, VEGFR

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http://www.selleckchem.com/products/golvatinib-e7050.html

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928037-13-2

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csChFnd80/02221609172D

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211555-04-3

$$$$
VUF 10166.cdx
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M  END
>  <Mol_ID> (1,088)
1317

>  <Formula> (1,088)
C13H15ClN4

>  <MolWeight> (1,088)
262.738

>  <Item Name> (1,088)
VUF 10166

>  <Catalog Number> (1,088)
S2865

>  <Synonyms> (1,088)
N/A

>  <Target> (1,088)
5-HT Receptor

>  <Form> (1,088)
Free Base

>  <URL> (1,088)
http://www.selleckchem.com/products/vuf-10166.html

>  <CAS Number> (1,088)
155584-74-0

$$$$
Alverine citrate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,089)
1318

>  <Formula> (1,089)
C26H35NO7

>  <MolWeight> (1,089)
473.5586

>  <Item Name> (1,089)
Alverine Citrate

>  <Catalog Number> (1,089)
S3054

>  <Synonyms> (1,089)
N/A

>  <Target> (1,089)
Others

>  <Form> (1,089)
Citrate

>  <URL> (1,089)
http://www.selleckchem.com/products/alverine-citrate.html

>  <CAS Number> (1,089)
5560-59-8

$$$$
Azelnidipine.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,090)
1319

>  <Formula> (1,090)
C33H34N4O6

>  <MolWeight> (1,090)
582.64626

>  <Item Name> (1,090)
Azelnidipine

>  <Catalog Number> (1,090)
S3053

>  <Synonyms> (1,090)
N/A

>  <Target> (1,090)
Calcium Channel

>  <Form> (1,090)
Free Base

>  <URL> (1,090)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (1,090)
123524-52-7

$$$$
Solifenacin succinate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,091)
1320

>  <Formula> (1,091)
C27H32N2O6

>  <MolWeight> (1,091)
480.55278

>  <Item Name> (1,091)
Solifenacin succinate

>  <Catalog Number> (1,091)
S3048

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
AChR

>  <Form> (1,091)
Succinate

>  <URL> (1,091)
http://www.selleckchem.com/products/solifenacin-succinate.html

>  <CAS Number> (1,091)
242478-38-2

$$$$
Forskolin.cdx
csChFnd80/02221609172D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 14 10  1  0  0  0  0
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  9 24  1  1  0  0  0
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 12 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,092)
1322

>  <Formula> (1,092)
C22H34O7

>  <MolWeight> (1,092)
410.50116

>  <Item Name> (1,092)
Forskolin

>  <Catalog Number> (1,092)
S2449

>  <Synonyms> (1,092)
Coleonol

>  <Target> (1,092)
cAMP

>  <Form> (1,092)
Free Base

>  <URL> (1,092)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (1,092)
66575-29-9

$$$$
Chlorhexidine Hydrochloride.cdx
csChFnd80/02221609172D

 36 35  0  0  0  0  0  0  0  0999 V2000
   15.2972    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5097    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7221    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9345    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1470    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5718    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,093)
1323

>  <Formula> (1,093)
C22H32Cl4N10

>  <MolWeight> (1,093)
578.36848

>  <Item Name> (1,093)
Chlorhexidine HCl

>  <Catalog Number> (1,093)
S3067

>  <Synonyms> (1,093)
N/A

>  <Target> (1,093)
Others

>  <Form> (1,093)
HCl

>  <URL> (1,093)
http://www.selleckchem.com/products/chlorhexidine-hcl.html

>  <CAS Number> (1,093)
3697-42-5

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/02221609172D

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,094)
1324

>  <Formula> (1,094)
C18H22Cl2N2O2

>  <MolWeight> (1,094)
369.28548

>  <Item Name> (1,094)
Diclofenac Diethylamine

>  <Catalog Number> (1,094)
S3063

>  <Synonyms> (1,094)
N/A

>  <Target> (1,094)
Others

>  <Form> (1,094)
Diethylamine

>  <URL> (1,094)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (1,094)
78213-16-8

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/02221609172D

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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,095)
1325

>  <Formula> (1,095)
C14H10Cl2KNO2

>  <MolWeight> (1,095)
334.239

>  <Item Name> (1,095)
Diclofenac Potassium

>  <Catalog Number> (1,095)
S3062

>  <Synonyms> (1,095)
N/A

>  <Target> (1,095)
Others

>  <Form> (1,095)
Potassium

>  <URL> (1,095)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (1,095)
15307-81-0

$$$$
Epinephrine HCl.cdx
csChFnd80/02221609172D

 14 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,096)
1327

>  <Formula> (1,096)
C9H14ClNO3

>  <MolWeight> (1,096)
219.66536

>  <Item Name> (1,096)
Epinephrine HCl (Adrenaline)

>  <Catalog Number> (1,096)
S3061

>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
Adrenergic Receptor

>  <Form> (1,096)
HCl 

>  <URL> (1,096)
http://www.selleckchem.com/products/epinephrine-hcl-adrenaline.html

>  <CAS Number> (1,096)
55-31-2

$$$$
Inosine.cdx
csChFnd80/02221609172D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7495    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    2.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.8822    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.1905    5.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  8  1  1  0  0  0
  8  9  1  0  0  0  0
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 14 10  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,097)
1330

>  <Formula> (1,097)
C10H12N4O5

>  <MolWeight> (1,097)
268.22608

>  <Item Name> (1,097)
Inosine

>  <Catalog Number> (1,097)
S2442

>  <Synonyms> (1,097)
N/A

>  <Target> (1,097)
Others

>  <Form> (1,097)
Free Base

>  <URL> (1,097)
http://www.selleckchem.com/products/inosine.html

>  <CAS Number> (1,097)
58-63-9

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/02221609172D

 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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  1  2  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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 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> (1,098)
1331

>  <Formula> (1,098)
C28H37ClO7

>  <MolWeight> (1,098)
521.04218

>  <Item Name> (1,098)
Beclomethasone dipropionate 

>  <Catalog Number> (1,098)
S3078

>  <Synonyms> (1,098)
Beclometasone dipropionate

>  <Target> (1,098)
Others

>  <Form> (1,098)
Free Base

>  <URL> (1,098)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

>  <CAS Number> (1,098)
5534-09-8

$$$$
Naloxone HCL.cdx
csChFnd80/02221609172D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.8000    4.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.1341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9000    5.3465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2000    6.5590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8000    6.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.9217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3000    2.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  0  0  0  0
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 14  1  1  0  0  0  0
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 13 16  1  0  0  0  0
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M  END
>  <Mol_ID> (1,099)
1332

>  <Formula> (1,099)
C19H22ClNO4

>  <MolWeight> (1,099)
363.83528

>  <Item Name> (1,099)
Naloxone HCl

>  <Catalog Number> (1,099)
S3066

>  <Synonyms> (1,099)
N/A

>  <Target> (1,099)
Opioid Receptor

>  <Form> (1,099)
HCl

>  <URL> (1,099)
http://www.selleckchem.com/products/naloxone-hcl.html

>  <CAS Number> (1,099)
357-08-4

$$$$
Pircetam.cdx
csChFnd80/02221609172D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1531    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> (1,100)
1333

>  <Formula> (1,100)
C6H10N2O2

>  <MolWeight> (1,100)
142.1558

>  <Item Name> (1,100)
Piracetam

>  <Catalog Number> (1,100)
S3070

>  <Synonyms> (1,100)
N/A

>  <Target> (1,100)
Others

>  <Form> (1,100)
Free Base

>  <URL> (1,100)
http://www.selleckchem.com/products/piracetam.html

>  <CAS Number> (1,100)
7491-74-9

$$$$
Vanillin.cdx
csChFnd80/02221609172D

 11 11  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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    3.6373    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> (1,101)
1334

>  <Formula> (1,101)
C8H8O3

>  <MolWeight> (1,101)
152.14732

>  <Item Name> (1,101)
Vanillin 

>  <Catalog Number> (1,101)
S3071

>  <Synonyms> (1,101)
N/A

>  <Target> (1,101)
Others

>  <Form> (1,101)
Free Base

>  <URL> (1,101)
http://www.selleckchem.com/products/vanillin.html

>  <CAS Number> (1,101)
121-33-5

$$$$
Dexmedetomidine.cdx
csChFnd80/02221609172D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.6364    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2695    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.3976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,102)
1336

>  <Formula> (1,102)
C13H16N2

>  <MolWeight> (1,102)
200.27954

>  <Item Name> (1,102)
Dexmedetomidine

>  <Catalog Number> (1,102)
S3075

>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
Adrenergic Receptor

>  <Form> (1,102)
Free Base

>  <URL> (1,102)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (1,102)
113775-47-6

$$$$
Foscarnet Sodium.cdx
csChFnd80/02221609172D

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    1.4000    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    4.2000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8000    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4000    0.7000    0.0000 O   0  5  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
    2.2400    1.4140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.8400    1.4140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.5400    0.0140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
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  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,103)
1337

>  <Formula> (1,103)
CNa3O5P

>  <MolWeight> (1,103)
191.950771

>  <Item Name> (1,103)
Foscarnet Sodium

>  <Catalog Number> (1,103)
S3076

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
Others

>  <Form> (1,103)
Sodium

>  <URL> (1,103)
http://www.selleckchem.com/products/foscarnet-sodium.html

>  <CAS Number> (1,103)
63585-09-1
63585-09-1

$$$$
Acesulfame potassium.cdx
csChFnd80/02221609172D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.5912    2.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    3.0562    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    4.4562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    5.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036    4.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036    3.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    6.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0160    2.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    1.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5183    0.0000    0.0000 K   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
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  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,104)
1338

>  <Formula> (1,104)
C4H5KNO4S

>  <MolWeight> (1,104)
202.2501

>  <Item Name> (1,104)
Acesulfame Potassium 

>  <Catalog Number> (1,104)
S2884

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
Others

>  <Form> (1,104)
Potassium Salt

>  <URL> (1,104)
http://www.selleckchem.com/products/acesulfame-potassium.html

>  <CAS Number> (1,104)
55589-62-3

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/02221609172D

 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
    2.8000    2.4249    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
    4.9000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    4.8497    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
    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
  6  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,105)
1340

>  <Formula> (1,105)
C9H10O3

>  <MolWeight> (1,105)
166.1739

>  <Item Name> (1,105)
Apocynin (Acetovanillone)

>  <Catalog Number> (1,105)
S2425

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
Others

>  <Form> (1,105)
Free Base

>  <URL> (1,105)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

>  <CAS Number> (1,105)
498-02-2

$$$$
Gambogic acid.cdx
csChFnd80/02221609172D

 46 51  0  0  0  0  0  0  0  0999 V2000
    4.5346    3.5731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5362    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    4.2489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7110    4.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5209    5.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7110    1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553    1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1736    3.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    3.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562    2.1731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0705    6.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7013    0.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2302    7.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1032    1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2781    3.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1048    5.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6703    3.5731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2475    7.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6703    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8412    3.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3918    8.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9717    2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2007    0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4818    4.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9636    5.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2013    7.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7236    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 39  1  1  0  0  0
  8 40  2  0  0  0  0
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  3 45  1  0  0  0  0
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 42 46  1  6  0  0  0
 10 46  1  6  0  0  0
M  END
>  <Mol_ID> (1,106)
1342

>  <Formula> (1,106)
C38H44O8

>  <MolWeight> (1,106)
628.75116

>  <Item Name> (1,106)
Gambogic Acid

>  <Catalog Number> (1,106)
S2448

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
Others

>  <Form> (1,106)
Free Base

>  <URL> (1,106)
http://www.selleckchem.com/products/gambogic-acid.html

>  <CAS Number> (1,106)
2752-65-0

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/02221609172D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8388    3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0568    4.1919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6374    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8388    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4195    3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,107)
1343

>  <Formula> (1,107)
C22H19ClO3

>  <MolWeight> (1,107)
366.83746

>  <Item Name> (1,107)
Atovaquone (Atavaquone)

>  <Catalog Number> (1,107)
S3079

>  <Synonyms> (1,107)
N/A

>  <Target> (1,107)
Free Base

>  <Form> (1,107)
Free Base

>  <URL> (1,107)
http://www.selleckchem.com/products/atovaquone-atavaquone.html

>  <CAS Number> (1,107)
95233-18-4

$$$$
etravirine (TMC125).cdx
csChFnd80/02221609172D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   12.1213    4.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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csChFnd80/02221609172D

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118-00-3

$$$$
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csChFnd80/02221609172D

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23828-92-4

$$$$
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csChFnd80/02221609172D

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A 205804.cdx
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251992-66-2

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M  END
>  <Mol_ID> (1,122)
1359

>  <Formula> (1,122)
C28H29N5OS

>  <MolWeight> (1,122)
483.62776

>  <Item Name> (1,122)
IKK-16

>  <Catalog Number> (1,122)
S2882

>  <Synonyms> (1,122)
N/A

>  <Target> (1,122)
IKK

>  <Form> (1,122)
Free Base

>  <URL> (1,122)
http://www.selleckchem.com/products/ikk-16.html

>  <CAS Number> (1,122)
873225-46-8

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,123)
1360

>  <Formula> (1,123)
C18H21N5O2

>  <MolWeight> (1,123)
339.39164

>  <Item Name> (1,123)
Alogliptin£¨SYR-322£©

>  <Catalog Number> (1,123)
S2868

>  <Synonyms> (1,123)
N/A

>  <Target> (1,123)
DPP-4

>  <Form> (1,123)
Free Base

>  <URL> (1,123)
http://www.selleckchem.com/products/alogliptin-syr-322.html

>  <CAS Number> (1,123)
850649-61-5

$$$$
Indacaterol Maleate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,124)
1361

>  <Formula> (1,124)
C28H32N2O7

>  <MolWeight> (1,124)
508.56288

>  <Item Name> (1,124)
Indacaterol Maleate

>  <Catalog Number> (1,124)
S3083

>  <Synonyms> (1,124)
N/A

>  <Target> (1,124)
Adrenergic Receptor

>  <Form> (1,124)
Maleate

>  <URL> (1,124)
http://www.selleckchem.com/products/indacaterol-maleate.html

>  <CAS Number> (1,124)
753498-25-8

$$$$
Betulinic acid.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,125)
1364

>  <Formula> (1,125)
C30H48O3

>  <MolWeight> (1,125)
456.70032

>  <Item Name> (1,125)
Betulinic acid

>  <Catalog Number> (1,125)
S3603

>  <Target> (1,125)
N/A

>  <Form> (1,125)
Free Base

>  <URL> (1,125)
http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (1,125)
472-15-1

$$$$
Triptolide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,141)
1382

>  <Formula> (1,141)
C14H16ClN3O

>  <MolWeight> (1,141)
277.74934

>  <Item Name> (1,141)
JNJ-7777120

>  <Catalog Number> (1,141)
S2905

>  <Synonyms> (1,141)
JNJ 7777120

>  <Target> (1,141)
Histamine Receptor

>  <Form> (1,141)
Free Base

>  <URL> (1,141)
http://www.selleckchem.com/products/jnj-7777120.html

>  <CAS Number> (1,141)
459168-41-3

$$$$
4-AMINOHIPPURIC ACID.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,142)
1385

>  <Formula> (1,142)
C9H10N2O3

>  <MolWeight> (1,142)
194.1873

>  <Item Name> (1,142)
4-Aminohippuric Acid

>  <Catalog Number> (1,142)
S2883

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
Others

>  <Form> (1,142)
Free Base

>  <URL> (1,142)
http://www.selleckchem.com/products/4-aminohippuric-acid.html

>  <CAS Number> (1,142)
61-78-9

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/02221609172D

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   13.3073    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,143)
1386

>  <Formula> (1,143)
C23H27Cl2N3O2

>  <MolWeight> (1,143)
448.38538

>  <Item Name> (1,143)
Aripiprazole (Abilify)

>  <Catalog Number> (1,143)
S1975

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
5-HT Receptor

>  <Form> (1,143)
Free Base

>  <URL> (1,143)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (1,143)
129722-12-9

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/02221609172D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,144)
1387

>  <Formula> (1,144)
C18H20ClNOS

>  <MolWeight> (1,144)
333.8755

>  <Item Name> (1,144)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (1,144)
S2084

>  <Synonyms> (1,144)
N/A

>  <Target> (1,144)
5-HT Receptor

>  <Form> (1,144)
HCl

>  <URL> (1,144)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (1,144)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/02221609172D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,145)
1388

>  <Formula> (1,145)
C21H31N3O7S

>  <MolWeight> (1,145)
469.55174

>  <Item Name> (1,145)
Almotriptan malate (Axert)

>  <Catalog Number> (1,145)
S2096

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
5-HT Receptor

>  <Form> (1,145)
Malate

>  <URL> (1,145)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (1,145)
181183-52-8

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/02221609172D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 14  8  1  0  0  0  0
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 23 18  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,146)
1391

>  <Formula> (1,146)
C19H21ClFNO3

>  <MolWeight> (1,146)
365.8263432

>  <Item Name> (1,146)
Paroxetine HCl

>  <Catalog Number> (1,146)
S3005

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
5-HT Receptor

>  <Form> (1,146)
HCl

>  <URL> (1,146)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (1,146)
78246-49-8

$$$$
Terazosin hydrochloride.cdx
csChFnd80/02221609172D

 31 31  0  0  0  0  0  0  0  0999 V2000
   10.4421    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4421    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6545    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8670    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8670    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2296    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0172    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0628    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4323    3.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1323    5.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1955    6.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3060    1.1326    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.3920    3.8427    0.0000 O   0  0  0  0  0  0  0  0  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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  8 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
  3 15  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,147)
1392

>  <Formula> (1,147)
C19H30ClN5O6

>  <MolWeight> (1,147)
459.9244

>  <Item Name> (1,147)
Terazosin HCl (Hytrin)

>  <Catalog Number> (1,147)
S2059

>  <Synonyms> (1,147)
N/A

>  <Target> (1,147)
Adrenergic Receptor

>  <Form> (1,147)
HCl

>  <URL> (1,147)
http://www.selleckchem.com/products/terazosin-hydrochloride-hytrin.html

>  <CAS Number> (1,147)
70024-40-7

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/02221609172D

 35 37  0  0  0  0  0  0  0  0999 V2000
    8.0762   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   14.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   17.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   19.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7093   17.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   19.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9175   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3762   14.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5886   13.7147    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9497   12.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9632   11.3806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3243   10.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6764    2.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 20 21  1  0  0  0  0
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 29 23  1  0  0  0  0
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 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 25 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,148)
1393

>  <Formula> (1,148)
C27H37ClN2O5

>  <MolWeight> (1,148)
505.04608

>  <Item Name> (1,148)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (1,148)
S2086

>  <Synonyms> (1,148)
N/A

>  <Target> (1,148)
Adrenergic Receptor

>  <Form> (1,148)
HCl

>  <URL> (1,148)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (1,148)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/02221609172D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.5076    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6076    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5076    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0027    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7003    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1003    1.2082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7979    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1979    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8954    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2906    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1979    4.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7979    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 11 12  1  0  0  0  0
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  9 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,149)
1394

>  <Formula> (1,149)
C18H29NO3

>  <MolWeight> (1,149)
307.42776

>  <Item Name> (1,149)
Betaxolol (Betoptic)

>  <Catalog Number> (1,149)
S2091

>  <Synonyms> (1,149)
N/A

>  <Target> (1,149)
Adrenergic Receptor

>  <Form> (1,149)
Free Base

>  <URL> (1,149)
http://www.selleckchem.com/products/betaxolol-betoptic.html

>  <CAS Number> (1,149)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/02221609172D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.6322    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8446    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9368    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0694    0.7077    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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M  END
>  <Mol_ID> (1,150)
1395

>  <Formula> (1,150)
C12H15ClN2

>  <MolWeight> (1,150)
222.7139

>  <Item Name> (1,150)
Detomidine HCl

>  <Catalog Number> (1,150)
S2092

>  <Synonyms> (1,150)
N/A

>  <Target> (1,150)
Adrenergic Receptor

>  <Form> (1,150)
HCl

>  <URL> (1,150)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (1,150)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/02221609172D

 87 92  0  0  0  0  0  0  0  0999 V2000
    1.2082   12.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207   12.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.9896    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580   10.6896    0.0000 N   0  3  2  0  0  0  0  0  0  0  0  0
    6.0580   12.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,151)
1396

>  <Formula> (1,151)
C65H82N2O18S2

>  <MolWeight> (1,151)
1243.47918

>  <Item Name> (1,151)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (1,151)
S2113

>  <Synonyms> (1,151)
N/A

>  <Target> (1,151)
Adrenergic Receptor

>  <Form> (1,151)
Besylate

>  <URL> (1,151)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (1,151)
96946-42-8

$$$$
Levosulpiride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,152)
1397

>  <Formula> (1,152)
C15H23N3O4S

>  <MolWeight> (1,152)
341.42582

>  <Item Name> (1,152)
Levosulpiride (Levogastrol)

>  <Catalog Number> (1,152)
S2104

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
Dopamine Receptor   

>  <Form> (1,152)
Free Base

>  <URL> (1,152)
http://www.selleckchem.com/products/levosulpiride-levogastrol.html

>  <CAS Number> (1,152)
23672-07-3

$$$$
Trimebutine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,153)
1398

>  <Formula> (1,153)
C22H29NO5

>  <MolWeight> (1,153)
387.46936

>  <Item Name> (1,153)
Trimebutine

>  <Catalog Number> (1,153)
S2085

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
Opioid Receptor

>  <Form> (1,153)
Free Base

>  <URL> (1,153)
http://www.selleckchem.com/products/trimebutine.html

>  <CAS Number> (1,153)
39133-31-8

$$$$
Naltrexone hydrochloride.cdx
csChFnd80/02221609172D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,172)
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>  <Formula> (1,172)
C19H25F3N2O6

>  <MolWeight> (1,172)
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>  <Item Name> (1,172)
Fluvoxamine maleate

>  <Catalog Number> (1,172)
S1336

>  <Synonyms> (1,172)
Luvox

>  <Target> (1,172)
5-HT Receptor

>  <Form> (1,172)
Maleate

>  <URL> (1,172)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (1,172)
61718-82-9

$$$$
Oxcarbazepine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,173)
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>  <Formula> (1,173)
C15H12N2O2

>  <MolWeight> (1,173)
252.26798

>  <Item Name> (1,173)
Oxcarbazepine

>  <Catalog Number> (1,173)
S1391

>  <Synonyms> (1,173)
Trileptal

>  <Target> (1,173)
Sodium Channel

>  <Form> (1,173)
Free Base

>  <URL> (1,173)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (1,173)
28721-07-5

$$$$
H-89.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,174)
1425

>  <Formula> (1,174)
C20H22BrCl2N3O2S

>  <MolWeight> (1,174)
519.28258

>  <Item Name> (1,174)
H 89 2HCl

>  <Catalog Number> (1,174)
S1582

>  <Synonyms> (1,174)
N/A

>  <Target> (1,174)
S6 Kinase

>  <Form> (1,174)
2HCl

>  <URL> (1,174)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

>  <CAS Number> (1,174)
130964-39-5

$$$$
NAQUIVAL (trichlormethiazide).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,175)
1426

>  <Formula> (1,175)
C8H8Cl3N3O4S2

>  <MolWeight> (1,175)
380.65582

>  <Item Name> (1,175)
Trichlormethiazide (Achletin)

>  <Catalog Number> (1,175)
S1667

>  <Synonyms> (1,175)
Achletin, Diu-Hydrin, Triflumen

>  <Target> (1,175)
Others

>  <Form> (1,175)
Free Base

>  <URL> (1,175)
http://www.selleckchem.com/products/Trichlormethiazide(Achletin).html

>  <CAS Number> (1,175)
133-67-5

$$$$
PROFENAL (suprofen).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,176)
1427

>  <Formula> (1,176)
C14H12O3S

>  <MolWeight> (1,176)
260.30828

>  <Item Name> (1,176)
Suprofen (Profenal)

>  <Catalog Number> (1,176)
S1761

>  <Synonyms> (1,176)
Profenal, Topalgic, Suprol

>  <Target> (1,176)
Others

>  <Form> (1,176)
Free Base

>  <URL> (1,176)
http://www.selleckchem.com/products/Suprofen(Profenal).html

>  <CAS Number> (1,176)
40828-46-4

$$$$
Pranlukast.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,177)
1429

>  <Formula> (1,177)
C27H23N5O4

>  <MolWeight> (1,177)
481.50262

>  <Item Name> (1,177)
Pranlukast

>  <Catalog Number> (1,177)
S1829

>  <Synonyms> (1,177)
N/A

>  <Target> (1,177)
Others

>  <Form> (1,177)
Free Base

>  <URL> (1,177)
http://www.selleckchem.com/products/pranlukast.html

>  <CAS Number> (1,177)
103177-37-3

$$$$
Oxfendazole.cdx
csChFnd80/02221609172D

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 14  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,178)
1430

>  <Formula> (1,178)
C15H13N3O3S

>  <MolWeight> (1,178)
315.34702

>  <Item Name> (1,178)
Oxfendazole

>  <Catalog Number> (1,178)
S1830

>  <Synonyms> (1,178)
N/A

>  <Target> (1,178)
Others

>  <Form> (1,178)
Free Base

>  <URL> (1,178)
http://www.selleckchem.com/products/oxfendazole.html

>  <CAS Number> (1,178)
53716-50-0

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,179)
1431

>  <Formula> (1,179)
C9H9Cl2N5S

>  <MolWeight> (1,179)
290.17226

>  <Item Name> (1,179)
Tizanidine HCl

>  <Catalog Number> (1,179)
S1437

>  <Synonyms> (1,179)
Zanaflex, Sirdalud

>  <Target> (1,179)
Adrenergic Receptor

>  <Form> (1,179)
HCl

>  <URL> (1,179)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (1,179)
64461-82-1

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,180)
1434

>  <Formula> (1,180)
C43H75NO16

>  <MolWeight> (1,180)
862.0527

>  <Item Name> (1,180)
Erythromycin Ethylsuccinate

>  <Catalog Number> (1,180)
S4060

>  <Synonyms> (1,180)
N/A

>  <Target> (1,180)
Others

>  <Form> (1,180)
Free Base

>  <URL> (1,180)
http://www.selleckchem.com/products/erythromycin-ethylsuccinate.html

>  <CAS Number> (1,180)
1264-62-6

$$$$
Linezolid.cdx
csChFnd80/02221609172D

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Pralatrexate(Folotyn)

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S1497

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Folotyn

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DHFR

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146464-95-1

$$$$
CAVERJECT (alprostadil).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,182)
1436

>  <Formula> (1,182)
C20H34O5

>  <MolWeight> (1,182)
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>  <Item Name> (1,182)
Alprostadil(Caverject)

>  <Catalog Number> (1,182)
S1508

>  <Synonyms> (1,182)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (1,182)
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>  <Form> (1,182)
Free Base

>  <URL> (1,182)
http://www.selleckchem.com/products/Alprostadil(Caverject).html

>  <CAS Number> (1,182)
745-65-3

$$$$

csChFnd80/02221609172D

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>  <Mol_ID> (1,183)
1437

>  <Formula> (1,183)
C18H25N3O2

>  <MolWeight> (1,183)
315.41

>  <Item Name> (1,183)
Saxagliptin (BMS-477118,Onglyza)

>  <Catalog Number> (1,183)
S1540

>  <Synonyms> (1,183)
N/A

>  <Target> (1,183)
DPP-4

>  <Form> (1,183)
Free Base

>  <URL> (1,183)
http://www.selleckchem.com/products/Saxagliptin(Onglyza).html

>  <CAS Number> (1,183)
361442-04-8

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,184)
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>  <Formula> (1,184)
C19H29ClN2O4

>  <MolWeight> (1,184)
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>  <Item Name> (1,184)
Roxatidine acetate HCl

>  <Catalog Number> (1,184)
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>  <Synonyms> (1,184)
N/A

>  <Target> (1,184)
Histamine Receptor

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HCl

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http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (1,184)
93793-83-0

$$$$
Protionamide.cdx
csChFnd80/02221609172D

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>  <Formula> (1,185)
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>  <Target> (1,185)
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>  <URL> (1,185)
http://www.selleckchem.com/products/protionamide-prothionamide.html

>  <CAS Number> (1,185)
14222-60-7

$$$$
MICROSUL (sulfamethizole).cdx
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>  <URL> (1,186)
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144-82-1

$$$$
MYDRIACYL (tropicamide).cdx
csChFnd80/02221609172D

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AChR

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>  <CAS Number> (1,187)
1508-75-4

$$$$
Sulbactam.cdx
csChFnd80/02221609172D

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N/A

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>  <URL> (1,188)
http://www.selleckchem.com/products/sulbactam.html

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68373-14-8

$$$$
Pranoprofen.cdx
csChFnd80/02221609172D

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52549-17-4

$$$$
Rimantadine.cdx
csChFnd80/02221609172D

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13392-28-4

$$$$
Meglumine.cdx
csChFnd80/02221609172D

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

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6284-40-8

$$$$
Diclazuril.cdx
csChFnd80/02221609172D

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Free Base

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>  <CAS Number> (1,192)
101831-37-2

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/02221609172D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,193)
1450

>  <Formula> (1,193)
C26H28Cl2F2N2

>  <MolWeight> (1,193)
477.4167264

>  <Item Name> (1,193)
Flunarizine 2HCl

>  <Catalog Number> (1,193)
S2030

>  <Synonyms> (1,193)
N/A

>  <Target> (1,193)
Calcium Channel

>  <Form> (1,193)
2HCl

>  <URL> (1,193)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (1,193)
30484-77-6

$$$$
Fenticonazole nitrate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,194)
1451

>  <Formula> (1,194)
C24H21Cl2N3O4S

>  <MolWeight> (1,194)
518.41224

>  <Item Name> (1,194)
Fenticonazole nitrate

>  <Catalog Number> (1,194)
S2031

>  <Synonyms> (1,194)
N/A

>  <Target> (1,194)
Others

>  <Form> (1,194)
Nitrate

>  <URL> (1,194)
http://www.selleckchem.com/products/fenticonazole-nitrate.html

>  <CAS Number> (1,194)
73151-29-8

$$$$
Rebamipide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,195)
1452

>  <Formula> (1,195)
C19H15ClN2O4

>  <MolWeight> (1,195)
370.7864

>  <Item Name> (1,195)
Rebamipide

>  <Catalog Number> (1,195)
S2032

>  <Synonyms> (1,195)
N/A

>  <Target> (1,195)
Others

>  <Form> (1,195)
Free Base

>  <URL> (1,195)
http://www.selleckchem.com/products/rebamipide.html

>  <CAS Number> (1,195)
90098-04-7

$$$$
Bromhexine hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,196)
1453

>  <Formula> (1,196)
C14H21Br2ClN2

>  <MolWeight> (1,196)
412.59094

>  <Item Name> (1,196)
Bromhexine HCl

>  <Catalog Number> (1,196)
S2060

>  <Synonyms> (1,196)
N/A

>  <Target> (1,196)
Others

>  <Form> (1,196)
HCl

>  <URL> (1,196)
http://www.selleckchem.com/products/bromhexine-hydrochloride.html

>  <CAS Number> (1,196)
611-75-6

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/02221609172D

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Lovastatin (Mevacor)

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>  <Synonyms> (1,197)
N/A

>  <Target> (1,197)
HMG-CoA Reductase

>  <Form> (1,197)
Free Base

>  <URL> (1,197)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (1,197)
75330-75-5

$$$$
Tiopronin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,198)
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>  <Formula> (1,198)
C5H9NO3S

>  <MolWeight> (1,198)
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>  <Item Name> (1,198)
Tiopronin (Thiola)

>  <Catalog Number> (1,198)
S2062

>  <Synonyms> (1,198)
N/A

>  <Target> (1,198)
Others

>  <Form> (1,198)
Free Base

>  <URL> (1,198)
http://www.selleckchem.com/products/tiopronin-thiola.html

>  <CAS Number> (1,198)
1953-02-2

$$$$
Balofloxacin.cdx
csChFnd80/02221609172D

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M  END
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>  <Formula> (1,199)
C20H24FN3O4

>  <MolWeight> (1,199)
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>  <Item Name> (1,199)
Balofloxacin

>  <Catalog Number> (1,199)
S2064

>  <Synonyms> (1,199)
N/A

>  <Target> (1,199)
Others

>  <Form> (1,199)
Free Base

>  <URL> (1,199)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (1,199)
127294-70-6

$$$$
Lafutidine.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,200)
1458

>  <Formula> (1,200)
C22H29N3O4S

>  <MolWeight> (1,200)
431.54836

>  <Item Name> (1,200)
Lafutidine

>  <Catalog Number> (1,200)
S2065

>  <Synonyms> (1,200)
N/A

>  <Target> (1,200)
Histamine Receptor

>  <Form> (1,200)
Free Base

>  <URL> (1,200)
http://www.selleckchem.com/products/lafutidine.html

>  <CAS Number> (1,200)
118288-08-7

$$$$
Moxonidine.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,201)
1459

>  <Formula> (1,201)
C9H12ClN5O

>  <MolWeight> (1,201)
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S2066

>  <Synonyms> (1,201)
N/A

>  <Target> (1,201)
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>  <Form> (1,201)
Free Base

>  <URL> (1,201)
http://www.selleckchem.com/products/moxonidine.html

>  <CAS Number> (1,201)
75438-57-2

$$$$
Argatroban.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,202)
1460

>  <Formula> (1,202)
C23H36N6O5S

>  <MolWeight> (1,202)
508.63414

>  <Item Name> (1,202)
Argatroban

>  <Catalog Number> (1,202)
S2069

>  <Synonyms> (1,202)
N/A

>  <Target> (1,202)
Others

>  <Form> (1,202)
Free Base

>  <URL> (1,202)
http://www.selleckchem.com/products/argatroban.html

>  <CAS Number> (1,202)
74863-84-6

$$$$
Mecarbinate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,203)
1461

>  <Formula> (1,203)
C13H15NO3

>  <MolWeight> (1,203)
233.2631

>  <Item Name> (1,203)
Mecarbinate

>  <Catalog Number> (1,203)
S2074

>  <Synonyms> (1,203)
N/A

>  <Target> (1,203)
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>  <Form> (1,203)
Free Base

>  <URL> (1,203)
http://www.selleckchem.com/products/mecarbinate.html

>  <CAS Number> (1,203)
15574-49-9

$$$$
Rosiglitazone hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,204)
1462

>  <Formula> (1,204)
C18H20ClN3O3S

>  <MolWeight> (1,204)
393.8877

>  <Item Name> (1,204)
Rosiglitazone HCl

>  <Catalog Number> (1,204)
S2075

>  <Synonyms> (1,204)
N/A

>  <Target> (1,204)
PPAR

>  <Form> (1,204)
HCl

>  <URL> (1,204)
http://www.selleckchem.com/products/rosiglitazone-hydrochloride.html

>  <CAS Number> (1,204)
302543-62-0

$$$$
Atorvastatin calcium.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,205)
1464

>  <Formula> (1,205)
C66H68CaF2N4O10

>  <MolWeight> (1,205)
1155.3417264

>  <Item Name> (1,205)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (1,205)
S2077

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
HMG-CoA Reductase

>  <Form> (1,205)
Calcium 

>  <URL> (1,205)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (1,205)
134523-03-8

$$$$
Famotidine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,206)
1465

>  <Formula> (1,206)
C8H15N7O2S3

>  <MolWeight> (1,206)
337.4454

>  <Item Name> (1,206)
Famotidine (Pepcid)

>  <Catalog Number> (1,206)
S2078

>  <Synonyms> (1,206)
N/A

>  <Target> (1,206)
Histamine Receptor

>  <Form> (1,206)
Free Base

>  <URL> (1,206)
http://www.selleckchem.com/products/famotidine-pepcid.html

>  <CAS Number> (1,206)
76824-35-6

$$$$
Moexipril hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,207)
1466

>  <Formula> (1,207)
C27H35ClN2O7

>  <MolWeight> (1,207)
535.029

>  <Item Name> (1,207)
Moexipril HCl

>  <Catalog Number> (1,207)
S2079

>  <Synonyms> (1,207)
N/A

>  <Target> (1,207)
RAAS

>  <Form> (1,207)
HCl

>  <URL> (1,207)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (1,207)
82586-52-5

$$$$
Cleviprex.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,208)
1467

>  <Formula> (1,208)
C21H23Cl2NO6

>  <MolWeight> (1,208)
456.31642

>  <Item Name> (1,208)
Cleviprex (Clevidipine)

>  <Catalog Number> (1,208)
S2080

>  <Synonyms> (1,208)
N/A

>  <Target> (1,208)
Calcium Channel

>  <Form> (1,208)
Free Base

>  <URL> (1,208)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (1,208)
167221-71-8

$$$$
Adiphenine hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,209)
1469

>  <Formula> (1,209)
C20H26ClNO2

>  <MolWeight> (1,209)
347.87894

>  <Item Name> (1,209)
Adiphenine HCl

>  <Catalog Number> (1,209)
S2082

>  <Synonyms> (1,209)
N/A

>  <Target> (1,209)
Others

>  <Form> (1,209)
HCl

>  <URL> (1,209)
http://www.selleckchem.com/products/adiphenine-hcl.html

>  <CAS Number> (1,209)
50-42-0

$$$$
Rivastigmine tartrate.cdx
csChFnd80/02221609172D

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1470

>  <Formula> (1,210)
C18H28N2O8

>  <MolWeight> (1,210)
400.42352

>  <Item Name> (1,210)
Rivastigmine tartrate (Exelon)

>  <Catalog Number> (1,210)
S2087

>  <Synonyms> (1,210)
N/A

>  <Target> (1,210)
AChR

>  <Form> (1,210)
Tartrate

>  <URL> (1,210)
http://www.selleckchem.com/products/rivastigmine-tartrate-exelon.html

>  <CAS Number> (1,210)
129101-54-8

$$$$
Ambrisentan.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,211)
1474

>  <Formula> (1,211)
C22H22N2O4

>  <MolWeight> (1,211)
378.42108

>  <Item Name> (1,211)
Ambrisentan

>  <Catalog Number> (1,211)
S2097

>  <Synonyms> (1,211)
N/A

>  <Target> (1,211)
Others

>  <Form> (1,211)
Free Base

>  <URL> (1,211)
http://www.selleckchem.com/products/ambrisentan.html

>  <CAS Number> (1,211)
177036-94-1

$$$$
Bexarotene.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,212)
1475

>  <Formula> (1,212)
C24H28O2

>  <MolWeight> (1,212)
348.47792

>  <Item Name> (1,212)
Bexarotene

>  <Catalog Number> (1,212)
S2098

>  <Synonyms> (1,212)
N/A

>  <Target> (1,212)
Others

>  <Form> (1,212)
Free Base

>  <URL> (1,212)
http://www.selleckchem.com/products/bexarotene.html

>  <CAS Number> (1,212)
153559-49-0

$$$$
Temocapril hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,213)
1476

>  <Formula> (1,213)
C23H29ClN2O5S2

>  <MolWeight> (1,213)
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>  <Item Name> (1,213)
Temocapril HCl

>  <Catalog Number> (1,213)
S2099

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
RAAS

>  <Form> (1,213)
HCl

>  <URL> (1,213)
http://www.selleckchem.com/products/temocapril-hcl.html

>  <CAS Number> (1,213)
110221-44-8

$$$$
Gabexate mesylate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,214)
1478

>  <Formula> (1,214)
C17H27N3O7S

>  <MolWeight> (1,214)
417.47718

>  <Item Name> (1,214)
Gabexate mesylate

>  <Catalog Number> (1,214)
S2101

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
Proteasome

>  <Form> (1,214)
Mesylate

>  <URL> (1,214)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (1,214)
56974-61-9

$$$$
Rasagiline mesylate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,215)
1479

>  <Formula> (1,215)
C13H17NO3S

>  <MolWeight> (1,215)
267.34398

>  <Item Name> (1,215)
Rasagiline mesylate

>  <Catalog Number> (1,215)
S2102

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
MAO

>  <Form> (1,215)
Mesylate

>  <URL> (1,215)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (1,215)
161735-79-1

$$$$
Flunixin meglumine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,216)
1481

>  <Formula> (1,216)
C21H28F3N3O7

>  <MolWeight> (1,216)
491.4581296

>  <Item Name> (1,216)
Flunixin meglumin

>  <Catalog Number> (1,216)
S2108

>  <Synonyms> (1,216)
N/A

>  <Target> (1,216)
COX

>  <Form> (1,216)
Meglumin

>  <URL> (1,216)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (1,216)
42461-84-7

$$$$
Imidapril.cdx
csChFnd80/02221609172D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,217)
1482

>  <Formula> (1,217)
C20H27N3O6

>  <MolWeight> (1,217)
405.44488

>  <Item Name> (1,217)
Imidapril (Tanatril)

>  <Catalog Number> (1,217)
S2109

>  <Synonyms> (1,217)
N/A

>  <Target> (1,217)
RAAS

>  <Form> (1,217)
Free Base

>  <URL> (1,217)
http://www.selleckchem.com/products/imidapril-tanatril.html

>  <CAS Number> (1,217)
89371-37-9

$$$$
Dronedarone hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,218)
1484

>  <Formula> (1,218)
C31H45ClN2O5S

>  <MolWeight> (1,218)
593.2174

>  <Item Name> (1,218)
Dronedarone HCl (Multaq)

>  <Catalog Number> (1,218)
S2114

>  <Synonyms> (1,218)
N/A

>  <Target> (1,218)
Others

>  <Form> (1,218)
HCl

>  <URL> (1,218)
http://www.selleckchem.com/products/dronedarone-hcl-multaq.html

>  <CAS Number> (1,218)
141625-93-6

$$$$
Conivaptan hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,219)
1485

>  <Formula> (1,219)
C32H27ClN4O2

>  <MolWeight> (1,219)
535.03538

>  <Item Name> (1,219)
Conivaptan HCl (Vaprisol)

>  <Catalog Number> (1,219)
S2116

>  <Synonyms> (1,219)
N/A

>  <Target> (1,219)
Others

>  <Form> (1,219)
HCl

>  <URL> (1,219)
http://www.selleckchem.com/products/conivaptan-hcl-vaprisol.html

>  <CAS Number> (1,219)
168626-94-6

$$$$

csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,220)
1486

>  <Formula> (1,220)
C44H76N4O10S2

>  <MolWeight> (1,220)
885.22504

>  <Item Name> (1,220)
Ibutilide fumarate

>  <Catalog Number> (1,220)
S2118

>  <Synonyms> (1,220)
N/A

>  <Target> (1,220)
Sodium Channel

>  <Form> (1,220)
Fumarate

>  <URL> (1,220)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (1,220)
122647-32-9

$$$$
LORELCO (probucol).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,221)
1487

>  <Formula> (1,221)
C31H48O2S2

>  <MolWeight> (1,221)
516.84162

>  <Item Name> (1,221)
Probucol

>  <Catalog Number> (1,221)
S2119

>  <Synonyms> (1,221)
N/A

>  <Target> (1,221)
Others

>  <Form> (1,221)
Free Base

>  <URL> (1,221)
http://www.selleckchem.com/products/probucol.html

>  <CAS Number> (1,221)
23288-49-5

$$$$
Arbidol hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,222)
1488

>  <Formula> (1,222)
C22H26BrClN2O3S

>  <MolWeight> (1,222)
513.87544

>  <Item Name> (1,222)
Arbidol HCl

>  <Catalog Number> (1,222)
S2120

>  <Synonyms> (1,222)
N/A

>  <Target> (1,222)
Others

>  <Form> (1,222)
HCl

>  <URL> (1,222)
http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (1,222)
131707-23-8

$$$$
Levosimendan.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,223)
1492

>  <Formula> (1,223)
C14H12N6O

>  <MolWeight> (1,223)
280.28468

>  <Item Name> (1,223)
Levosimendan

>  <Catalog Number> (1,223)
S2446

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
Others

>  <Form> (1,223)
Free Base

>  <URL> (1,223)
http://www.selleckchem.com/products/levosimendan.html

>  <CAS Number> (1,223)
141505-33-1

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,224)
1493

>  <Formula> (1,224)
C24H30F2O6

>  <MolWeight> (1,224)
452.4882064

>  <Item Name> (1,224)
Fluocinolone acetonide (Flucort-N)

>  <Catalog Number> (1,224)
S2470

>  <Synonyms> (1,224)
Flucort-N

>  <Target> (1,224)
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>  <Form> (1,224)
Free Base

>  <URL> (1,224)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

>  <CAS Number> (1,224)
67-73-2

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,225)
1494

>  <Formula> (1,225)
C18H23Cl2NO

>  <MolWeight> (1,225)
340.28732

>  <Item Name> (1,225)
Phenoxybenzamine HCl

>  <Catalog Number> (1,225)
S2499

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
Androgen Receptor

>  <Form> (1,225)
HCl

>  <URL> (1,225)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

>  <CAS Number> (1,225)
63-92-3

$$$$
Propafenone.cdx
csChFnd80/02221609172D

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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,226)
1495

>  <Formula> (1,226)
C21H27NO3

>  <MolWeight> (1,226)
341.44398

>  <Item Name> (1,226)
Propafenone (Rytmonorm)

>  <Catalog Number> (1,226)
S2500

>  <Synonyms> (1,226)
Rythmol SR, Rytmonorm

>  <Target> (1,226)
Sodium Channel

>  <Form> (1,226)
Free Base

>  <URL> (1,226)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (1,226)
34183-22-7

$$$$
Roxithromycin.cdx
csChFnd80/02221609172D

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 36 30  1  1  0  0  0
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M  END
>  <Mol_ID> (1,227)
1496

>  <Formula> (1,227)
C41H76N2O15

>  <MolWeight> (1,227)
837.04654

>  <Item Name> (1,227)
Roxithromycin (Roxl-150)

>  <Catalog Number> (1,227)
S2506

>  <Synonyms> (1,227)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (1,227)
Others

>  <Form> (1,227)
Free Base

>  <URL> (1,227)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (1,227)
80214-83-1

$$$$
Tenoxicam.cdx
csChFnd80/02221609172D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,228)
1497

>  <Formula> (1,228)
C13H11N3O4S2

>  <MolWeight> (1,228)
337.37414

>  <Item Name> (1,228)
Tenoxicam(Mobiflex)

>  <Catalog Number> (1,228)
S2512

>  <Synonyms> (1,228)
Mobiflex

>  <Target> (1,228)
Others

>  <Form> (1,228)
Free Base

>  <URL> (1,228)
http://www.selleckchem.com/products/Tenoxicam(Mobiflex).html

>  <CAS Number> (1,228)
59804-37-4

$$$$
Sulbactam sodium.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,229)
1499

>  <Formula> (1,229)
C8H10NNaO5S

>  <MolWeight> (1,229)
255.22347

>  <Item Name> (1,229)
Sulbactam sodium (Unasyn)

>  <Catalog Number> (1,229)
S2551

>  <Synonyms> (1,229)
N/A

>  <Target> (1,229)
Others

>  <Form> (1,229)
Sodium

>  <URL> (1,229)
http://www.selleckchem.com/products/sulbactam-sodium-unasyn.html

>  <CAS Number> (1,229)
69388-84-7

$$$$
Xylometazoline hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,230)
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>  <Formula> (1,230)
C16H25ClN2

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280.8361

>  <Item Name> (1,230)
Xylometazoline HCl

>  <Catalog Number> (1,230)
S2576

>  <Synonyms> (1,230)
N/A

>  <Target> (1,230)
Others

>  <Form> (1,230)
HCl

>  <URL> (1,230)
http://www.selleckchem.com/products/xylometazoline-hcl.html

>  <CAS Number> (1,230)
1218-35-5

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,231)
1503

>  <Formula> (1,231)
C19H19N3O6

>  <MolWeight> (1,231)
385.37066

>  <Item Name> (1,231)
Nilvadipine (ARC029)

>  <Catalog Number> (1,231)
S2721

>  <Synonyms> (1,231)
N/A

>  <Target> (1,231)
Calcium Channel

>  <Form> (1,231)
Free Base

>  <URL> (1,231)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (1,231)
75530-68-6

$$$$
Carbazochrome sodium sulfonate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,232)
1505

>  <Formula> (1,232)
C10H11N4NaO5S

>  <MolWeight> (1,232)
322.27291

>  <Item Name> (1,232)
Carbazochrome sodium sulfonate

>  <Catalog Number> (1,232)
S3000

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
Others

>  <Form> (1,232)
Sodium

>  <URL> (1,232)
http://www.selleckchem.com/products/carbazochrome-sodium-sulfonate.html

>  <CAS Number> (1,232)
51460-26-5

$$$$
Zaltoprofen.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,233)
1508

>  <Formula> (1,233)
C17H14O3S

>  <MolWeight> (1,233)
298.35626

>  <Item Name> (1,233)
Zaltoprofen

>  <Catalog Number> (1,233)
S3008

>  <Synonyms> (1,233)
N/A

>  <Target> (1,233)
COX

>  <Form> (1,233)
Free Base

>  <URL> (1,233)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (1,233)
74711-43-6

$$$$
Pazopanib.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,234)
1509

>  <Formula> (1,234)
C21H23N7O2S

>  <MolWeight> (1,234)
437.51802

>  <Item Name> (1,234)
Pazopanib

>  <Catalog Number> (1,234)
S3012

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
VEGFR

>  <Form> (1,234)
Free Base

>  <URL> (1,234)
http://www.selleckchem.com/products/pazopanib.html

>  <CAS Number> (1,234)
444731-52-6

$$$$
amoxicillin.cdx
csChFnd80/02221609172D

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Amoxicillin (Amoxycillin)

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N/A

>  <Target> (1,235)
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Free Base

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http://www.selleckchem.com/products/amoxicillin-amoxycillin.html

>  <CAS Number> (1,235)
26787-78-0

$$$$
aspirin.cdx
csChFnd80/02221609172D

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Aspirin (Acetylsalicylic acid)

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S3017

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N/A

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Free Base

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http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

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50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/02221609172D

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C13H9F3N2O2

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Niflumic acid

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N/A

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GABA Receptor

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Free Base

>  <URL> (1,237)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (1,237)
4394-00-7

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/02221609172D

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Pim

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Free Base

>  <URL> (1,238)
http://www.selleckchem.com/products/smi-4a.html

>  <CAS Number> (1,238)
438190-29-5

$$$$
BIX01294 3HCl.cdx
csChFnd80/02221609172D

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BIX01294

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>  <Synonyms> (1,239)
N/A

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Methyltransferase

>  <Form> (1,239)
HCl

>  <URL> (1,239)
http://www.selleckchem.com/products/bix-01294.html

>  <CAS Number> (1,239)
1392399-03-9

$$$$
VE-821.cdx
csChFnd80/02221609172D

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VE-821

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N/A

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ATM/ATR

>  <Form> (1,240)
Free Base

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http://www.selleckchem.com/products/ve-821.html

>  <CAS Number> (1,240)
1232410-49-9

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/02221609172D

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>  <Formula> (1,241)
C25H35N3O6S

>  <MolWeight> (1,241)
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>  <Item Name> (1,241)
Amprenavir (Agenerase)

>  <Catalog Number> (1,241)
S1639

>  <Synonyms> (1,241)
Agenerase

>  <Target> (1,241)
HIV Protease

>  <Form> (1,241)
Free Base

>  <URL> (1,241)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (1,241)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/02221609172D

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>  <Formula> (1,242)
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>  <MolWeight> (1,242)
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>  <Item Name> (1,242)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (1,242)
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>  <Synonyms> (1,242)
Prezista, TMC114

>  <Target> (1,242)
HIV Protease

>  <Form> (1,242)
Ethanolate

>  <URL> (1,242)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (1,242)
635728-49-3

$$$$
Proparacaine hydrochloride.cdx
csChFnd80/02221609172D

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1518

>  <Formula> (1,243)
C16H27ClN2O3

>  <MolWeight> (1,243)
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>  <Item Name> (1,243)
Proparacaine HCl

>  <Catalog Number> (1,243)
S1828

>  <Synonyms> (1,243)
N/A

>  <Target> (1,243)
Sodium Channel

>  <Form> (1,243)
HCl

>  <URL> (1,243)
http://www.selleckchem.com/products/proparacaine-hcl.html

>  <CAS Number> (1,243)
5875-06-9

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/02221609172D

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79183-19-0

$$$$
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778270-11-4

$$$$
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csChFnd80/02221609172D

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196868-63-0

$$$$
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p53

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Free Base

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

>  <CAS Number> (1,252)
380315-80-0

$$$$
Pifithrin-¦Á.cdx
csChFnd80/02221609172D

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N/A

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p53

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HBr

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http://www.selleckchem.com/products/pifithrin-alpha.html

>  <CAS Number> (1,253)
63208-82-2

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/02221609172D

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>  <Formula> (1,254)
C23H30ClN7O6

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535.9806

>  <Item Name> (1,254)
CGS 21680 HCl

>  <Catalog Number> (1,254)
S2153

>  <Synonyms> (1,254)
N/A

>  <Target> (1,254)
5-alpha Reductase

>  <Form> (1,254)
HCl

>  <URL> (1,254)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

>  <CAS Number> (1,254)
124431-80-7

$$$$
Epiandrosterone.cdx
csChFnd80/02221609172D

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1534

>  <Formula> (1,255)
C19H30O2

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>  <Item Name> (1,255)
Epiandrosterone (3¦Â-androsterone)

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>  <Synonyms> (1,255)
N/A

>  <Target> (1,255)
Estrogen/progestogen Receptor

>  <Form> (1,255)
Free Base

>  <URL> (1,255)
http://www.selleckchem.com/products/epiandrosterone-3beta-androsterone.html

>  <CAS Number> (1,255)
481-29-8

$$$$
Cathepsin Inhibitor 1.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,256)
1535

>  <Formula> (1,256)
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>  <MolWeight> (1,256)
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>  <Item Name> (1,256)
Cathepsin Inhibitor 1

>  <Catalog Number> (1,256)
S2847

>  <Synonyms> (1,256)
N/A

>  <Target> (1,256)
Others

>  <Form> (1,256)
Free Base

>  <URL> (1,256)
http://www.selleckchem.com/products/cathepsin-Inhibitor-1.html

>  <CAS Number> (1,256)
225120-65-0

$$$$

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Losartan potassium

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S1359

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Cozaar

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RAAS

>  <Form> (1,257)
Potassium

>  <URL> (1,257)
http://www.selleckchem.com/products/losartan-potassium.html

>  <CAS Number> (1,257)
124750-99-8

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/02221609172D

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>  <Formula> (1,258)
C19H22F2N4O3

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Sparfloxacin

>  <Catalog Number> (1,258)
S1884

>  <Synonyms> (1,258)
N/A

>  <Target> (1,258)
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Free Base

>  <URL> (1,258)
http://www.selleckchem.com/products/sparfloxacin.html

>  <CAS Number> (1,258)
110871-86-8

$$$$
Tolnaftate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,259)
1538

>  <Formula> (1,259)
C19H17NOS

>  <MolWeight> (1,259)
307.40938

>  <Item Name> (1,259)
Tolnaftate

>  <Catalog Number> (1,259)
S2058

>  <Synonyms> (1,259)
N/A

>  <Target> (1,259)
Others

>  <Form> (1,259)
Free Base

>  <URL> (1,259)
http://www.selleckchem.com/products/tolnaftate.html

>  <CAS Number> (1,259)
2398-96-1

$$$$
Ozagrel hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,260)
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>  <Formula> (1,260)
C13H13ClN2O2

>  <MolWeight> (1,260)
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>  <Item Name> (1,260)
Ozagrel HCl 

>  <Catalog Number> (1,260)
S2067

>  <Synonyms> (1,260)
N/A

>  <Target> (1,260)
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>  <Form> (1,260)
HCl 

>  <URL> (1,260)
http://www.selleckchem.com/products/ozagrel-hydrochloride.html

>  <CAS Number> (1,260)
78712-43-3

$$$$
Arecoline hydrobromide.cdx
csChFnd80/02221609172D

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>  <Formula> (1,261)
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AChR

>  <Form> (1,261)
HBr

>  <URL> (1,261)
http://www.selleckchem.com/products/arecoline.html

>  <CAS Number> (1,261)
300-08-3 

$$$$
AG 18.cdx
csChFnd80/02221609172D

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1543

>  <Formula> (1,262)
C10H6N2O2

>  <MolWeight> (1,262)
186.16684

>  <Item Name> (1,262)
AG 18 (Tyrphostin 23)

>  <Catalog Number> (1,262)
S8009

>  <Synonyms> (1,262)
RG-50810

>  <Target> (1,262)
EGFR

>  <Form> (1,262)
Free Base

>  <URL> (1,262)
http://www.selleckchem.com/products/ag-18-tyrphostin-23.html

>  <CAS Number> (1,262)
118409-57-7

$$$$
OSI-906.cdx
csChFnd80/02221609172D

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2627-69-2

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66104-23-2

$$$$
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M  END
>  <Mol_ID> (1,279)
1563

>  <Formula> (1,279)
C26H32N8

>  <MolWeight> (1,279)
456.58588

>  <Item Name> (1,279)
PF-4981517

>  <Catalog Number> (1,279)
S2921

>  <Synonyms> (1,279)
PF-04981517

>  <Target> (1,279)
P450

>  <Form> (1,279)
Free Base

>  <URL> (1,279)
http://www.selleckchem.com/products/pf-4981517.html

>  <CAS Number> (1,279)
1390637-82-7

$$$$
Clindamycin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,280)
1564

>  <Formula> (1,280)
C18H33ClN2O5S

>  <MolWeight> (1,280)
424.98302

>  <Item Name> (1,280)
Clindamycin

>  <Catalog Number> (1,280)
S2830

>  <Synonyms> (1,280)
N/A

>  <Target> (1,280)
Others

>  <Form> (1,280)
Free Base

>  <URL> (1,280)
http://www.selleckchem.com/products/clindamycin.html

>  <CAS Number> (1,280)
18323-44-9

$$$$
PF-04171426.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,281)
1565

>  <Formula> (1,281)
C15H24N4O4

>  <MolWeight> (1,281)
324.37546

>  <Item Name> (1,281)
UK 383367

>  <Catalog Number> (1,281)
S2224

>  <Synonyms> (1,281)
UK-383367

>  <Target> (1,281)
Procollagen C Proteinase

>  <Form> (1,281)
Free Base

>  <URL> (1,281)
http://www.selleckchem.com/products/uk-383367.html

>  <CAS Number> (1,281)
348622-88-8

$$$$
PF-05208749.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,282)
1566

>  <Formula> (1,282)
C30H35ClN2O3

>  <MolWeight> (1,282)
507.0635

>  <Item Name> (1,282)
Bazedoxifene HCl

>  <Catalog Number> (1,282)
S2128

>  <Synonyms> (1,282)
PF-05208749 HCl

>  <Target> (1,282)
Estrogen/progestin receptor

>  <Form> (1,282)
Free Base

>  <URL> (1,282)
http://www.selleckchem.com/products/bazedoxifene-hcl.html

>  <CAS Number> (1,282)
198480-56-7

$$$$
PF-06405761.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,283)
1567

>  <Formula> (1,283)
C16H17N3O4S

>  <MolWeight> (1,283)
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>  <Item Name> (1,283)
PFI-1(PF-6405761) 

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>  <Form> (1,283)
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>  <URL> (1,283)
http://www.selleckchem.com/products/pfl-1.html

>  <CAS Number> (1,283)
1403764-72-6

$$$$
SL327.cdx
csChFnd80/02221609172D

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>  <URL> (1,284)
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>  <CAS Number> (1,284)
305350-87-2

$$$$
acebutolol hydrochloride.cdx
csChFnd80/02221609172D

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C18H29ClN2O4

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Acebutolol HCl

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S4010

>  <Synonyms> (1,285)
N/A

>  <Target> (1,285)
Adrenergic Receptor

>  <Form> (1,285)
HCl

>  <URL> (1,285)
http://www.selleckchem.com/products/acebutolol-hcl.html

>  <CAS Number> (1,285)
34381-68-5

$$$$
Ampiroxicam.cdx
csChFnd80/02221609172D

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COX

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Free Base

>  <URL> (1,286)
http://www.selleckchem.com/products/ampiroxicam.html

>  <CAS Number> (1,286)
99464-64-9

$$$$
Lithocholic acid.cdx
csChFnd80/02221609172D

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>  <Formula> (1,287)
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>  <Target> (1,287)
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>  <URL> (1,287)
http://www.selleckchem.com/products/lithocholic-acid.html

>  <CAS Number> (1,287)
434-13-9

$$$$
Mirabegron.cdx
csChFnd80/02221609172D

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$$$$
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csChFnd80/02221609172D

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TNF-alpha

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4311-88-0

$$$$
Avanafil.cdx
csChFnd80/02221609172D

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330784-47-9

$$$$
N-Methyl-D-aspartic acid£¨NMDA£©.cdx
csChFnd80/02221609172D

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6384-92-5

$$$$
BENEMID (probenecid).cdx
csChFnd80/02221609172D

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57-66-9

$$$$
procaine hydrochloride.cdx
csChFnd80/02221609172D

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51-05-8

$$$$
Sodium picosulfate.cdx
csChFnd80/02221609172D

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Sodium Picosulfate

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Sodium Picosulphate

>  <Target> (1,299)
Others

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Sodium Salt

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http://www.selleckchem.com/products/sodium-picosulfate.html

>  <CAS Number> (1,299)
10040-45-6

$$$$
Tolcapone.cdx
csChFnd80/02221609172D

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N/A

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Transferase

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Free Base

>  <URL> (1,300)
http://www.selleckchem.com/products/tolcapone.html

>  <CAS Number> (1,300)
134308-13-7

$$$$
JNK-IN-8.cdx
csChFnd80/02221609172D

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JNK-IN-8

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JNK

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http://www.selleckchem.com/products/jnk-in-8.html

>  <CAS Number> (1,301)
1410880-22-6

$$$$
methazolamide.cdx
csChFnd80/02221609172D

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Carbonic Anhydrase

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

>  <CAS Number> (1,302)
554-57-4

$$$$
QNZ.cdx
csChFnd80/02221609172D

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>  <CAS Number> (1,303)
545380-34-5

$$$$
SC-514.cdx
csChFnd80/02221609172D

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354812-17-2

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SN-38.cdx
csChFnd80/02221609172D

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86639-52-3

$$$$
JZL184.cdx
csChFnd80/02221609172D

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1101854-58-3

$$$$
Nabumetone.cdx
csChFnd80/02221609172D

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42924-53-8

$$$$
sertraline hydrochloride.cdx
csChFnd80/02221609172D

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$$$$
ABT-199.cdx
csChFnd80/02221609172D

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Bcl-2

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Free Base

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http://www.selleckchem.com/products/abt-199.html

>  <CAS Number> (1,309)
1257044-40-8

$$$$
Birinapant (TL32711).cdx
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N/A

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Caspase

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http://www.selleckchem.com/products/birinapant-tl32711.html

>  <CAS Number> (1,310)
1260251-31-7

$$$$
IWR-1(endo-IWR 1).cdx
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$$$$
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methyclothiazide.cdx
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135-07-9

$$$$
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M  END
>  <Mol_ID> (1,318)
1613

>  <Formula> (1,318)
C30H47NO4S

>  <MolWeight> (1,318)
517.76348

>  <Item Name> (1,318)
Retapamulin

>  <Catalog Number> (1,318)
S4056

>  <Synonyms> (1,318)
N/A

>  <Target> (1,318)
Others

>  <Form> (1,318)
Free Base

>  <URL> (1,318)
http://www.selleckchem.com/products/retapamulin.html

>  <CAS Number> (1,318)
224452-66-8

$$$$
ronidazole.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,319)
1614

>  <Formula> (1,319)
C6H8N4O4

>  <MolWeight> (1,319)
200.15212

>  <Item Name> (1,319)
Ronidazole

>  <Catalog Number> (1,319)
S4062

>  <Synonyms> (1,319)
N/A

>  <Target> (1,319)
Others

>  <Form> (1,319)
Free Base

>  <URL> (1,319)
http://www.selleckchem.com/products/ronidazole.html

>  <CAS Number> (1,319)
7681-76-7

$$$$
ropivacaine hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,320)
1615

>  <Formula> (1,320)
C17H27ClN2O

>  <MolWeight> (1,320)
310.86208

>  <Item Name> (1,320)
Ropivacaine HCl

>  <Catalog Number> (1,320)
S4058

>  <Synonyms> (1,320)
N/A

>  <Target> (1,320)
Others

>  <Form> (1,320)
HCl

>  <URL> (1,320)
http://www.selleckchem.com/products/ropivacaine-hcl.html

>  <CAS Number> (1,320)
98717-15-8

$$$$
Vitamin D3.cdx
csChFnd80/02221609172D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,321)
1616

>  <Formula> (1,321)
C27H44O

>  <MolWeight> (1,321)
384.63766

>  <Item Name> (1,321)
Vitamin D3 (Cholecalciferol)

>  <Catalog Number> (1,321)
S4063

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
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>  <Form> (1,321)
Free Base

>  <URL> (1,321)
http://www.selleckchem.com/products/vitamin-d3-cholecalciferol.html

>  <CAS Number> (1,321)
67-97-0

$$$$
Empagliflozin (BI10773).cdx
csChFnd80/02221609172D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,322)
1617

>  <Formula> (1,322)
C23H27ClO7

>  <MolWeight> (1,322)
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>  <Item Name> (1,322)
Empagliflozin (BI10773)

>  <Catalog Number> (1,322)
S8022

>  <Synonyms> (1,322)
N/A

>  <Target> (1,322)
SGLT

>  <Form> (1,322)
Free Base

>  <URL> (1,322)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

>  <CAS Number> (1,322)
864070-44-0

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/02221609172D

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 23 26  1  1  0  0  0
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 18 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,323)
1618

>  <Formula> (1,323)
C21H23N2NaO6S

>  <MolWeight> (1,323)
454.47189

>  <Item Name> (1,323)
Nafcillin Sodium

>  <Catalog Number> (1,323)
S4042

>  <Synonyms> (1,323)
N/A

>  <Target> (1,323)
Others

>  <Form> (1,323)
Free Base

>  <URL> (1,323)
http://www.selleckchem.com/products/nafcillin-sodium.html

>  <CAS Number> (1,323)
7177-50-6

$$$$
norethindrone.cdx
csChFnd80/02221609172D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  6  0  0  0
  5 12  1  1  0  0  0
  5 10  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  6  0  0  0
  9 15  1  0  0  0  0
 11 16  3  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
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 15 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,324)
1619

>  <Formula> (1,324)
C20H26O2

>  <MolWeight> (1,324)
298.41924

>  <Item Name> (1,324)
Norethindrone (Norethisterone)

>  <Catalog Number> (1,324)
S4040

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
Others

>  <Form> (1,324)
Free Base

>  <URL> (1,324)
http://www.selleckchem.com/products/norethindrone-norethisterone.html

>  <CAS Number> (1,324)
68-22-4

$$$$
olsalazine sodium.cdx
csChFnd80/02221609172D

 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
    3.4951    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3951    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    3.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    2.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.7879    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8806    4.9040    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   11.8830    2.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.1056    4.9583    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  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
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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
  6 15  1  0  0  0  0
  1 16  1  0  0  0  0
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 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,325)
1620

>  <Formula> (1,325)
C14H8N2Na2O6

>  <MolWeight> (1,325)
346.20266

>  <Item Name> (1,325)
Olsalazine Sodium

>  <Catalog Number> (1,325)
S4041

>  <Synonyms> (1,325)
N/A

>  <Target> (1,325)
Others

>  <Form> (1,325)
Free Base

>  <URL> (1,325)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (1,325)
6054-98-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/02221609172D

 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
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    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
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 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,326)
1621

>  <Formula> (1,326)
C13H17ClN2

>  <MolWeight> (1,326)
236.74048

>  <Item Name> (1,326)
Tetrahydrozoline HCl

>  <Catalog Number> (1,326)
S4043

>  <Synonyms> (1,326)
N/A

>  <Target> (1,326)
Adrenergic Receptor

>  <Form> (1,326)
Free Base

>  <URL> (1,326)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (1,326)
522-48-5

$$$$
Toltrazuril.cdx
csChFnd80/02221609172D

 29 31  0  0  0  0  0  0  0  0999 V2000
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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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   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
    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
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 14  8  1  0  0  0  0
  5 15  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,327)
1622

>  <Formula> (1,327)
C18H14F3N3O4S

>  <MolWeight> (1,327)
425.3816696

>  <Item Name> (1,327)
Toltrazuril

>  <Catalog Number> (1,327)
S4044

>  <Synonyms> (1,327)
N/A

>  <Target> (1,327)
Others

>  <Form> (1,327)
Free Base

>  <URL> (1,327)
http://www.selleckchem.com/products/toltrazuril.html

>  <CAS Number> (1,327)
69004-03-1

$$$$
Pentamidine hcl.cdx
csChFnd80/02221609172D

 27 26  0  0  0  0  0  0  0  0999 V2000
   22.5386    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3261    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5386    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7510    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1137    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3261    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9634    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7510    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1137    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9012    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6888    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4764    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2639    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8391    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6266    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    2.1000    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
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M  END
>  <Mol_ID> (1,328)
1623

>  <Formula> (1,328)
C19H26Cl2N4O2

>  <MolWeight> (1,328)
413.34134

>  <Item Name> (1,328)
Pentamidine HCl

>  <Catalog Number> (1,328)
S4007

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
Others

>  <Form> (1,328)
HCl

>  <URL> (1,328)
http://www.selleckchem.com/products/pentamidine.html

>  <CAS Number> (1,328)
50357-45-4

$$$$
Dibucaine HCL.cdx
csChFnd80/02221609172D

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    2.4324    5.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6486    4.5970    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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  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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  7 10  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,329)
1624

>  <Formula> (1,329)
C20H30ClN3O2

>  <MolWeight> (1,329)
379.9241

>  <Item Name> (1,329)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (1,329)
S4038

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
Sodium Channel

>  <Form> (1,329)
Free Base

>  <URL> (1,329)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (1,329)
61-12-1

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/02221609172D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.3913    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  6  1  0  0  0  0
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  3  8  1  0  0  0  0
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  4 10  2  0  0  0  0
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  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
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 10 16  1  0  0  0  0
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 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
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M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (1,330)
1625

>  <Formula> (1,330)
C21H27NO4S

>  <MolWeight> (1,330)
389.50838

>  <Item Name> (1,330)
Diphemanil Methylsulfate

>  <Catalog Number> (1,330)
S4034

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
AChR

>  <Form> (1,330)
Methylsulfate

>  <URL> (1,330)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (1,330)
62-97-5

$$$$
Doxapram HCl.cdx
csChFnd80/02221609172D

 30 31  0  0  0  0  0  0  0  0999 V2000
    8.2658    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4251    5.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
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  5  3  1  0  0  0  0
 13  3  1  0  0  0  0
 10  4  1  0  0  0  0
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 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20  9  2  0  0  0  0
 21  9  1  0  0  0  0
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 22 13  1  0  0  0  0
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 28 23  1  0  0  0  0
 27 24  2  0  0  0  0
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 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,331)
1626

>  <Formula> (1,331)
C24H33ClN2O3

>  <MolWeight> (1,331)
432.98342

>  <Item Name> (1,331)
Doxapram HCl

>  <Catalog Number> (1,331)
S4037

>  <Synonyms> (1,331)
N/A

>  <Target> (1,331)
Others

>  <Form> (1,331)
HCl

>  <URL> (1,331)
http://www.selleckchem.com/products/doxapram-hcl.html

>  <CAS Number> (1,331)
7081-53-0

$$$$
Vitamin D2.cdx
csChFnd80/02221609172D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,332)
1627

>  <Formula> (1,332)
C28H44O

>  <MolWeight> (1,332)
396.64836

>  <Item Name> (1,332)
Vitamin D2 (Ergocalciferol)

>  <Catalog Number> (1,332)
S4035

>  <Synonyms> (1,332)
N/A

>  <Target> (1,332)
Others

>  <Form> (1,332)
Free Base

>  <URL> (1,332)
http://www.selleckchem.com/products/vitamin-d2-ergocalciferol.html

>  <CAS Number> (1,332)
50-14-6

$$$$
(+)-JQ1.cdx
csChFnd80/02221609172D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,333)
1628

>  <Formula> (1,333)
C23H25ClN4O2S

>  <MolWeight> (1,333)
456.9882

>  <Item Name> (1,333)
(+)-JQ1

>  <Catalog Number> (1,333)
S7110

>  <Synonyms> (1,333)
N/A

>  <Target> (1,333)
BET

>  <Form> (1,333)
Free Base

>  <URL> (1,333)
http://www.selleckchem.com/products/jq1.html

>  <CAS Number> (1,333)
1268524-70-4

$$$$
Desvenlafaxine.cdx
csChFnd80/02221609172D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,334)
1630

>  <Formula> (1,334)
C16H25NO2

>  <MolWeight> (1,334)
263.3752

>  <Item Name> (1,334)
Desvenlafaxine

>  <Catalog Number> (1,334)
S4113

>  <Synonyms> (1,334)
O-desmethylvenlafaxine

>  <Target> (1,334)
5-HT Receptor

>  <Form> (1,334)
Free Base

>  <URL> (1,334)
http://www.selleckchem.com/products/desvenlafaxine.html

>  <CAS Number> (1,334)
93413-62-8

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/02221609172D

 27 27  0  0  0  0  0  0  0  0999 V2000
    6.5655    8.8983    0.0000 C   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
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,335)
1631

>  <Formula> (1,335)
C20H31NO6

>  <MolWeight> (1,335)
381.46324

>  <Item Name> (1,335)
Desvenlafaxine Succinate

>  <Catalog Number> (1,335)
S4112

>  <Synonyms> (1,335)
N/A

>  <Target> (1,335)
5-HT Receptor

>  <Form> (1,335)
Succinate

>  <URL> (1,335)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (1,335)
386750-22-7

$$$$
Dicloxacillin sodium.cdx
csChFnd80/02221609172D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4364    5.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2123    5.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578    5.1287    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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 28 29  2  0  0  0  0
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M  END
>  <Mol_ID> (1,336)
1632

>  <Formula> (1,336)
C19H18Cl2N3NaO6S

>  <MolWeight> (1,336)
510.32349

>  <Item Name> (1,336)
Dicloxacillin Sodium

>  <Catalog Number> (1,336)
S4111

>  <Synonyms> (1,336)
Diclocil

>  <Target> (1,336)
Others

>  <Form> (1,336)
Sodium Salt

>  <URL> (1,336)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (1,336)
13412-64-1

$$$$
Estradiol benzoate.cdx
csChFnd80/02221609172D

 31 35  0  0  0  0  0  0  0  0999 V2000
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C25H28O3

>  <MolWeight> (1,337)
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>  <Item Name> (1,337)
Estradiol Benzoate

>  <Catalog Number> (1,337)
S4110

>  <Synonyms> (1,337)
N/A

>  <Target> (1,337)
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>  <Form> (1,337)
Free Base

>  <URL> (1,337)
http://www.selleckchem.com/products/estradiol-benzoate.html

>  <CAS Number> (1,337)
50-50-0

$$$$
lorcaserin hydrochloride.cdx
csChFnd80/02221609172D

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1634

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C11H15Cl2N

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>  <Item Name> (1,338)
Lorcaserin HCl

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S4109

>  <Synonyms> (1,338)
APD-356

>  <Target> (1,338)
5-HT Receptor

>  <Form> (1,338)
HCl

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

>  <CAS Number> (1,338)
846589-98-8

$$$$
GSK J4 HCL.cdx
csChFnd80/02221609172D

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1635

>  <Formula> (1,339)
C24H28ClN5O2

>  <MolWeight> (1,339)
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>  <Item Name> (1,339)
GSK J4 HCl

>  <Catalog Number> (1,339)
S7070

>  <Synonyms> (1,339)
N/A

>  <Target> (1,339)
Others

>  <Form> (1,339)
HCl

>  <URL> (1,339)
http://www.selleckchem.com/products/gsk-j4-hcl.html

>  <CAS Number> (1,339)
1373423-53-0(free base)

$$$$
STATTIC.cdx
csChFnd80/02221609172D

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1636

>  <Formula> (1,340)
C8H5NO4S

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>  <Item Name> (1,340)
Stattic

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N/A

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STAT

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Free Base

>  <URL> (1,340)
http://www.selleckchem.com/products/stattic.html

>  <CAS Number> (1,340)
19983-44-9

$$$$
Tariquidar.cdx
csChFnd80/02221609172D

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Tariquidar

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S8028

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
P-gp

>  <Form> (1,341)
Free Base

>  <URL> (1,341)
http://www.selleckchem.com/products/tariquidar.html

>  <CAS Number> (1,341)
206873-63-4

$$$$
WY 14643.cdx
csChFnd80/02221609172D

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C14H14ClN3O2S

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WY 14643 (Pirinixic Acid)

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S8029

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
PPAR

>  <Form> (1,342)
Free Base

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http://www.selleckchem.com/products/wy-14643-pirinixic-acid.html

>  <CAS Number> (1,342)
50892-23-4

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/02221609172D

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>  <Formula> (1,343)
C20H21N3O2

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>  <Item Name> (1,343)
Tubastatin A

>  <Catalog Number> (1,343)
S8049

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N/A

>  <Target> (1,343)
HDAC

>  <Form> (1,343)
Free Base

>  <URL> (1,343)
http://www.selleckchem.com/products/tubastatin-a.html

>  <CAS Number> (1,343)
1252003-15-8

$$$$
Aminosalicylate sodium.cdx
csChFnd80/02221609172D

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C7H6NNaO3

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S4073

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PAS Sodium

>  <Target> (1,344)
NF-¦ÊB

>  <Form> (1,344)
Sodium

>  <URL> (1,344)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

>  <CAS Number> (1,344)
133-10-8

$$$$

csChFnd80/02221609172D

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>  <Formula> (1,345)
C16H14N2O3S

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Valdecoxib

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COX

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>  <CAS Number> (1,345)
181695-72-7

$$$$
Bisacodyl.cdx
csChFnd80/02221609172D

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>  <Target> (1,346)
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http://www.selleckchem.com/products/bisacodyl.html

>  <CAS Number> (1,346)
30652-11-0

$$$$
Carbimazole.cdx
csChFnd80/02221609172D

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  3  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,347)
1643

>  <Formula> (1,347)
C7H10N2O2S

>  <MolWeight> (1,347)
186.2315

>  <Item Name> (1,347)
Carbimazole

>  <Catalog Number> (1,347)
S4048

>  <Synonyms> (1,347)
N/A

>  <Target> (1,347)
Others

>  <Form> (1,347)
Free Base

>  <URL> (1,347)
http://www.selleckchem.com/products/carbimazole.html

>  <CAS Number> (1,347)
22232-54-8

$$$$
Decamethonium bromide.cdx
csChFnd80/02221609172D

 20 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.0725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.7725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.7617    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6493    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4491    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    2.9164    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.4259    0.2090    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,348)
1644

>  <Formula> (1,348)
C16H38Br2N2

>  <MolWeight> (1,348)
418.29432

>  <Item Name> (1,348)
Decamethonium Bromide

>  <Catalog Number> (1,348)
S4072

>  <Synonyms> (1,348)
Syncurine

>  <Target> (1,348)
AChR

>  <Form> (1,348)
Bromide

>  <URL> (1,348)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (1,348)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/02221609172D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2060    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8433    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2682    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2682    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0558    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4226    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0341    5.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0590    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3831    6.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7442    7.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3696    5.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7172    5.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0783    7.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3853    7.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3121    8.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9598    9.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1973    8.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  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
 17 18  1  1  0  0  0
 12 19  1  1  0  0  0
  9 20  1  1  0  0  0
 10 21  1  6  0  0  0
 11 22  1  6  0  0  0
  2 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,349)
1645

>  <Formula> (1,349)
C26H36O3

>  <MolWeight> (1,349)
396.56224

>  <Item Name> (1,349)
Estradiol Cypionate

>  <Catalog Number> (1,349)
S4046

>  <Synonyms> (1,349)
N/A

>  <Target> (1,349)
Estrogen/progestogen Receptor

>  <Form> (1,349)
Free Base

>  <URL> (1,349)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (1,349)
313-06-4

$$$$
Griseofulvin.cdx
csChFnd80/02221609172D

 24 26  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
    6.1728    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1485    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    1.5827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0957    1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7957    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1485    5.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4534    5.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222    6.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9981    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1909    2.7951    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
  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  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
  9 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  1  0  0  0
 12 24  2  0  0  0  0
  8  9  1  1  0  0  0
  8  7  1  6  0  0  0
M  END
>  <Mol_ID> (1,350)
1646

>  <Formula> (1,350)
C17H17ClO6

>  <MolWeight> (1,350)
352.76628

>  <Item Name> (1,350)
Griseofulvin

>  <Catalog Number> (1,350)
S4071

>  <Synonyms> (1,350)
N/A

>  <Target> (1,350)
Microtubule Associated

>  <Form> (1,350)
Free Base

>  <URL> (1,350)
http://www.selleckchem.com/products/griseofulvin.html

>  <CAS Number> (1,350)
126-07-8

$$$$
Guanidine HCl.cdx
csChFnd80/02221609172D

  5  3  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6677    1.6976    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
  2  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,351)
1647

>  <Formula> (1,351)
CH6ClN3

>  <MolWeight> (1,351)
95.53144

>  <Item Name> (1,351)
Guanidine (Aminoformamidine) HCl

>  <Catalog Number> (1,351)
S4070

>  <Synonyms> (1,351)
N/A

>  <Target> (1,351)
Others

>  <Form> (1,351)
HCl

>  <URL> (1,351)
http://www.selleckchem.com/products/guanidine-aminoformamidine-hcl.html

>  <CAS Number> (1,351)
50-01-1

$$$$
Mefenamic acid.cdx
csChFnd80/02221609172D

 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> (1,352)
1649

>  <Formula> (1,352)
C15H15NO2

>  <MolWeight> (1,352)
241.2851

>  <Item Name> (1,352)
Mefenamic Acid

>  <Catalog Number> (1,352)
S4078

>  <Synonyms> (1,352)
N/A

>  <Target> (1,352)
COX

>  <Form> (1,352)
Free Base

>  <URL> (1,352)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (1,352)
61-68-7

$$$$
Mequinol.cdx
csChFnd80/02221609172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 O   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
  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
M  END
>  <Mol_ID> (1,353)
1650

>  <Formula> (1,353)
C7H8O2

>  <MolWeight> (1,353)
124.13722

>  <Item Name> (1,353)
Mequinol

>  <Catalog Number> (1,353)
S4077

>  <Synonyms> (1,353)
N/A

>  <Target> (1,353)
Others

>  <Form> (1,353)
Free Base

>  <URL> (1,353)
http://www.selleckchem.com/products/mequinol.html

>  <CAS Number> (1,353)
150-76-5

$$$$
Propranolol HCl.cdx
csChFnd80/02221609172D

 20 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
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  8  9  1  0  0  0  0
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 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,354)
1651

>  <Formula> (1,354)
C16H22ClNO2

>  <MolWeight> (1,354)
295.80438

>  <Item Name> (1,354)
Propranolol HCl

>  <Catalog Number> (1,354)
S4076

>  <Synonyms> (1,354)
N/A

>  <Target> (1,354)
Adrenergic Receptor

>  <Form> (1,354)
HCl

>  <URL> (1,354)
http://www.selleckchem.com/products/propranolol-hcl.html

>  <CAS Number> (1,354)
318-98-9

$$$$
Sodium nitrite.cdx
csChFnd80/02221609172D

  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> (1,355)
1652

>  <Formula> (1,355)
NNaO2

>  <MolWeight> (1,355)
68.99527

>  <Item Name> (1,355)
Sodium Nitrite

>  <Catalog Number> (1,355)
S4074

>  <Synonyms> (1,355)
N/A

>  <Target> (1,355)
Others

>  <Form> (1,355)
Sodium Salt

>  <URL> (1,355)
http://www.selleckchem.com/products/sodium-nitrite.html

>  <CAS Number> (1,355)
7632-00-0

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/02221609172D

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   11.7965    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,356)
1654

>  <Formula> (1,356)
C14H25ClN6O5

>  <MolWeight> (1,356)
392.8385

>  <Item Name> (1,356)
Valganciclovir Hydrochloride

>  <Catalog Number> (1,356)
S4050

>  <Synonyms> (1,356)
N/A

>  <Target> (1,356)
Others

>  <Form> (1,356)
Hydrochloride

>  <URL> (1,356)
http://www.selleckchem.com/products/valganciclovir-hcl.html

>  <CAS Number> (1,356)
175865-59-5

$$$$
Escitalopram oxalate.cdx
csChFnd80/02221609172D

 30 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,357)
1656

>  <Formula> (1,357)
C22H23FN2O5

>  <MolWeight> (1,357)
414.4268232

>  <Item Name> (1,357)
Escitalopram Oxalate

>  <Catalog Number> (1,357)
S4064

>  <Synonyms> (1,357)
S-(+)-Citalopram Oxalate

>  <Target> (1,357)
5-HT Receptor

>  <Form> (1,357)
Oxalate

>  <URL> (1,357)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (1,357)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/02221609172D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    7.7805    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,358)
1657

>  <Formula> (1,358)
C10H12Cl2N4O2

>  <MolWeight> (1,358)
291.13388

>  <Item Name> (1,358)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (1,358)
S4065

>  <Synonyms> (1,358)
N/A

>  <Target> (1,358)
Adrenergic Receptor

>  <Form> (1,358)
Acetate

>  <URL> (1,358)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (1,358)
23256-50-0

$$$$
GW2580.cdx
csChFnd80/02221609172D

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M  END
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N/A

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CSF-1R

>  <Form> (1,359)
Free Base

>  <URL> (1,359)
http://www.selleckchem.com/products/gw2580.html

>  <CAS Number> (1,359)
870483-87-7

$$$$
tinidazole.cdx
csChFnd80/02221609172D

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Tinidazole

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S4068

>  <Synonyms> (1,360)
N/A

>  <Target> (1,360)
S4068

>  <Form> (1,360)
Free Base

>  <URL> (1,360)
http://www.selleckchem.com/products/tinidazole.html

>  <CAS Number> (1,360)
19387-91-8

$$$$
OCUSULF-10 (sulfacetamide sodium).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,361)
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>  <Formula> (1,361)
C8H9N2NaO3S

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Sulfacetamide Sodium

>  <Catalog Number> (1,361)
S4081

>  <Synonyms> (1,361)
N/A

>  <Target> (1,361)
Autophagy

>  <Form> (1,361)
Sodium

>  <URL> (1,361)
http://www.selleckchem.com/products/sulfacetamide-sodium.html

>  <CAS Number> (1,361)
127-56-0

$$$$
Ticagrelor.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,362)
1661

>  <Formula> (1,362)
C23H28F2N6O4S

>  <MolWeight> (1,362)
522.5680264

>  <Item Name> (1,362)
Ticagrelor

>  <Catalog Number> (1,362)
S4079

>  <Synonyms> (1,362)
AZD6140

>  <Target> (1,362)
P2 Receptor

>  <Form> (1,362)
Free Base

>  <URL> (1,362)
http://www.selleckchem.com/products/ticagrelor.html

>  <CAS Number> (1,362)
274693-27-5

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,363)
1662

>  <Formula> (1,363)
C12H11N7

>  <MolWeight> (1,363)
253.26264

>  <Item Name> (1,363)
Triamterene

>  <Catalog Number> (1,363)
S4080

>  <Synonyms> (1,363)
N/A

>  <Target> (1,363)
Sodium Channel

>  <Form> (1,363)
Free Base

>  <URL> (1,363)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (1,363)
396-01-0

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/02221609172D

 16 13  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,364)
1663

>  <Formula> (1,364)
C10H26Cl2N2O2

>  <MolWeight> (1,364)
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>  <Item Name> (1,364)
Ethambutol HCl

>  <Catalog Number> (1,364)
S4004

>  <Synonyms> (1,364)
N/A

>  <Target> (1,364)
Others

>  <Form> (1,364)
HCl

>  <URL> (1,364)
http://www.selleckchem.com/products/ethambutol-hcl.html

>  <CAS Number> (1,364)
1070-11-7

$$$$
EQUIPIN (homatropine methylbromide).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,365)
1664

>  <Formula> (1,365)
C17H24BrNO3

>  <MolWeight> (1,365)
370.28136

>  <Item Name> (1,365)
Homatropine Methylbromide

>  <Catalog Number> (1,365)
S4024

>  <Synonyms> (1,365)
N/A

>  <Target> (1,365)
AChR

>  <Form> (1,365)
Methylbromide

>  <URL> (1,365)
http://www.selleckchem.com/products/homatropine-methylbromide.html

>  <CAS Number> (1,365)
80-49-9

$$$$
Homatropine bromide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,366)
1665

>  <Formula> (1,366)
C16H22BrNO3

>  <MolWeight> (1,366)
356.25478

>  <Item Name> (1,366)
Homatropine Bromide

>  <Catalog Number> (1,366)
S4025

>  <Synonyms> (1,366)
N/A

>  <Target> (1,366)
AChR

>  <Form> (1,366)
Bromide

>  <URL> (1,366)
http://www.selleckchem.com/products/homatropine-bromide.html

>  <CAS Number> (1,366)
51-56-9

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,367)
1666

>  <Formula> (1,367)
C21H29Cl3N2O2

>  <MolWeight> (1,367)
447.82616

>  <Item Name> (1,367)
Hydroxyzine 2HCl

>  <Catalog Number> (1,367)
S4026

>  <Synonyms> (1,367)
N/A

>  <Target> (1,367)
Histamine Receptor

>  <Form> (1,367)
HCl

>  <URL> (1,367)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (1,367)
2192-20-3

$$$$
Flavoxate HCL.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,368)
1667

>  <Formula> (1,368)
C24H26ClNO4

>  <MolWeight> (1,368)
427.92054

>  <Item Name> (1,368)
Flavoxate HCl

>  <Catalog Number> (1,368)
S4027

>  <Synonyms> (1,368)
N/A

>  <Target> (1,368)
AChR

>  <Form> (1,368)
N/A

>  <URL> (1,368)
http://www.selleckchem.com/products/flavoxate-hcl.html

>  <CAS Number> (1,368)
3717-88-2

$$$$
Aclidinium bromide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,369)
1668

>  <Formula> (1,369)
C26H30BrNO4S2

>  <MolWeight> (1,369)
564.5547

>  <Item Name> (1,369)
Aclidinium Bromide

>  <Catalog Number> (1,369)
S4031

>  <Synonyms> (1,369)
N/A

>  <Target> (1,369)
AChR

>  <Form> (1,369)
Free Base

>  <URL> (1,369)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (1,369)
320345-99-1

$$$$
Butein.cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,370)
1669

>  <Formula> (1,370)
C15H12O5

>  <MolWeight> (1,370)
272.25278

>  <Item Name> (1,370)
Butein

>  <Catalog Number> (1,370)
S8036

>  <Synonyms> (1,370)
N/A

>  <Target> (1,370)
EGFR

>  <Form> (1,370)
Free Base

>  <URL> (1,370)
https://www.selleckchem.com/products/butein.html

>  <CAS Number> (1,370)
487-52-5

$$$$
Deoxyarbutin.cdx
csChFnd80/02221609172D

 14 15  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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 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,371)
1670

>  <Formula> (1,371)
C11H14O3

>  <MolWeight> (1,371)
194.22706

>  <Item Name> (1,371)
Deoxyarbutin

>  <Catalog Number> (1,371)
S4132

>  <Synonyms> (1,371)
D-arbutin

>  <Target> (1,371)
Others

>  <Form> (1,371)
Free Base

>  <URL> (1,371)
https://www.selleckchem.com/products/deoxyarbutin.html

>  <CAS Number> (1,371)
53936-56-4

$$$$
Histamine dihydrochloride.cdx
csChFnd80/02221609172D

 10  8  0  0  0  0  0  0  0  0999 V2000
    5.9466    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5217    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1623    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    6.5012    0.0000 Cl  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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M  END
>  <Mol_ID> (1,372)
1671

>  <Formula> (1,372)
C5H11Cl2N3

>  <MolWeight> (1,372)
184.06694

>  <Item Name> (1,372)
Histamine 2HCl

>  <Catalog Number> (1,372)
S4118

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
Histamine Receptor

>  <Form> (1,372)
HCl

>  <URL> (1,372)
https://www.selleckchem.com/products/histamine-2hcl.html

>  <CAS Number> (1,372)
56-92-8

$$$$
Levodropropizine.cdx
csChFnd80/02221609172D

 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
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (1,373)
1672

>  <Formula> (1,373)
C13H20N2O2

>  <MolWeight> (1,373)
236.3101

>  <Item Name> (1,373)
Levodropropizine

>  <Catalog Number> (1,373)
S4131

>  <Synonyms> (1,373)
N/A

>  <Target> (1,373)
Histamine Receptor

>  <Form> (1,373)
Free Base

>  <URL> (1,373)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (1,373)
99291-25-5

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/02221609172D

 31 30  0  0  0  0  0  0  0  0999 V2000
    7.2652    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4634    1.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,374)
1674

>  <Formula> (1,374)
C18H28FN3O8S

>  <MolWeight> (1,374)
465.4936232

>  <Item Name> (1,374)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (1,374)
S4119

>  <Synonyms> (1,374)
N/A

>  <Target> (1,374)
Topoisomerase

>  <Form> (1,374)
Mesylate

>  <URL> (1,374)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (1,374)
149676-40-4

$$$$
sodium phenylbutyrate.cdx
csChFnd80/02221609172D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,375)
1677

>  <Formula> (1,375)
C10H11NaO2

>  <MolWeight> (1,375)
186.18291

>  <Item Name> (1,375)
Sodium Phenylbutyrate

>  <Catalog Number> (1,375)
S4125

>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
HDAC

>  <Form> (1,375)
Free Base

>  <URL> (1,375)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (1,375)
1716-12-7

$$$$
Sulconazle Nitrate.cdx
csChFnd80/02221609172D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,376)
1679

>  <Formula> (1,376)
C18H16Cl3N3O3S

>  <MolWeight> (1,376)
460.76194

>  <Item Name> (1,376)
Sulconazole Nitrate

>  <Catalog Number> (1,376)
S4120

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
Others

>  <Form> (1,376)
Nitrate

>  <URL> (1,376)
https://www.selleckchem.com/products/sulconazole-nitrate.html

>  <CAS Number> (1,376)
82382-23-8

$$$$
Tilmicosin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,377)
1681

>  <Formula> (1,377)
C46H80N2O13

>  <MolWeight> (1,377)
869.133

>  <Item Name> (1,377)
Tilmicosin

>  <Catalog Number> (1,377)
S4122

>  <Synonyms> (1,377)
N/A

>  <Target> (1,377)
Others

>  <Form> (1,377)
Free Base

>  <URL> (1,377)
https://www.selleckchem.com/products/tilmicosin.html

>  <CAS Number> (1,377)
108050-54-0

$$$$
Timolol Maleate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,378)
1682

>  <Formula> (1,378)
C17H28N4O7S

>  <MolWeight> (1,378)
432.49182

>  <Item Name> (1,378)
Timolol Maleate

>  <Catalog Number> (1,378)
S4123

>  <Synonyms> (1,378)
N/A

>  <Target> (1,378)
Adrenergic Receptor

>  <Form> (1,378)
Maleate

>  <URL> (1,378)
https://www.selleckchem.com/products/timolol-maleate.html

>  <CAS Number> (1,378)
26921-17-5

$$$$
Tolazoline HCl.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,379)
1683

>  <Formula> (1,379)
C10H13ClN2

>  <MolWeight> (1,379)
196.67662

>  <Item Name> (1,379)
Tolazoline HCl

>  <Catalog Number> (1,379)
S4124

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
Adrenergic Receptor

>  <Form> (1,379)
Free Base

>  <URL> (1,379)
https://www.selleckchem.com/products/tolazoline-hcl.html

>  <CAS Number> (1,379)
59-97-2

$$$$
Troxipide.cdx
csChFnd80/02221609172D

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$$$$
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920113-03-7

$$$$
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$$$$
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M  END
>  <Mol_ID> (1,403)
1710

>  <Formula> (1,403)
C23H18Cl3FN4O3S

>  <MolWeight> (1,403)
555.8364232

>  <Item Name> (1,403)
CGK 733

>  <Catalog Number> (1,403)
S7136

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
ATM/ATR

>  <Form> (1,403)
Free Base

>  <URL> (1,403)
http://www.selleckchem.com/products/cgk-733.html

>  <CAS Number> (1,403)
905973-89-9

$$$$
Amprolium HCl.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,404)
1711

>  <Formula> (1,404)
C14H20Cl2N4

>  <MolWeight> (1,404)
315.2414

>  <Item Name> (1,404)
Amprolium HCl

>  <Catalog Number> (1,404)
S4144

>  <Synonyms> (1,404)
N/A

>  <Target> (1,404)
Others

>  <Form> (1,404)
HCl

>  <URL> (1,404)
http://www.selleckchem.com/products/amprolium-hcl.html

>  <CAS Number> (1,404)
137-88-2

$$$$
Bacitracin.cdx
csChFnd80/02221609172D

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>  <Formula> (1,405)
C65H101N17O16S

>  <MolWeight> (1,405)
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>  <Item Name> (1,405)
Bacitracin

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S4146

>  <Synonyms> (1,405)
N/A

>  <Target> (1,405)
Others

>  <Form> (1,405)
Free Base

>  <URL> (1,405)
http://www.selleckchem.com/products/bacitracin.html

>  <CAS Number> (1,405)
1405-87-4

$$$$
Cyclizine 2HCl.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,406)
1715

>  <Formula> (1,406)
C18H24Cl2N2

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Cyclizine 2HCl

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>  <Synonyms> (1,406)
N/A

>  <Target> (1,406)
Histamine Receptor

>  <Form> (1,406)
HCl

>  <URL> (1,406)
http://www.selleckchem.com/products/cyclizine-2hcl.html

>  <CAS Number> (1,406)
5897-18-7

$$$$
Dinitolmide.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,407)
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C8H7N3O5

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>  <Item Name> (1,407)
Dinitolmide (Zoalene)

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S4141

>  <Synonyms> (1,407)
N/A

>  <Target> (1,407)
Others

>  <Form> (1,407)
Free Base

>  <URL> (1,407)
http://www.selleckchem.com/products/dinitolmide-zoalene.html

>  <CAS Number> (1,407)
148-01-6

$$$$
LDK378.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,408)
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>  <Formula> (1,408)
C28H36ClN5O3S

>  <MolWeight> (1,408)
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>  <Item Name> (1,408)
Ceritinib (LDK378)

>  <Catalog Number> (1,408)
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>  <Synonyms> (1,408)
N/A

>  <Target> (1,408)
ALK

>  <Form> (1,408)
Free Base

>  <URL> (1,408)
http://www.selleckchem.com/products/ldk378.html

>  <CAS Number> (1,408)
1032900-25-6

$$$$
LY2835219.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,414)
1724

>  <Formula> (1,414)
C23H27N5

>  <MolWeight> (1,414)
373.49398

>  <Item Name> (1,414)
SANT-1

>  <Catalog Number> (1,414)
S7092

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
Smoothened

>  <Form> (1,414)
Free Base

>  <URL> (1,414)
http://www.selleckchem.com/products/sant-1.html

>  <CAS Number> (1,414)
304909-07-7

$$$$
1-Hexadecanol.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,415)
1725

>  <Formula> (1,415)
C16H34O

>  <MolWeight> (1,415)
242.44056

>  <Item Name> (1,415)
1-Hexadecanol

>  <Catalog Number> (1,415)
S4173

>  <Target> (1,415)
Others

>  <Form> (1,415)
Free Base

>  <URL> (1,415)
http://www.selleckchem.com/products/1-hexadecanol.html

>  <CAS Number> (1,415)
36653-82-4

$$$$
Amfenac Sodium£¨monohydrate£©.cdx
csChFnd80/02221609172D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,416)
1726

>  <Formula> (1,416)
C15H14NNaO4

>  <MolWeight> (1,416)
295.26573

>  <Item Name> (1,416)
Amfenac Sodium (monohydrate)

>  <Catalog Number> (1,416)
S4149

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
Others

>  <Form> (1,416)
Free Base

>  <URL> (1,416)
http://www.selleckchem.com/products/amfenac-sodium-monohydrate.html

>  <CAS Number> (1,416)
61618-27-7

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/02221609172D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,417)
1727

>  <Formula> (1,417)
C19H24ClN3O

>  <MolWeight> (1,417)
345.86636

>  <Item Name> (1,417)
Benzydamine Hydrochloride

>  <Catalog Number> (1,417)
S4165

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
Others

>  <Form> (1,417)
HCl

>  <URL> (1,417)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (1,417)
132-69-4

$$$$
Betamipron.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,418)
1728

>  <Formula> (1,418)
C10H11NO3

>  <MolWeight> (1,418)
193.19924

>  <Item Name> (1,418)
Betamipron

>  <Catalog Number> (1,418)
S4191

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
Others

>  <Form> (1,418)
Free Base

>  <URL> (1,418)
http://www.selleckchem.com/products/betamipron.html

>  <CAS Number> (1,418)
3440-28-6

$$$$
RIMADYL (carprofen).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,419)
1729

>  <Formula> (1,419)
C15H12ClNO2

>  <MolWeight> (1,419)
273.71428

>  <Item Name> (1,419)
Carprofen

>  <Catalog Number> (1,419)
S4136

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
Others

>  <Form> (1,419)
Free Base

>  <URL> (1,419)
http://www.selleckchem.com/products/carprofen.html

>  <CAS Number> (1,419)
53716-49-7

$$$$
Cetylpyridinium chloride.cdx
csChFnd80/02221609172D

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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,420)
1731

>  <Formula> (1,420)
C21H38ClN

>  <MolWeight> (1,420)
339.98612

>  <Item Name> (1,420)
Cetylpyridinium Chloride

>  <Catalog Number> (1,420)
S4172

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
Others

>  <Form> (1,420)
Chloride

>  <URL> (1,420)
http://www.selleckchem.com/products/cetylpyridinium-chloride.html

>  <CAS Number> (1,420)
123-03-5

$$$$
Chlorpropamide.cdx
csChFnd80/02221609172D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,421)
1733

>  <Formula> (1,421)
C10H13ClN2O3S

>  <MolWeight> (1,421)
276.73982

>  <Item Name> (1,421)
Chlorpropamide

>  <Catalog Number> (1,421)
S4166

>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
Others

>  <Form> (1,421)
Free Base

>  <URL> (1,421)
http://www.selleckchem.com/products/chlorpropamide.html

>  <CAS Number> (1,421)
94-20-2

$$$$
Chlorquinaldol.cdx
csChFnd80/02221609172D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 N   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
    1.2124    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    3.5000    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
    6.0622    3.5000    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    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    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
    7.2746    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  8 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,422)
1734

>  <Formula> (1,422)
C10H7Cl2NO

>  <MolWeight> (1,422)
228.07468

>  <Item Name> (1,422)
Chlorquinaldol

>  <Catalog Number> (1,422)
S4192

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
Others

>  <Form> (1,422)
Free Base

>  <URL> (1,422)
http://www.selleckchem.com/products/chlorquinaldol.html

>  <CAS Number> (1,422)
72-80-0

$$$$
Chlorzoxazone.cdx
csChFnd80/02221609172D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6210    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6184    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    2.5181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4284    2.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7780    1.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1780    1.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7803    0.0000 Cl  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
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  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,423)
1736

>  <Formula> (1,423)
C7H4ClNO2

>  <MolWeight> (1,423)
169.56516

>  <Item Name> (1,423)
Chlorzoxazone

>  <Catalog Number> (1,423)
S4155

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
Others

>  <Form> (1,423)
Free Base

>  <URL> (1,423)
http://www.selleckchem.com/products/chlorzoxazone.html

>  <CAS Number> (1,423)
95-25-0

$$$$
Choline Chloride.cdx
csChFnd80/02221609172D

  8  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5426    3.7853    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,424)
1738

>  <Formula> (1,424)
C5H14ClNO

>  <MolWeight> (1,424)
139.62376

>  <Item Name> (1,424)
Choline Chloride

>  <Catalog Number> (1,424)
S4171

>  <Synonyms> (1,424)
N/A

>  <Target> (1,424)
Others

>  <Form> (1,424)
Chloride

>  <URL> (1,424)
http://www.selleckchem.com/products/choline-chloride.html

>  <CAS Number> (1,424)
67-48-1

$$$$
Cinchophen.cdx
csChFnd80/02221609172D

 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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    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,425)
1739

>  <Formula> (1,425)
C16H11NO2

>  <MolWeight> (1,425)
249.26404

>  <Item Name> (1,425)
Cinchophen

>  <Catalog Number> (1,425)
S4190

>  <Synonyms> (1,425)
N/A

>  <Target> (1,425)
Others

>  <Form> (1,425)
Free Base

>  <URL> (1,425)
http://www.selleckchem.com/products/cinchophen.html

>  <CAS Number> (1,425)
132-60-5

$$$$
Climbazole.cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.3106    3.6339    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7099    3.6339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    4.8469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6117    2.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5355    2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5240    4.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    4.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    1.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    2.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687    4.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5078    6.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    2.1113    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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  5 10  2  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
 10 11  1  0  0  0  0
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 13 15  2  0  0  0  0
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 16 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,426)
1740

>  <Formula> (1,426)
C15H17ClN2O2

>  <MolWeight> (1,426)
292.76068

>  <Item Name> (1,426)
Climbazole

>  <Catalog Number> (1,426)
S4178

>  <Synonyms> (1,426)
N/A

>  <Target> (1,426)
Others

>  <Form> (1,426)
Free Base

>  <URL> (1,426)
http://www.selleckchem.com/products/climbazole.html

>  <CAS Number> (1,426)
38083-17-9

$$$$
Clofazimine.cdx
csChFnd80/02221609172D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.6445    5.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    4.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    5.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    8.4052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,427)
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>  <Formula> (1,427)
C27H22Cl2N4

>  <MolWeight> (1,427)
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>  <Item Name> (1,427)
Clofazimine

>  <Catalog Number> (1,427)
S4107

>  <Synonyms> (1,427)
N/A

>  <Target> (1,427)
Others

>  <Form> (1,427)
Free Base

>  <URL> (1,427)
http://www.selleckchem.com/products/clofazimine.html

>  <CAS Number> (1,427)
2030-63-9

$$$$
Clorprenaline HCl.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,428)
1742

>  <Formula> (1,428)
C11H17Cl2NO

>  <MolWeight> (1,428)
250.16478

>  <Item Name> (1,428)
Clorprenaline HCL

>  <Catalog Number> (1,428)
S4135

>  <Synonyms> (1,428)
N/A

>  <Target> (1,428)
Others

>  <Form> (1,428)
HCL

>  <URL> (1,428)
http://www.selleckchem.com/products/clorprenaline-hcl.html

>  <CAS Number> (1,428)
6933-90-0

$$$$
Closantel.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,429)
1743

>  <Formula> (1,429)
C22H14Cl2I2N2O2

>  <MolWeight> (1,429)
663.0737

>  <Item Name> (1,429)
Closantel

>  <Catalog Number> (1,429)
S4106

>  <Synonyms> (1,429)
N/A

>  <Target> (1,429)
Others

>  <Form> (1,429)
Free Base

>  <URL> (1,429)
http://www.selleckchem.com/products/closantel.html

>  <CAS Number> (1,429)
57808-65-8

$$$$
Closantel sodium.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,430)
1744

>  <Formula> (1,430)
C22H13Cl2I2N2NaO2

>  <MolWeight> (1,430)
685.05553

>  <Item Name> (1,430)
Closantel Sodium

>  <Catalog Number> (1,430)
S4105

>  <Synonyms> (1,430)
N/A

>  <Target> (1,430)
Others

>  <Form> (1,430)
Free Base

>  <URL> (1,430)
http://www.selleckchem.com/products/closantel-sodium.html

>  <CAS Number> (1,430)
61438-64-0

$$$$
Coumarin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,431)
1745

>  <Formula> (1,431)
C9H6O2

>  <MolWeight> (1,431)
146.14274

>  <Item Name> (1,431)
Coumarin

>  <Catalog Number> (1,431)
S4170

>  <Synonyms> (1,431)
N/A

>  <Target> (1,431)
Others

>  <Form> (1,431)
Free Base

>  <URL> (1,431)
http://www.selleckchem.com/products/coumarin.html

>  <CAS Number> (1,431)
91-64-5

$$$$
Cyclandelate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,432)
1746

>  <Formula> (1,432)
C17H24O3

>  <MolWeight> (1,432)
276.37066

>  <Item Name> (1,432)
Cyclandelate

>  <Catalog Number> (1,432)
S4189

>  <Target> (1,432)
Others

>  <Form> (1,432)
Free Base

>  <URL> (1,432)
http://www.selleckchem.com/products/cyclandelate.html

>  <CAS Number> (1,432)
456-59-7

$$$$
Cyromazine.cdx
csChFnd80/02221609172D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,433)
1747

>  <Formula> (1,433)
C6H10N6

>  <MolWeight> (1,433)
166.1838

>  <Item Name> (1,433)
Cyromazine

>  <Catalog Number> (1,433)
S4167

>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
Others

>  <Form> (1,433)
Free base

>  <URL> (1,433)
http://www.selleckchem.com/products/cyromazine.html

>  <CAS Number> (1,433)
66215-27-8

$$$$
Dexlansoprazole.cdx
csChFnd80/02221609172D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8323    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0443    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,434)
1748

>  <Formula> (1,434)
C16H14F3N3O2S

>  <MolWeight> (1,434)
369.3614696

>  <Item Name> (1,434)
Dexlansoprazole

>  <Catalog Number> (1,434)
S4099

>  <Synonyms> (1,434)
N/A

>  <Target> (1,434)
Others

>  <Form> (1,434)
Free Base

>  <URL> (1,434)
http://www.selleckchem.com/products/dexlansoprazole.html

>  <CAS Number> (1,434)
138530-94-6

$$$$
Doxofylline.cdx
csChFnd80/02221609172D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    4.9646    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,435)
1749

>  <Formula> (1,435)
C11H14N4O4

>  <MolWeight> (1,435)
266.25326

>  <Item Name> (1,435)
Doxofylline

>  <Catalog Number> (1,435)
S4164

>  <Synonyms> (1,435)
N/A

>  <Target> (1,435)
Others

>  <Form> (1,435)
Free Base

>  <URL> (1,435)
http://www.selleckchem.com/products/doxofylline.html

>  <CAS Number> (1,435)
69975-86-6

$$$$
Dropropizine.cdx
csChFnd80/02221609172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.2124    0.0000 N   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
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    2.1000    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
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2124    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
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M  END
>  <Mol_ID> (1,436)
1750

>  <Formula> (1,436)
C13H20N2O2

>  <MolWeight> (1,436)
236.3101

>  <Item Name> (1,436)
Dropropizine

>  <Catalog Number> (1,436)
S4138

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
Others

>  <Form> (1,436)
Free Base

>  <URL> (1,436)
http://www.selleckchem.com/products/dropropizine.html

>  <CAS Number> (1,436)
17692-31-8

$$$$
Ethamsylate.cdx
csChFnd80/02221609172D

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    3.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    1.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6547    3.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2278    4.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    1.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9093    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,437)
1752

>  <Formula> (1,437)
C10H17NO5S

>  <MolWeight> (1,437)
263.31068

>  <Item Name> (1,437)
Ethamsylate

>  <Catalog Number> (1,437)
S4152

>  <Synonyms> (1,437)
N/A

>  <Target> (1,437)
Others

>  <Form> (1,437)
Free Base

>  <URL> (1,437)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (1,437)
2624-44-4

$$$$
isovaleramide.cdx
csChFnd80/02221609172D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,438)
1754

>  <Formula> (1,438)
C5H11NO

>  <MolWeight> (1,438)
101.14694

>  <Item Name> (1,438)
Isovaleramide

>  <Catalog Number> (1,438)
S4116

>  <Synonyms> (1,438)
N/A

>  <Target> (1,438)
Others

>  <Form> (1,438)
Free Base

>  <URL> (1,438)
http://www.selleckchem.com/products/isovaleramide.html

>  <CAS Number> (1,438)
541-46-8

$$$$
Mezlocillin sodium.cdx
csChFnd80/02221609172D

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.5580    8.5059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8524    7.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2499    6.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7723    9.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9493    5.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505    4.5682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3498    3.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    3.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507    2.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,439)
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>  <Formula> (1,439)
C21H24N5NaO8S2

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Mezlocillin Sodium

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S4179

>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
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>  <Form> (1,439)
Sodium

>  <URL> (1,439)
http://www.selleckchem.com/products/mezlocillin-sodium.html

>  <CAS Number> (1,439)
42057-22-7

$$$$
nifuroxazide.cdx
csChFnd80/02221609172D

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>  <Formula> (1,440)
C12H9N3O5

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Nifuroxazide

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>  <Synonyms> (1,440)
N/A

>  <Target> (1,440)
Others

>  <Form> (1,440)
Free Base

>  <URL> (1,440)
http://www.selleckchem.com/products/nifuroxazide.html

>  <CAS Number> (1,440)
965-52-6

$$$$
Penciclovir.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,441)
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>  <Formula> (1,441)
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Penciclovir

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S4184

>  <Synonyms> (1,441)
N/A

>  <Target> (1,441)
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>  <Form> (1,441)
Free Base

>  <URL> (1,441)
http://www.selleckchem.com/products/penciclovir.html

>  <CAS Number> (1,441)
39809-25-1

$$$$
penfluridol.cdx
csChFnd80/02221609172D

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>  <Formula> (1,442)
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>  <MolWeight> (1,442)
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Penfluridol

>  <Catalog Number> (1,442)
S4151

>  <Target> (1,442)
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>  <Form> (1,442)
Free Base

>  <URL> (1,442)
http://www.selleckchem.com/products/penfluridol.html

>  <CAS Number> (1,442)
26864-56-2

$$$$
Salicylanilide.cdx
csChFnd80/02221609172D

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>  <Formula> (1,443)
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S4187

>  <Synonyms> (1,443)
N/A

>  <Target> (1,443)
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>  <Form> (1,443)
Free Base

>  <URL> (1,443)
http://www.selleckchem.com/products/salicylanilide.html

>  <CAS Number> (1,443)
87-17-2

$$$$
Sasapyrine.cdx
csChFnd80/02221609172D

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>  <Item Name> (1,444)
Sasapyrine

>  <Catalog Number> (1,444)
S4188

>  <Synonyms> (1,444)
N/A

>  <Target> (1,444)
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>  <Form> (1,444)
Free Base

>  <URL> (1,444)
http://www.selleckchem.com/products/sasapyrine.html

>  <CAS Number> (1,444)
552-94-3

$$$$
Sulfaguanidine.cdx
csChFnd80/02221609172D

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Free Base

>  <URL> (1,445)
http://www.selleckchem.com/products/sulfaguanidine.html

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57-67-0

$$$$
tiratricol.cdx
csChFnd80/02221609172D

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Free Base

>  <URL> (1,446)
http://www.selleckchem.com/products/tiratricol.html

>  <CAS Number> (1,446)
51-24-1

$$$$
triclabendazole.cdx
csChFnd80/02221609172D

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>  <Formula> (1,447)
C14H9Cl3N2OS

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>  <Target> (1,447)
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Free Base

>  <URL> (1,447)
http://www.selleckchem.com/products/triclabendazole.html

>  <CAS Number> (1,447)
68786-66-3

$$$$
Trometamol.cdx
csChFnd80/02221609172D

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>  <Formula> (1,448)
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http://www.selleckchem.com/products/trometamol.html

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77-86-1

$$$$
Uracil.cdx
csChFnd80/02221609172D

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Free Base

>  <URL> (1,449)
http://www.selleckchem.com/products/uracil.html

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66-22-8

$$$$
CNX-2006.cdx
csChFnd80/02221609172D

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Wnt/beta-catenin

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1243243-89-1

$$$$
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>  <CAS Number> (1,460)
864814-88-0

$$$$
Aminothiazole.cdx
csChFnd80/02221609172D

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96-50-4

$$$$
Antazoline HCl.cdx
csChFnd80/02221609172D

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

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2508-72-7

$$$$
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csChFnd80/02221609172D

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134-58-7

$$$$
Bemegride.cdx
csChFnd80/02221609172D

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64-65-3

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Bergapten.cdx
csChFnd80/02221609172D

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484-20-8

$$$$
Broxyquinoline.cdx
csChFnd80/02221609172D

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

>  <CAS Number> (1,466)
521-74-4

$$$$
Cepharanthine.cdx
csChFnd80/02221609172D

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C37H38N2O6

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>  <Item Name> (1,467)
Cepharanthine

>  <Catalog Number> (1,467)
S4238

>  <Synonyms> (1,467)
N/A

>  <Target> (1,467)
Others

>  <Form> (1,467)
Free Base

>  <URL> (1,467)
http://www.selleckchem.com/products/cepharanthine.html

>  <CAS Number> (1,467)
481-49-2

$$$$
Deoxycorticosterone acetate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,468)
1791

>  <Formula> (1,468)
C23H32O4

>  <MolWeight> (1,468)
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>  <Item Name> (1,468)
Deoxycorticosterone acetate

>  <Catalog Number> (1,468)
S4243

>  <Synonyms> (1,468)
N/A

>  <Target> (1,468)
Others

>  <Form> (1,468)
Free Base

>  <URL> (1,468)
http://www.selleckchem.com/products/deoxycorticosterone-acetate.html

>  <CAS Number> (1,468)
56-47-3

$$$$
dirithromycin.cdx
csChFnd80/02221609172D

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 50 21  1  0  0  0  0
 50 51  1  6  0  0  0
 20 52  1  6  0  0  0
 25 28  1  6  0  0  0
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 40 54  1  6  0  0  0
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 38 36  1  1  0  0  0
 27 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END
>  <Mol_ID> (1,469)
1792

>  <Formula> (1,469)
C42H78N2O14

>  <MolWeight> (1,469)
835.07372

>  <Item Name> (1,469)
Dirithromycin

>  <Catalog Number> (1,469)
S4213

>  <Synonyms> (1,469)
N/A

>  <Target> (1,469)
Others

>  <Form> (1,469)
Free Base

>  <URL> (1,469)
http://www.selleckchem.com/products/dirithromycin.html

>  <CAS Number> (1,469)
62013-04-1

$$$$
domiphen bromide.cdx
csChFnd80/02221609172D

 25 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5722    3.4537    0.0000 Br  0  5  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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  4  5  1  0  0  0  0
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  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
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,470)
1793

>  <Formula> (1,470)
C22H40BrNO

>  <MolWeight> (1,470)
414.4631

>  <Item Name> (1,470)
Domiphen Bromide

>  <Catalog Number> (1,470)
S4186

>  <Synonyms> (1,470)
N/A

>  <Target> (1,470)
Others

>  <Form> (1,470)
Free Base

>  <URL> (1,470)
http://www.selleckchem.com/products/domiphen-bromide.html

>  <CAS Number> (1,470)
538-71-6

$$$$
Doxylamine succinate.cdx
csChFnd80/02221609172D

 28 28  0  0  0  0  0  0  0  0999 V2000
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    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
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   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
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  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
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 18 20  1  0  0  0  0
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 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,471)
1794

>  <Formula> (1,471)
C21H28N2O5

>  <MolWeight> (1,471)
388.45742

>  <Item Name> (1,471)
Doxylamine Succinate

>  <Catalog Number> (1,471)
S4240

>  <Synonyms> (1,471)
N/A

>  <Target> (1,471)
Others

>  <Form> (1,471)
Succinate

>  <URL> (1,471)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (1,471)
562-10-7

$$$$
Ethacridine lactate monohydrate.cdx
csChFnd80/02221609172D

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2082   12.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   11.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   11.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   12.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   13.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.8354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   11.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (1,472)
1796

>  <Formula> (1,472)
C18H23N3O5

>  <MolWeight> (1,472)
361.39232

>  <Item Name> (1,472)
Ethacridine lactate monohydrate

>  <Catalog Number> (1,472)
S4196

>  <Synonyms> (1,472)
N/A

>  <Target> (1,472)
Others

>  <Form> (1,472)
Lactate

>  <URL> (1,472)
http://www.selleckchem.com/products/ethacridine-lactate-monohydrate.html

>  <CAS Number> (1,472)
6402-23-9

$$$$
Florfenicol.cdx
csChFnd80/02221609172D

 21 21  0  0  0  0  0  0  0  0999 V2000
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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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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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  9 16  1  1  0  0  0
  8 18  1  6  0  0  0
  7 19  1  0  0  0  0
  7 20  2  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,473)
1797

>  <Formula> (1,473)
C12H14Cl2FNO4S

>  <MolWeight> (1,473)
358.2132632

>  <Item Name> (1,473)
Florfenicol

>  <Catalog Number> (1,473)
S4201

>  <Synonyms> (1,473)
N/A

>  <Target> (1,473)
Others

>  <Form> (1,473)
Free Base

>  <URL> (1,473)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (1,473)
73231-34-2

$$$$
Furaltadone HCl.cdx
csChFnd80/02221609172D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.9579    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5670    1.5656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9364    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5039    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5069    3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819    4.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8846    3.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1237    3.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8867    5.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    5.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3749    3.2355    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,474)
1798

>  <Formula> (1,474)
C13H17ClN4O6

>  <MolWeight> (1,474)
360.75028

>  <Item Name> (1,474)
Furaltadone HCl

>  <Catalog Number> (1,474)
S4203

>  <Synonyms> (1,474)
N/A

>  <Target> (1,474)
Others

>  <Form> (1,474)
HCl

>  <URL> (1,474)
http://www.selleckchem.com/products/furaltadone-hcl.html

>  <CAS Number> (1,474)
3759-92-0

$$$$
Nicardipine hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,475)
1800

>  <Formula> (1,475)
C26H30ClN3O6

>  <MolWeight> (1,475)
515.9859

>  <Item Name> (1,475)
Nicardipine HCl

>  <Catalog Number> (1,475)
S4181

>  <Synonyms> (1,475)
N/A

>  <Target> (1,475)
Others

>  <Form> (1,475)
HCl

>  <URL> (1,475)
http://www.selleckchem.com/products/nicardipine-hcl.html

>  <CAS Number> (1,475)
54527-84-3

$$$$
NLG-919.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,476)
1801

>  <Formula> (1,476)
C18H22N2O

>  <MolWeight> (1,476)
282.38008

>  <Item Name> (1,476)
NLG919

>  <Catalog Number> (1,476)
S7111

>  <Synonyms> (1,476)
N/A

>  <Target> (1,476)
IDO

>  <Form> (1,476)
Free Base

>  <URL> (1,476)
http://www.selleckchem.com/products/nlg919.html

>  <CAS Number> (1,476)
1402836-58-1

$$$$
Phenazopyridine hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,477)
1803

>  <Formula> (1,477)
C11H12ClN5

>  <MolWeight> (1,477)
249.69948

>  <Item Name> (1,477)
Phenazopyridine HCl

>  <Catalog Number> (1,477)
S4235

>  <Synonyms> (1,477)
N/A

>  <Target> (1,477)
Others

>  <Form> (1,477)
HCl

>  <URL> (1,477)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,477)
136-40-3

$$$$
Serotonin hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,478)
1805

>  <Formula> (1,478)
C10H13ClN2O

>  <MolWeight> (1,478)
212.67602

>  <Item Name> (1,478)
Serotonin HCl

>  <Catalog Number> (1,478)
S4244

>  <Synonyms> (1,478)
N/A

>  <Target> (1,478)
Others

>  <Form> (1,478)
HCl

>  <URL> (1,478)
http://www.selleckchem.com/products/serotonin-hcl.html

>  <CAS Number> (1,478)
153-98-0

$$$$
Sodium ascorbate.cdx
csChFnd80/02221609172D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,479)
1806

>  <Formula> (1,479)
C6H10NaO6

>  <MolWeight> (1,479)
201.12977

>  <Item Name> (1,479)
Sodium ascorbate

>  <Catalog Number> (1,479)
S4245

>  <Synonyms> (1,479)
N/A

>  <Target> (1,479)
Others

>  <Form> (1,479)
Sodium Salt

>  <URL> (1,479)
http://www.selleckchem.com/products/sodium-ascorbate.html

>  <CAS Number> (1,479)
134-03-2

$$$$
sucralose.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,480)
1807

>  <Formula> (1,480)
C12H19Cl3O8

>  <MolWeight> (1,480)
397.63346

>  <Item Name> (1,480)
Sucralose

>  <Catalog Number> (1,480)
S4214

>  <Synonyms> (1,480)
N/A

>  <Target> (1,480)
Others

>  <Form> (1,480)
Free Base

>  <URL> (1,480)
http://www.selleckchem.com/products/sucralose.html

>  <CAS Number> (1,480)
56038-13-2

$$$$
teriflunomide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,481)
1808

>  <Formula> (1,481)
C12H9F3N2O2

>  <MolWeight> (1,481)
270.2072696

>  <Item Name> (1,481)
Teriflunomide

>  <Catalog Number> (1,481)
S4169

>  <Synonyms> (1,481)
N/A

>  <Target> (1,481)
Others

>  <Form> (1,481)
Free Base

>  <URL> (1,481)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (1,481)
108605-62-5

$$$$
Valnemulin HCl.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,482)
1809

>  <Formula> (1,482)
C31H53ClN2O5S

>  <MolWeight> (1,482)
601.28092

>  <Item Name> (1,482)
Valnemulin HCl

>  <Catalog Number> (1,482)
S4216

>  <Synonyms> (1,482)
N/A

>  <Target> (1,482)
Others

>  <Form> (1,482)
HCl

>  <URL> (1,482)
http://www.selleckchem.com/products/valnemulin-hcl.html

>  <CAS Number> (1,482)
133868-46-9

$$$$
b-AP15.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,483)
1811

>  <Formula> (1,483)
C22H17N3O6

>  <MolWeight> (1,483)
419.38688

>  <Item Name> (1,483)
b-AP15

>  <Catalog Number> (1,483)
S4920

>  <Synonyms> (1,483)
N/A

>  <Target> (1,483)
DUB

>  <Form> (1,483)
Free Base

>  <URL> (1,483)
http://www.selleckchem.com/products/b-ap15.html

>  <CAS Number> (1,483)
1009817-63-3

$$$$
cetrimonium bromide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,484)
1814

>  <Formula> (1,484)
C19H42BrN

>  <MolWeight> (1,484)
364.44748

>  <Item Name> (1,484)
Cetrimonium Bromide

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177355-84-9

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

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23674-86-4

$$$$
Diminazene aceturate.cdx
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908-54-3

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Droperidol.cdx
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 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,488)
1820

>  <Formula> (1,488)
C22H22FN3O2

>  <MolWeight> (1,488)
379.4273832

>  <Item Name> (1,488)
Droperidol

>  <Catalog Number> (1,488)
S4096

>  <Synonyms> (1,488)
N/A

>  <Target> (1,488)
Others

>  <Form> (1,488)
Free Base

>  <URL> (1,488)
http://www.selleckchem.com/products/droperidol.html

>  <CAS Number> (1,488)
548-73-2

$$$$
Dydrogesterone.cdx
csChFnd80/02221609172D

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 10  5  1  0  0  0  0
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  9 23  1  1  0  0  0
 10 24  1  1  0  0  0
  5 25  1  6  0  0  0
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  2 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,489)
1821

>  <Formula> (1,489)
C21H28O2

>  <MolWeight> (1,489)
312.44582

>  <Item Name> (1,489)
Dydrogesterone

>  <Catalog Number> (1,489)
S4097

>  <Synonyms> (1,489)
N/A

>  <Target> (1,489)
Others

>  <Form> (1,489)
Free Base

>  <URL> (1,489)
http://www.selleckchem.com/products/dydrogesterone.html

>  <CAS Number> (1,489)
152-62-5

$$$$
Eprosartan mesylate.cdx
csChFnd80/02221609172D

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.9058    7.8367    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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 13  9  1  0  0  0  0
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 31 32  1  0  0  0  0
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 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,490)
1822

>  <Formula> (1,490)
C24H28N2O7S2

>  <MolWeight> (1,490)
520.61832

>  <Item Name> (1,490)
Eprosartan Mesylate

>  <Catalog Number> (1,490)
S4102

>  <Synonyms> (1,490)
N/A

>  <Target> (1,490)
Others

>  <Form> (1,490)
Free Base

>  <URL> (1,490)
http://www.selleckchem.com/products/eprosartan-mesylate.html

>  <CAS Number> (1,490)
144143-96-4 

$$$$
Esmolol hydrochloride.cdx
csChFnd80/02221609172D

 22 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,491)
1823

>  <Formula> (1,491)
C16H26ClNO4

>  <MolWeight> (1,491)
331.83494

>  <Item Name> (1,491)
Esmolol HCl

>  <Catalog Number> (1,491)
S4100

>  <Synonyms> (1,491)
N/A

>  <Target> (1,491)
Others

>  <Form> (1,491)
HCl

>  <URL> (1,491)
http://www.selleckchem.com/products/esmolol-hcl.html

>  <CAS Number> (1,491)
81161-17-3, 81147-92-4(free base)

$$$$
Fenspiride hydrochloride.cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
   10.2709    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6709    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5709    1.2124    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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 18 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,492)
1824

>  <Formula> (1,492)
C15H21ClN2O2

>  <MolWeight> (1,492)
296.79244

>  <Item Name> (1,492)
Fenspiride HCl 
Fenspiride HCl

>  <Catalog Number> (1,492)
S4090

>  <Synonyms> (1,492)
N/A

>  <Target> (1,492)
Others

>  <Form> (1,492)
HCl

>  <URL> (1,492)
http://www.selleckchem.com/products/Fenspiride-hcl.html

>  <CAS Number> (1,492)
5053-08-7, 5053-06-5(free base)

$$$$
flumethasone.cdx
csChFnd80/02221609172D

 31 34  0  0  0  0  0  0  0  0999 V2000
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http://www.selleckchem.com/products/flumethasone.html

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2135-17-3

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GDC-0152.cdx
csChFnd80/02221609172D

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IAP

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>  <URL> (1,494)
http://www.selleckchem.com/products/gdc-0152.html

>  <CAS Number> (1,494)
873652-48-3

$$$$
Halcinonide.cdx
csChFnd80/02221609172D

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Free Base

>  <URL> (1,495)
http://www.selleckchem.com/products/halcinonide.html

>  <CAS Number> (1,495)
3093-35-4

$$$$
halobetasol propionate .cdx
csChFnd80/02221609172D

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>  <Target> (1,496)
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Free Base

>  <URL> (1,496)
http://www.selleckchem.com/products/halobetasol-propionate.html

>  <CAS Number> (1,496)
66852-54-8

$$$$
ifenprodil tartrate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,497)
1829

>  <Formula> (1,497)
C46H60N2O10

>  <MolWeight> (1,497)
800.976

>  <Item Name> (1,497)
Ifenprodil Tartrate

>  <Catalog Number> (1,497)
S4091

>  <Synonyms> (1,497)
N/A

>  <Target> (1,497)
Others

>  <Form> (1,497)
Tartrate

>  <URL> (1,497)
http://www.selleckchem.com/products/ifenprodil-tartrate.html

>  <CAS Number> (1,497)
23210-58-4

$$$$
levobetaxolol hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,498)
1832

>  <Formula> (1,498)
C18H30ClNO3

>  <MolWeight> (1,498)
343.8887

>  <Item Name> (1,498)
Levobetaxolol HCl

>  <Catalog Number> (1,498)
S4085

>  <Synonyms> (1,498)
N/A

>  <Target> (1,498)
Others

>  <Form> (1,498)
HCl

>  <URL> (1,498)
http://www.selleckchem.com/products/levobetaxolol-hcl.html

>  <CAS Number> (1,498)
116209-55-3, 93221-48-8(free base)

$$$$
lomerizine hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,499)
1833

>  <Formula> (1,499)
C27H32Cl2F2N2O3

>  <MolWeight> (1,499)
541.4573864

>  <Item Name> (1,499)
Lomerizine HCl

>  <Catalog Number> (1,499)
S4084

>  <Synonyms> (1,499)
N/A

>  <Target> (1,499)
Others

>  <Form> (1,499)
HCl

>  <URL> (1,499)
http://www.selleckchem.com/products/lomerizine-hcl.html

>  <CAS Number> (1,499)
101477-54-7, 101477-55-8(free base)

$$$$
loxapine succinate.cdx
csChFnd80/02221609172D

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Loxapine Succinate

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>  <Synonyms> (1,500)
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>  <Target> (1,500)
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Succinate

>  <URL> (1,500)
http://www.selleckchem.com/products/loxapine-succinate.html

>  <CAS Number> (1,500)
27833-64-3

$$$$
MDBN.cdx
csChFnd80/02221609172D

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1835

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C9H7NO4

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MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

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S4921

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N/A

>  <Target> (1,501)
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Free Base

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

>  <CAS Number> (1,501)
1485-00-3

$$$$
E-64.cdx
csChFnd80/02221609172D

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1837

>  <Formula> (1,502)
C15H27N5O5

>  <MolWeight> (1,502)
357.40538

>  <Item Name> (1,502)
E-64

>  <Catalog Number> (1,502)
S7379

>  <Synonyms> (1,502)
N/A

>  <Target> (1,502)
Cysteine Protease

>  <Form> (1,502)
Free Base

>  <URL> (1,502)
http://www.selleckchem.com/products/e-64.html

>  <CAS Number> (1,502)
66701-25-5

$$$$
Pramoxine hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,503)
1841

>  <Formula> (1,503)
C17H28ClNO3

>  <MolWeight> (1,503)
329.86212

>  <Item Name> (1,503)
Pramoxine HCl

>  <Catalog Number> (1,503)
S4092

>  <Synonyms> (1,503)
N/A

>  <Target> (1,503)
Others

>  <Form> (1,503)
N/A

>  <URL> (1,503)
http://www.selleckchem.com/products/pramoxine-hcl.html

>  <CAS Number> (1,503)
637-58-1

$$$$
PYR 41.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,504)
1842

>  <Formula> (1,504)
C17H13N3O7

>  <MolWeight> (1,504)
371.30102

>  <Item Name> (1,504)
PYR-41

>  <Catalog Number> (1,504)
S7129

>  <Synonyms> (1,504)
N/A

>  <Target> (1,504)
E1 Activating

>  <Form> (1,504)
Free Base

>  <URL> (1,504)
http://www.selleckchem.com/products/pyr-41.html

>  <CAS Number> (1,504)
418805-02-4

$$$$
spiramycin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,505)
1846

>  <Formula> (1,505)
C43H74N2O14

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843.05266

>  <Item Name> (1,505)
Spiramycin

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S4082

>  <Synonyms> (1,505)
N/A

>  <Target> (1,505)
Others

>  <Form> (1,505)
Free Base

>  <URL> (1,505)
http://www.selleckchem.com/products/spiramycin.html

>  <CAS Number> (1,505)
8025-81-8

$$$$
Voglibose.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,506)
1851

>  <Formula> (1,506)
C10H21NO7

>  <MolWeight> (1,506)
267.27624

>  <Item Name> (1,506)
Voglibose

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S4101

>  <Synonyms> (1,506)
N/A

>  <Target> (1,506)
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>  <Form> (1,506)
Free Base

>  <URL> (1,506)
http://www.selleckchem.com/products/voglibose.html

>  <CAS Number> (1,506)
83480-29-9

$$$$
Bromosporine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,507)
1852

>  <Formula> (1,507)
C17H20N6O4S

>  <MolWeight> (1,507)
404.4435

>  <Item Name> (1,507)
Bromosporine

>  <Catalog Number> (1,507)
S7233

>  <Synonyms> (1,507)
N/A

>  <Target> (1,507)
Epigenetic Reader Domain

>  <Form> (1,507)
Free Base

>  <URL> (1,507)
http://www.selleckchem.com/products/bromosporine.html

$$$$
Azaperone.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,508)
1854

>  <Formula> (1,508)
C19H22FN3O

>  <MolWeight> (1,508)
327.3958832

>  <Item Name> (1,508)
Azaperone

>  <Catalog Number> (1,508)
S4219

>  <Synonyms> (1,508)
N/A

>  <Target> (1,508)
Others

>  <Form> (1,508)
Free Base

>  <URL> (1,508)
http://www.selleckchem.com/products/azaperone.html

>  <CAS Number> (1,508)
1649-18-9

$$$$
Benzbromarone .cdx
csChFnd80/02221609172D

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 18 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,509)
1855

>  <Formula> (1,509)
C17H12Br2O3

>  <MolWeight> (1,509)
424.08338

>  <Item Name> (1,509)
Benzbromarone

>  <Catalog Number> (1,509)
S4221

>  <Synonyms> (1,509)
N/A

>  <Target> (1,509)
Others

>  <Form> (1,509)
Free Base

>  <URL> (1,509)
http://www.selleckchem.com/products/benzbromarone.html

>  <CAS Number> (1,509)
3562-84-3

$$$$
Benzethonium chloride.cdx
csChFnd80/02221609172D

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    4.4487    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,510)
1856

>  <Formula> (1,510)
C27H42ClNO2

>  <MolWeight> (1,510)
448.08088

>  <Item Name> (1,510)
Benzethonium chloride

>  <Catalog Number> (1,510)
S4162

>  <Synonyms> (1,510)
N/A

>  <Target> (1,510)
Others

>  <Form> (1,510)
Chloride

>  <URL> (1,510)
http://www.selleckchem.com/products/benzethonium-chloride.html

>  <CAS Number> (1,510)
121-54-0

$$$$
Benzocaine.cdx
csChFnd80/02221609172D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.0927    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
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  8  9  2  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
M  END
>  <Mol_ID> (1,511)
1857

>  <Formula> (1,511)
C9H11NO2

>  <MolWeight> (1,511)
165.18914

>  <Item Name> (1,511)
Benzocaine

>  <Catalog Number> (1,511)
S4210

>  <Synonyms> (1,511)
N/A

>  <Target> (1,511)
Others

>  <Form> (1,511)
Free Base

>  <URL> (1,511)
http://www.selleckchem.com/products/benzocaine.html

>  <CAS Number> (1,511)
94-09-7

$$$$
Benzoic acid .cdx
csChFnd80/02221609172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   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
  1  2  2  0  0  0  0
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  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,512)
1858

>  <Formula> (1,512)
C7H6O2

>  <MolWeight> (1,512)
122.12134

>  <Item Name> (1,512)
Benzoic acid

>  <Catalog Number> (1,512)
S4161

>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
Others

>  <Form> (1,512)
Free Base

>  <URL> (1,512)
http://www.selleckchem.com/products/benzoic-acid.html

>  <CAS Number> (1,512)
65-85-0 

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/02221609172D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.1553    8.8185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122    7.4169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4321    9.3350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7934    8.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8842    7.3147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5911    7.0707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3345    8.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010   10.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7264    9.6585    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
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  1  6  0  0  0
  6  7  1  0  0  0  0
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  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,513)
1859

>  <Formula> (1,513)
C16H17N2NaO4S

>  <MolWeight> (1,513)
356.37195

>  <Item Name> (1,513)
Benzylpenicillin sodium

>  <Catalog Number> (1,513)
S4160

>  <Synonyms> (1,513)
N/A

>  <Target> (1,513)
Others

>  <Form> (1,513)
Sodium

>  <URL> (1,513)
http://www.selleckchem.com/products/benzylpenicillin-sodium.html

>  <CAS Number> (1,513)
69-57-8

$$$$
Bezafibrate .cdx
csChFnd80/02221609172D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    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
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3537    7.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (1,514)
1860

>  <Formula> (1,514)
C19H20ClNO4

>  <MolWeight> (1,514)
361.8194

>  <Item Name> (1,514)
Bezafibrate

>  <Catalog Number> (1,514)
S4159

>  <Synonyms> (1,514)
N/A

>  <Target> (1,514)
Others

>  <Form> (1,514)
Free Base

>  <URL> (1,514)
http://www.selleckchem.com/products/bezafibrate.html

>  <CAS Number> (1,514)
41859-67-0

$$$$
chlorocresol.cdx
csChFnd80/02221609172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6784    1.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0884    2.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6360    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242    3.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4557    2.6641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3705    1.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771    3.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,515)
1861

>  <Formula> (1,515)
C7H7ClO

>  <MolWeight> (1,515)
142.58288

>  <Item Name> (1,515)
Chlorocresol

>  <Catalog Number> (1,515)
S4209

>  <Synonyms> (1,515)
N/A

>  <Target> (1,515)
Others

>  <Form> (1,515)
Free Base

>  <URL> (1,515)
http://www.selleckchem.com/products/chlorocresol.html

>  <CAS Number> (1,515)
59-50-7

$$$$
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csChFnd80/02221609172D

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4940-39-0

$$$$
Clofibric acid.cdx
csChFnd80/02221609172D

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882-09-7

$$$$
Cysteamine HCl.cdx
csChFnd80/02221609172D

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HCl

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156-57-0

$$$$
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csChFnd80/02221609172D

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

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132-65-0

$$$$
Erythritol.cdx
csChFnd80/02221609172D

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

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149-32-6

$$$$
fidaxomicin.cdx
csChFnd80/02221609172D

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M  END
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Fidaxomicin

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>  <Synonyms> (1,521)
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>  <Target> (1,521)
Others

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Free Base

>  <URL> (1,521)
http://www.selleckchem.com/products/fidaxomicin.html

>  <CAS Number> (1,521)
873857-62-6

$$$$
Fluorometholone Acetate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,522)
1868

>  <Formula> (1,522)
C24H31FO5

>  <MolWeight> (1,522)
418.4983432

>  <Item Name> (1,522)
Fluorometholone Acetate

>  <Catalog Number> (1,522)
S4228

>  <Synonyms> (1,522)
N/A

>  <Target> (1,522)
Others

>  <Form> (1,522)
Free Base

>  <URL> (1,522)
http://www.selleckchem.com/products/fluorometholone-acetate.html

>  <CAS Number> (1,522)
3801-06-7

$$$$
Isosorbide.cdx
csChFnd80/02221609172D

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>  <Formula> (1,523)
C6H10O4

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N/A

>  <Target> (1,523)
Others

>  <Form> (1,523)
Free Base

>  <URL> (1,523)
http://www.selleckchem.com/products/isosorbide.html

>  <CAS Number> (1,523)
652-67-5 

$$$$
Liothyronine Sodium.cdx
csChFnd80/02221609172D

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1870

>  <Formula> (1,524)
C15H11I3NNaO4

>  <MolWeight> (1,524)
672.95532

>  <Item Name> (1,524)
Liothyronine Sodium

>  <Catalog Number> (1,524)
S4217

>  <Synonyms> (1,524)
N/A

>  <Target> (1,524)
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>  <Form> (1,524)
Free Base

>  <URL> (1,524)
http://www.selleckchem.com/products/liothyronine-sodium.html

>  <CAS Number> (1,524)
55-06-1

$$$$
mevastatin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,525)
1871

>  <Formula> (1,525)
C23H34O5

>  <MolWeight> (1,525)
390.51306

>  <Item Name> (1,525)
Mevastatin

>  <Catalog Number> (1,525)
S4223

>  <Synonyms> (1,525)
N/A

>  <Target> (1,525)
Others

>  <Form> (1,525)
Free Base

>  <URL> (1,525)
http://www.selleckchem.com/products/mevastatin.html

>  <CAS Number> (1,525)
73573-88-3

$$$$
Mexiletine Hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,526)
1872

>  <Formula> (1,526)
C11H18ClNO

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215.71972

>  <Item Name> (1,526)
Mexiletine HCl

>  <Catalog Number> (1,526)
S4225

>  <Synonyms> (1,526)
N/A

>  <Target> (1,526)
Others

>  <Form> (1,526)
HCl

>  <URL> (1,526)
http://www.selleckchem.com/products/mexiletine-hcl.html

>  <CAS Number> (1,526)
5370-01-4

$$$$
Montelukast sodium.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,527)
1874

>  <Formula> (1,527)
C35H35ClNNaO3S

>  <MolWeight> (1,527)
608.16507

>  <Item Name> (1,527)
Montelukast Sodium

>  <Catalog Number> (1,527)
S4211

>  <Synonyms> (1,527)
N/A

>  <Target> (1,527)
Others

>  <Form> (1,527)
Sodium

>  <URL> (1,527)
http://www.selleckchem.com/products/montelukast-sodium.html

>  <CAS Number> (1,527)
151767-02-1

$$$$
Nithiamide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,528)
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>  <Formula> (1,528)
C5H5N3O3S

>  <MolWeight> (1,528)
187.1765

>  <Item Name> (1,528)
Nithiamide

>  <Catalog Number> (1,528)
S4232

>  <Synonyms> (1,528)
N/A

>  <Target> (1,528)
Others

>  <Form> (1,528)
Free Base

>  <URL> (1,528)
http://www.selleckchem.com/products/nithiamide.html

>  <CAS Number> (1,528)
140-40-9

$$$$
NSC 405020.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,529)
1876

>  <Formula> (1,529)
C12H15Cl2NO

>  <MolWeight> (1,529)
260.1596

>  <Item Name> (1,529)
NSC 405020

>  <Catalog Number> (1,529)
S8072

>  <Synonyms> (1,529)
STK029746

>  <Target> (1,529)
MMP

>  <Form> (1,529)
Free Base

>  <URL> (1,529)
http://www.selleckchem.com/products/nsc-405020.html

>  <CAS Number> (1,529)
7497-07-6

$$$$
Oxaprozin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,530)
1877

>  <Formula> (1,530)
C18H15NO3

>  <MolWeight> (1,530)
293.3166

>  <Item Name> (1,530)
Oxaprozin

>  <Catalog Number> (1,530)
S4230

>  <Synonyms> (1,530)
N/A

>  <Target> (1,530)
Others

>  <Form> (1,530)
Free Base

>  <URL> (1,530)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (1,530)
21256-18-8

$$$$
Oxybuprocaine HCl.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,531)
1878

>  <Formula> (1,531)
C17H29ClN2O3

>  <MolWeight> (1,531)
344.87676

>  <Item Name> (1,531)
Oxybuprocaine HCl

>  <Catalog Number> (1,531)
S4229

>  <Synonyms> (1,531)
N/A

>  <Target> (1,531)
Others

>  <Form> (1,531)
HCl

>  <URL> (1,531)
http://www.selleckchem.com/products/oxybuprocaine-hcl.html

>  <CAS Number> (1,531)
5987-82-6

$$$$
pheniramine maleate .cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,532)
1879

>  <Formula> (1,532)
C20H24N2O4

>  <MolWeight> (1,532)
356.41556

>  <Item Name> (1,532)
Pheniramine Maleate

>  <Catalog Number> (1,532)
S4045

>  <Synonyms> (1,532)
N/A

>  <Target> (1,532)
Others

>  <Form> (1,532)
Maleate

>  <URL> (1,532)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (1,532)
132-20-7

$$$$
Pilocarpine HCl.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,533)
1880

>  <Formula> (1,533)
C11H17ClN2O2

>  <MolWeight> (1,533)
244.71788

>  <Item Name> (1,533)
Pilocarpine HCl

>  <Catalog Number> (1,533)
S4231

>  <Synonyms> (1,533)
N/A

>  <Target> (1,533)
Others

>  <Form> (1,533)
HCl

>  <URL> (1,533)
http://www.selleckchem.com/products/pilocarpine-hcl.html

>  <CAS Number> (1,533)
54-71-7

$$$$
Piperacillin Sodium.cdx
csChFnd80/02221609172D

 37 39  0  0  0  0  0  0  0  0999 V2000
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 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (1,534)
1881

>  <Formula> (1,534)
C23H26N5NaO7S

>  <MolWeight> (1,534)
539.53661

>  <Item Name> (1,534)
Piperacillin Sodium

>  <Catalog Number> (1,534)
S4222

>  <Synonyms> (1,534)
N/A

>  <Target> (1,534)
Others

>  <Form> (1,534)
Sodium

>  <URL> (1,534)
http://www.selleckchem.com/products/piperacillin-sodium.html

>  <CAS Number> (1,534)
59703-84-3

$$$$
Tolperisone HCl.cdx
csChFnd80/02221609172D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,535)
1882

>  <Formula> (1,535)
C16H24ClNO

>  <MolWeight> (1,535)
281.82086

>  <Item Name> (1,535)
Tolperisone HCl

>  <Catalog Number> (1,535)
S4200

>  <Synonyms> (1,535)
N/A

>  <Target> (1,535)
Others

>  <Form> (1,535)
HCl

>  <URL> (1,535)
http://www.selleckchem.com/products/tolperisone-hcl.html

>  <CAS Number> (1,535)
3644-61-9

$$$$
Zoxazolamine.cdx
csChFnd80/02221609172D

 11 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (1,536)
1883

>  <Formula> (1,536)
C7H5ClN2O

>  <MolWeight> (1,536)
168.5804

>  <Item Name> (1,536)
Zoxazolamine

>  <Catalog Number> (1,536)
S4233

>  <Synonyms> (1,536)
N/A

>  <Target> (1,536)
Others

>  <Form> (1,536)
Free Base

>  <URL> (1,536)
http://www.selleckchem.com/products/zoxazolamine.html

>  <CAS Number> (1,536)
61-80-3

$$$$
AZD1080.cdx
csChFnd80/02221609172D

 25 28  0  0  0  0  0  0  0  0999 V2000
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GSK-3

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612487-72-6

$$$$
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csChFnd80/02221609172D

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DNA Methyltransferase

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

>  <CAS Number> (1,538)
192441-08-0

$$$$
NSC319726.cdx
csChFnd80/02221609172D

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p53

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Free Base

>  <URL> (1,539)
http://www.selleckchem.com/products/nsc319726.html

>  <CAS Number> (1,539)
71555-25-4

$$$$
Prucalopride succinat.cdx
csChFnd80/02221609172D

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>  <Formula> (1,540)
C22H32ClN3O7

>  <MolWeight> (1,540)
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>  <Item Name> (1,540)
Prucalopride Succinat

>  <Catalog Number> (1,540)
S4247

>  <Synonyms> (1,540)
N/A

>  <Target> (1,540)
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>  <Form> (1,540)
Succinat

>  <URL> (1,540)
http://www.selleckchem.com/products/prucalopride-succinat.html

>  <CAS Number> (1,540)
179474-85-2

$$$$
Bromfenac sodium.cdx
csChFnd80/02221609172D

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1889

>  <Formula> (1,541)
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Bromfenac Sodium

>  <Catalog Number> (1,541)
S4248

>  <Synonyms> (1,541)
N/A

>  <Target> (1,541)
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>  <URL> (1,541)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (1,541)
91714-93-1

$$$$
Flopropione.cdx
csChFnd80/02221609172D

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>  <Target> (1,542)
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2295-58-1

$$$$
S4246.cdx
csChFnd80/02221609172D

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    4.9325    5.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3323    5.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6501    6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344    4.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 R   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
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (1,543)
1891

>  <Formula> (1,543)
C9H12ClNR

>  <MolWeight> (1,543)
169.65128

>  <Item Name> (1,543)
Tranylcypromine (2-PCPA) HCl

>  <Catalog Number> (1,543)
S4246

>  <Synonyms> (1,543)
N/A

>  <Target> (1,543)
MAO

>  <Form> (1,543)
Salt

>  <URL> (1,543)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

>  <CAS Number> (1,543)
4548-34-9

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/02221609172D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9745    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
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 17 18  1  0  0  0  0
 14 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,544)
1892

>  <Formula> (1,544)
C11H12N4O3S

>  <MolWeight> (1,544)
280.30298

>  <Item Name> (1,544)
Sulfamethoxypyridazine

>  <Catalog Number> (1,544)
S4250

>  <Synonyms> (1,544)
N/A

>  <Target> (1,544)
Others

>  <Form> (1,544)
Free Base

>  <URL> (1,544)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

>  <CAS Number> (1,544)
80-35-3

$$$$
Phenothiazine.cdx
csChFnd80/02221609172D

 14 16  0  0  0  0  0  0  0  0999 V2000
    2.4326    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2195    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0578    2.7821    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
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  9 12  2  0  0  0  0
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 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,545)
1893

>  <Formula> (1,545)
C12H9NS

>  <MolWeight> (1,545)
199.27156

>  <Item Name> (1,545)
Phenothiazine

>  <Catalog Number> (1,545)
S4251

>  <Synonyms> (1,545)
N/A

>  <Target> (1,545)
Others

>  <Form> (1,545)
Free Base

>  <URL> (1,545)
http://www.selleckchem.com/products/phenothiazine.html

>  <CAS Number> (1,545)
92-84-2

$$$$
Mechlorethamine HCl.cdx
csChFnd80/02221609172D

  9  7  0  0  0  0  0  0  0  0999 V2000
    7.2744    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0002    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0713    0.5795    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,546)
1894

>  <Formula> (1,546)
C5H12Cl3N

>  <MolWeight> (1,546)
192.51448

>  <Item Name> (1,546)
Mechlorethamine HCl

>  <Catalog Number> (1,546)
S4252

>  <Synonyms> (1,546)
N/A

>  <Target> (1,546)
Others

>  <Form> (1,546)
HCl

>  <URL> (1,546)
http://www.selleckchem.com/products/mechlorethamine-hcl.html

>  <CAS Number> (1,546)
55-86-7

$$$$
Epinastine HCl.cdx
csChFnd80/02221609172D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  6 18  2  0  0  0  0
  7 15  2  0  0  0  0
  8 19  1  0  0  0  0
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M  END
>  <Mol_ID> (1,547)
1895

>  <Formula> (1,547)
C16H16ClN3

>  <MolWeight> (1,547)
285.77134

>  <Item Name> (1,547)
Epinastine HCl

>  <Catalog Number> (1,547)
S4253

>  <Synonyms> (1,547)
N/A

>  <Target> (1,547)
Others

>  <Form> (1,547)
HCl

>  <URL> (1,547)
http://www.selleckchem.com/products/epinastine-hcl.html

>  <CAS Number> (1,547)
108929-04-0

$$$$
AZD3514.cdx
csChFnd80/02221609172D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,548)
1898

>  <Formula> (1,548)
C25H32F3N7O2

>  <MolWeight> (1,548)
519.5624896

>  <Item Name> (1,548)
AZD3514

>  <Catalog Number> (1,548)
S7040

>  <Synonyms> (1,548)
N/A

>  <Target> (1,548)
Androgen Receptor

>  <Form> (1,548)
Free Base

>  <URL> (1,548)
http://www.selleckchem.com/products/azd3514.html

>  <CAS Number> (1,548)
1240299-33-5

$$$$
PD123319.cdx
csChFnd80/02221609172D

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RAAS

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Free Base

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http://www.selleckchem.com/products/pd123319.html

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130663-39-7

$$$$
SKI II (SphK-I2).cdx
csChFnd80/02221609172D

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SKI II

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SphK-I2, Sphingosine Kinase Inhibitor 2

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S1P Receptor

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Free Base

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312636-16-1

$$$$
HA14-1.cdx
csChFnd80/02221609172D

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HA141

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Bcl-2

>  <Form> (1,551)
Free Base

>  <URL> (1,551)
http://www.selleckchem.com/products/HA14-1.html

>  <CAS Number> (1,551)
65673-63-4

$$$$
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csChFnd80/02221609172D

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C16H17N3O4S

>  <MolWeight> (1,552)
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>  <Item Name> (1,552)
Cephalexin (Cefalexin)

>  <Catalog Number> (1,552)
S1502

>  <Synonyms> (1,552)
Cefalexin, Alcephin, Cefablan, keflex,Cefadin, Tepaxin

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Free Base

>  <URL> (1,552)
http://www.selleckchem.com/products/Cephalexin-(Cefalexin).html

>  <CAS Number> (1,552)
15686-71-2

$$$$
Mitoxantrone.cdx
csChFnd80/02221609172D

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>  <Formula> (1,553)
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Mitoxantrone

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S1889

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Novantrone

>  <Target> (1,553)
Topoisomerase

>  <Form> (1,553)
Free Base

>  <URL> (1,553)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (1,553)
70476-82-3

$$$$
Bazedoxifene acetate.cdx
csChFnd80/02221609172D

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1907

>  <Formula> (1,554)
C32H38N2O5

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Bazedoxifene acetate

>  <Catalog Number> (1,554)
S2167

>  <Synonyms> (1,554)
N/A

>  <Target> (1,554)
Estrogen/progestogen Receptor

>  <Form> (1,554)
Acetate

>  <URL> (1,554)
http://www.selleckchem.com/products/Bazedoxifene-acetate.html

>  <CAS Number> (1,554)
198481-33-3

$$$$
Aloe-emodin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,555)
1908

>  <Formula> (1,555)
C15H10O5

>  <MolWeight> (1,555)
270.2369

>  <Item Name> (1,555)
Aloe-emodin

>  <Catalog Number> (1,555)
S2259

>  <Synonyms> (1,555)
N/A

>  <Target> (1,555)
Others

>  <Form> (1,555)
Free Base

>  <URL> (1,555)
http://www.selleckchem.com/products/Aloe-emodin.html

>  <CAS Number> (1,555)
481-72-1

$$$$
OC000459.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,556)
1911

>  <Formula> (1,556)
C21H17FN2O2

>  <MolWeight> (1,556)
348.3702832

>  <Item Name> (1,556)
OC000459

>  <Catalog Number> (1,556)
S2822

>  <Synonyms> (1,556)
N/A

>  <Target> (1,556)
GPR
GPR

>  <Form> (1,556)
Free Base

>  <URL> (1,556)
http://www.selleckchem.com/products/oc000459.html

>  <CAS Number> (1,556)
851723-84-7, 950688-14-9 (sodium salt)

$$$$
purmorphamine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,557)
1912

>  <Formula> (1,557)
C31H32N6O2

>  <MolWeight> (1,557)
520.62478

>  <Item Name> (1,557)
Purmorphamine

>  <Catalog Number> (1,557)
S3042

>  <Synonyms> (1,557)
N/A

>  <Target> (1,557)
Hedgehog/Smoothened

>  <Form> (1,557)
Free Base

>  <URL> (1,557)
http://www.selleckchem.com/products/purmorphamine.html

>  <CAS Number> (1,557)
483367-10-8

$$$$
Verapamil HCl.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,558)
1914

>  <Formula> (1,558)
C27H39ClN2O4

>  <MolWeight> (1,558)
491.06256

>  <Item Name> (1,558)
Verapamil HCl

>  <Catalog Number> (1,558)
S4202

>  <Synonyms> (1,558)
N/A

>  <Target> (1,558)
Others

>  <Form> (1,558)
HCl

>  <URL> (1,558)
http://www.selleckchem.com/products/verapami-hcl.html

>  <CAS Number> (1,558)
152-11-4

$$$$
VX-745.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,559)
1915

>  <Formula> (1,559)
C19H9Cl2F2N3OS

>  <MolWeight> (1,559)
436.2620664

>  <Item Name> (1,559)
VX-745

>  <Catalog Number> (1,559)
S1458

>  <Synonyms> (1,559)
N/A

>  <Target> (1,559)
p38 MAPK 

>  <Form> (1,559)
Free Base

>  <URL> (1,559)
http://www.selleckchem.com/products/VX-745.html

>  <CAS Number> (1,559)
209410-46-8

$$$$
untitled.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,560)
1916

>  <Formula> (1,560)
C13H16N6O4

>  <MolWeight> (1,560)
320.30394

>  <Item Name> (1,560)
Triciribine (Triciribine phosphate)

>  <Catalog Number> (1,560)
S1117

>  <Synonyms> (1,560)
N/A

>  <Target> (1,560)
Akt

>  <Form> (1,560)
Free Base

>  <URL> (1,560)
http://www.selleckchem.com/products/Triciribine.html

>  <CAS Number> (1,560)
35943-35-2

$$$$
AZD 1480.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,561)
1917

>  <Formula> (1,561)
C14H14ClFN8

>  <MolWeight> (1,561)
348.7659632

>  <Item Name> (1,561)
AZD1480

>  <Catalog Number> (1,561)
S2162

>  <Synonyms> (1,561)
N/A

>  <Target> (1,561)
JAK

>  <Form> (1,561)
Free Base

>  <URL> (1,561)
http://www.selleckchem.com/products/AZD1480.html

>  <CAS Number> (1,561)
935666-88-9, 1260222-79-4 (TFA)

$$$$
Bosentan.cdx
csChFnd80/02221609172D

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

>  <CAS Number> (1,562)
147536-97-8

$$$$
quinacrine dihydrochloride.cdx
csChFnd80/02221609172D

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>  <Formula> (1,563)
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Quinacrine 2HCl

>  <Catalog Number> (1,563)
S4255

>  <Synonyms> (1,563)
N/A

>  <Target> (1,563)
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>  <Form> (1,563)
HCl

>  <URL> (1,563)
http://www.selleckchem.com/products/quinacrine-2hcl.html

>  <CAS Number> (1,563)
69-05-6

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/02221609172D

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>  <Formula> (1,564)
C17H15BrF2N4O3

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Binimetinib (MEK162, ARRY-162, ARRY-438162)

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N/A

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MEK

>  <Form> (1,564)
Free Base

>  <URL> (1,564)
http://www.selleckchem.com/products/mek162.html

>  <CAS Number> (1,564)
606143-89-9

$$$$
brefeldin A.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,565)
1921

>  <Formula> (1,565)
C16H24O4

>  <MolWeight> (1,565)
280.35936

>  <Item Name> (1,565)
Brefeldin A 

>  <Catalog Number> (1,565)
S7046

>  <Synonyms> (1,565)
BFA

>  <Target> (1,565)
ATPase

>  <Form> (1,565)
Free Base

>  <URL> (1,565)
http://www.selleckchem.com/products/brefeldin-a.html

>  <CAS Number> (1,565)
20350-15-6

$$$$
T0901317.cdx
csChFnd80/02221609172D

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csChFnd80/02221609172D

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300586-90-7

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1932

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RGFP966

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N/A

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HDAC

>  <Form> (1,575)
Free Base

>  <URL> (1,575)
http://www.selleckchem.com/products/rgfp966.html

>  <CAS Number> (1,575)
1396841-57-8

$$$$
Ferrostatin-1 (Fer-1).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,576)
1933

>  <Formula> (1,576)
C15H22N2O2

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262.34738

>  <Item Name> (1,576)
Ferrostatin-1 (Fer-1)

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S7243

>  <Synonyms> (1,576)
N/A

>  <Target> (1,576)
Ferroptosis

>  <Form> (1,576)
Free Base

>  <URL> (1,576)
http://www.selleckchem.com/products/ferrostatin-1-fer-1.html

>  <CAS Number> (1,576)
347174-05-4

$$$$
AZD2858.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,577)
1934

>  <Formula> (1,577)
C21H23N7O3S

>  <MolWeight> (1,577)
453.51742

>  <Item Name> (1,577)
AZD2858

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S7253

>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
GSK-3

>  <Form> (1,577)
Free Base

>  <URL> (1,577)
http://www.selleckchem.com/products/azd2858.html

>  <CAS Number> (1,577)
486424-20-8

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,578)
1935

>  <Formula> (1,578)
C15H14O3

>  <MolWeight> (1,578)
242.26986

>  <Item Name> (1,578)
Beta-Lapachone

>  <Catalog Number> (1,578)
S7261

>  <Synonyms> (1,578)
¦Â-Lapachone, ARQ-501

>  <Target> (1,578)
Topoisomerase

>  <Form> (1,578)
Free Base

>  <URL> (1,578)
http://www.selleckchem.com/products/beta-lapachone.html

>  <CAS Number> (1,578)
4707-32-8

$$$$
ZM39923 HCl.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,579)
1936

>  <Formula> (1,579)
C23H26ClNO

>  <MolWeight> (1,579)
367.91164

>  <Item Name> (1,579)
ZM 39923 HCl

>  <Catalog Number> (1,579)
S8004

>  <Synonyms> (1,579)
N/A

>  <Target> (1,579)
JAK

>  <Form> (1,579)
HCl

>  <URL> (1,579)
http://www.selleckchem.com/products/zm-39923-hcl.html

>  <CAS Number> (1,579)
1021868-92-7

$$$$
dynasore .cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,580)
1937

>  <Formula> (1,580)
C18H14N2O4

>  <MolWeight> (1,580)
322.31476

>  <Item Name> (1,580)
Dynasore

>  <Catalog Number> (1,580)
S8047

>  <Synonyms> (1,580)
N/A

>  <Target> (1,580)
Dynamin

>  <Form> (1,580)
Free Base

>  <URL> (1,580)
http://www.selleckchem.com/products/dynasore.html

>  <CAS Number> (1,580)
304448-55-3

$$$$
PluriSln 1(NSC 14613).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,581)
1938

>  <Formula> (1,581)
C12H11N3O

>  <MolWeight> (1,581)
213.23524

>  <Item Name> (1,581)
PluriSIn #1 (NSC 14613)

>  <Catalog Number> (1,581)
S8076

>  <Synonyms> (1,581)
N/A

>  <Target> (1,581)
Dehydrogenase

>  <Form> (1,581)
Free Base

>  <URL> (1,581)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

>  <CAS Number> (1,581)
91396-88-2

$$$$
SGC 0946.cdx
csChFnd80/02221609172D

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   12.6095    1.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 23  1  0  0  0  0
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 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,582)
1939

>  <Formula> (1,582)
C28H40BrN7O4

>  <MolWeight> (1,582)
618.5657

>  <Item Name> (1,582)
SGC 0946

>  <Catalog Number> (1,582)
S7079

>  <Synonyms> (1,582)
N/A

>  <Target> (1,582)
Histone Methyltransferase

>  <Form> (1,582)
Free Base

>  <URL> (1,582)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Erastin.cdx
csChFnd80/02221609172D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.0222    7.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3222    8.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,583)
1940

>  <Formula> (1,583)
C30H31ClN4O4

>  <MolWeight> (1,583)
547.04454

>  <Item Name> (1,583)
Erastin

>  <Catalog Number> (1,583)
S7242

>  <Synonyms> (1,583)
N/A

>  <Target> (1,583)
Ferroptosis

>  <Form> (1,583)
Free Base

>  <URL> (1,583)
http://www.selleckchem.com/products/erastin.html

>  <CAS Number> (1,583)
571203-78-6

$$$$
RAD51 inhibitor RI-1.cdx
csChFnd80/02221609172D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  3  9  1  0  0  0  0
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 13  9  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,584)
1941

>  <Formula> (1,584)
C14H11Cl3N2O3

>  <MolWeight> (1,584)
361.60774

>  <Item Name> (1,584)
RI-1

>  <Catalog Number> (1,584)
S8077

>  <Synonyms> (1,584)
RAD51 inhibitor 1

>  <Target> (1,584)
Others

>  <Form> (1,584)
Free Base

>  <URL> (1,584)
http://www.selleckchem.com/products/ri-1.html

>  <CAS Number> (1,584)
415713-60-9

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/02221609172D

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64984-31-2

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PI3K

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Free Base

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http://www.selleckchem.com/products/czc24832.html

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1159824-67-5

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DNA Methyltransferase Inhibitor II

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DNA Methyltransferase

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>  <Target> (1,589)
Others

>  <Form> (1,589)
Free Base

>  <URL> (1,589)
http://www.selleckchem.com/products/srpin340.html

>  <CAS Number> (1,589)
218156-96-8

$$$$
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csChFnd80/02221609172D

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>  <Mol_ID> (1,590)
1950

>  <Formula> (1,590)
C30H22N4O2

>  <MolWeight> (1,590)
470.52128

>  <Item Name> (1,590)
ETP-46464

>  <Catalog Number> (1,590)
S8050

>  <Synonyms> (1,590)
N/A

>  <Target> (1,590)
mTOR

>  <Form> (1,590)
Free Base

>  <URL> (1,590)
http://www.selleckchem.com/products/etp-46464.html

>  <CAS Number> (1,590)
1345675-02-6

$$$$
Golgicide A.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,591)
1951

>  <Formula> (1,591)
C17H14F2N2

>  <MolWeight> (1,591)
284.3032664

>  <Item Name> (1,591)
Golgicide A

>  <Catalog Number> (1,591)
S7266

>  <Synonyms> (1,591)
N/A

>  <Target> (1,591)
ATPase

>  <Form> (1,591)
Free Base

>  <URL> (1,591)
http://www.selleckchem.com/products/golgicide-a.html

>  <CAS Number> (1,591)
1139889-93-2

$$$$
XL388.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,592)
1952

>  <Formula> (1,592)
C23H22FN3O4S

>  <MolWeight> (1,592)
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>  <Item Name> (1,592)
XL388

>  <Catalog Number> (1,592)
S7035

>  <Synonyms> (1,592)
N/A

>  <Target> (1,592)
mTOR

>  <Form> (1,592)
Free Base

>  <URL> (1,592)
http://www.selleckchem.com/products/xl388.html

>  <CAS Number> (1,592)
1251156-08-7

$$$$
CO-1686(AVL-301).cdx
csChFnd80/02221609172D

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EGFR

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1374640-70-6

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http://www.selleckchem.com/products/ehop-016.html

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1380432-32-5

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1333151-73-7

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1221485-83-1

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51543-39-6

$$$$
Chlorpheniramine Maleate.cdx
csChFnd80/02221609172D

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Piriton

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Histamine Receptor

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113-92-8

$$$$
Emtricitabine.cdx
csChFnd80/02221609172D

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>  <Formula> (1,600)
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Atripla

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Reverse Transcriptase

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Free Base

>  <URL> (1,600)
http://www.selleckchem.com/products/Emtricitabine.html

>  <CAS Number> (1,600)
143491-57-0

$$$$
Idoxuridine.cdx
csChFnd80/02221609172D

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>  <URL> (1,601)
http://www.selleckchem.com/products/idoxuridine.html

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54-42-2

$$$$
Lubiprostone.cdx
csChFnd80/02221609172D

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>  <MolWeight> (1,602)
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Lubiprostone

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S1675

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>  <Target> (1,602)
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Free Base

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http://www.selleckchem.com/products/Lubiprostone(Amitiza).html

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136790-76-6

$$$$
Mitotane.cdx
csChFnd80/02221609172D

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2074

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C14H10Cl4

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Mitotane

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S1732

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Lysodren, Mitotan

>  <Target> (1,603)
Others

>  <Form> (1,603)
Free Base

>  <URL> (1,603)
http://www.selleckchem.com/products/Mitotane(Lysodren).html

>  <CAS Number> (1,603)
53-19-0

$$$$
Nisoldipine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,604)
2075

>  <Formula> (1,604)
C20H24N2O6

>  <MolWeight> (1,604)
388.41436

>  <Item Name> (1,604)
Nisoldipine

>  <Catalog Number> (1,604)
S1748

>  <Synonyms> (1,604)
Zadipina

>  <Target> (1,604)
Others

>  <Form> (1,604)
Free Base

>  <URL> (1,604)
http://www.selleckchem.com/products/Nisoldipine(Sular).html

>  <CAS Number> (1,604)
63675-72-9

$$$$
METI-DERM (prednisolone).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,605)
2076

>  <Formula> (1,605)
C21H28O5

>  <MolWeight> (1,605)
360.44402

>  <Item Name> (1,605)
Prednisolone

>  <Catalog Number> (1,605)
S1737

>  <Synonyms> (1,605)
Decaprednil, Predonine

>  <Target> (1,605)
Others

>  <Form> (1,605)
Free Base

>  <URL> (1,605)
http://www.selleckchem.com/products/Prednisolone(Hydroretrocortine).html

>  <CAS Number> (1,605)
50-24-8

$$$$
Rifabutin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,606)
2077

>  <Formula> (1,606)
C46H62N4O11

>  <MolWeight> (1,606)
847.00468

>  <Item Name> (1,606)
Rifabutin

>  <Catalog Number> (1,606)
S1741

>  <Synonyms> (1,606)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (1,606)
Others

>  <Form> (1,606)
Free Base

>  <URL> (1,606)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (1,606)
72559-06-9

$$$$
Rifampin.cdx
csChFnd80/02221609172D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (1,607)
2078

>  <Formula> (1,607)
C43H58N4O12

>  <MolWeight> (1,607)
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>  <Item Name> (1,607)
Rifampin

>  <Catalog Number> (1,607)
S1764

>  <Synonyms> (1,607)
Rifampicin

>  <Target> (1,607)
Others

>  <Form> (1,607)
Free Base

>  <URL> (1,607)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (1,607)
13292-46-1

$$$$
Rifapentine.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,608)
2079

>  <Formula> (1,608)
C47H64N4O12

>  <MolWeight> (1,608)
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>  <Item Name> (1,608)
Rifapentine

>  <Catalog Number> (1,608)
S1760

>  <Synonyms> (1,608)
Cyclopentylrifampicin

>  <Target> (1,608)
Others

>  <Form> (1,608)
Free Base

>  <URL> (1,608)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (1,608)
61379-65-5

$$$$
spironolactone.cdx
csChFnd80/02221609172D

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    7.2704    2.0976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0621    9.3829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
 17 18  1  1  0  0  0
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  2 27  2  0  0  0  0
  8 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 19 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,609)
2080

>  <Formula> (1,609)
C24H32O4S

>  <MolWeight> (1,609)
416.57348

>  <Item Name> (1,609)
spironolactone

>  <Catalog Number> (1,609)
S4054

>  <Synonyms> (1,609)
N/A

>  <Target> (1,609)
Androgen Receptor

>  <Form> (1,609)
Free Base

>  <URL> (1,609)
http://www.selleckchem.com/products/spironolactone.html

>  <CAS Number> (1,609)
52-01-7

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/02221609172D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  1 13  1  0  0  0  0
  9 14  1  6  0  0  0
  8 15  1  1  0  0  0
 14 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 14  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,610)
2081

>  <Formula> (1,610)
C15H12O7

>  <MolWeight> (1,610)
304.25158

>  <Item Name> (1,610)
Taxifolin (Dihydroquercetin)

>  <Catalog Number> (1,610)
S2366

>  <Synonyms> (1,610)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (1,610)
Others

>  <Form> (1,610)
Free Base

>  <URL> (1,610)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

>  <CAS Number> (1,610)
480-18-2

$$$$
Terbinafine.cdx
csChFnd80/02221609172D

 22 23  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
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    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8882    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0938    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3016    5.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0945    7.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3062    6.9854    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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,611)
2082

>  <Formula> (1,611)
C21H25N

>  <MolWeight> (1,611)
291.4299

>  <Item Name> (1,611)
Terbinafine

>  <Catalog Number> (1,611)
S1725

>  <Synonyms> (1,611)
Lamisil, Terbinex, Corbinal, Zabel

>  <Target> (1,611)
Others

>  <Form> (1,611)
Free Base

>  <URL> (1,611)
http://www.selleckchem.com/products/Terbinafine(Lamisil).html

>  <CAS Number> (1,611)
91161-71-6

$$$$
Alizapride hydrochloride.cdx
csChFnd80/02221609172D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.5485    2.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5485    4.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8929    2.2200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    4.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9257    4.4808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1077    2.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7295    3.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1082    4.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966    1.9602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8971    4.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6834    2.6606    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
  1  4  1  0  0  0  0
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  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,612)
2083

>  <Formula> (1,612)
C16H22ClN5O2

>  <MolWeight> (1,612)
351.83118

>  <Item Name> (1,612)
Alizapride hydrochloride

>  <Catalog Number> (1,612)
S4257 

>  <Synonyms> (1,612)
N/A

>  <Target> (1,612)
Others

>  <Form> (1,612)
hydrochloride

>  <URL> (1,612)
http://www.selleckchem.com/products/alizapride-hcl.html

>  <CAS Number> (1,612)
59338-87-3

$$$$
Brimonidine Tartrate.cdx
csChFnd80/02221609172D

 27 28  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 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
    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 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
    4.8497    2.1000    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
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6240    3.6428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.8364    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0488    3.6428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0488    2.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8364    0.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  8  9  2  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 10 17  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 13  1  0  0  0  0
 15 14  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  6  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,613)
2084

>  <Formula> (1,613)
C15H16BrN5O6

>  <MolWeight> (1,613)
442.22144

>  <Item Name> (1,613)
Brimonidine Tartrate

>  <Catalog Number> (1,613)
S4266

>  <Synonyms> (1,613)
N/A

>  <Target> (1,613)
Others

>  <Form> (1,613)
Tartrate

>  <URL> (1,613)
http://www.selleckchem.com/products/brimonidine-tartrate.html

>  <CAS Number> (1,613)
70359-46-5

$$$$
Buspirone hydrochloride.cdx
csChFnd80/02221609172D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.9142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.3142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,614)
2085

>  <Formula> (1,614)
C21H32ClN5O2

>  <MolWeight> (1,614)
421.96408

>  <Item Name> (1,614)
Buspirone hydrochloride

>  <Catalog Number> (1,614)
S4256 

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
Others

>  <Form> (1,614)
hydrochloride

>  <URL> (1,614)
http://www.selleckchem.com/products/buspirone-hcl.html

>  <CAS Number> (1,614)
33386-08-2

$$$$
Diacerein.cdx
csChFnd80/02221609172D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,615)
2086

>  <Formula> (1,615)
C19H12O8

>  <MolWeight> (1,615)
368.29378

>  <Item Name> (1,615)
Diacerein

>  <Catalog Number> (1,615)
S4267 

>  <Synonyms> (1,615)
N/A

>  <Target> (1,615)
Others

>  <Form> (1,615)
Free Base

>  <URL> (1,615)
http://www.selleckchem.com/products/diacerein.html

>  <CAS Number> (1,615)
13739-02-1

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/02221609172D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,616)
2087

>  <Formula> (1,616)
C25H32F3N3O4

>  <MolWeight> (1,616)
495.5344896

>  <Item Name> (1,616)
Silodosin

>  <Catalog Number> (1,616)
S1613

>  <Synonyms> (1,616)
N/A

>  <Target> (1,616)
Adrenergic Recepto

>  <Form> (1,616)
Free Base

>  <URL> (1,616)
http://www.selleckchem.com/products/Silodosin(Rapaflo).html

>  <CAS Number> (1,616)
160970-54-7

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/02221609172D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,617)
2088

>  <Formula> (1,617)
C22H29FN3O9P

>  <MolWeight> (1,617)
529.4525242

>  <Item Name> (1,617)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (1,617)
S2794

>  <Synonyms> (1,617)
N/A

>  <Target> (1,617)
DNA/RNA Synthesis

>  <Form> (1,617)
Free Base

>  <URL> (1,617)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (1,617)
1190307-88-0

$$$$
Efaproxiral sodium.cdx
csChFnd80/02221609172D

 26 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,618)
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>  <Formula> (1,618)
C20H22NNaO4

>  <MolWeight> (1,618)
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>  <Item Name> (1,618)
Efaproxiral sodium

>  <Catalog Number> (1,618)
S4263 

>  <Synonyms> (1,618)
N/A

>  <Target> (1,618)
Others

>  <Form> (1,618)
sodium

>  <URL> (1,618)
http://www.selleckchem.com/products/efaproxiral-sodium.html

>  <CAS Number> (1,618)
170787-99-2

$$$$
Etofibrate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,619)
2091

>  <Formula> (1,619)
C18H18ClNO5

>  <MolWeight> (1,619)
363.79222

>  <Item Name> (1,619)
Etofibrate

>  <Catalog Number> (1,619)
S4264 

>  <Synonyms> (1,619)
N/A

>  <Target> (1,619)
Others

>  <Form> (1,619)
Free Base

>  <URL> (1,619)
http://www.selleckchem.com/products/etofibrate.html

>  <CAS Number> (1,619)
31637-97-5

$$$$
Flufenamic acid.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,620)
2092

>  <Formula> (1,620)
C14H10F3NO2

>  <MolWeight> (1,620)
281.2299096

>  <Item Name> (1,620)
Flufenamic acid

>  <Catalog Number> (1,620)
S4268 

>  <Synonyms> (1,620)
N/A

>  <Target> (1,620)
Others

>  <Form> (1,620)
Free Base

>  <URL> (1,620)
http://www.selleckchem.com/products/flufenamic-acid.html

>  <CAS Number> (1,620)
530-78-9

$$$$
Luliconazole.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,621)
2093

>  <Formula> (1,621)
C14H9Cl2N3S2

>  <MolWeight> (1,621)
354.27736

>  <Item Name> (1,621)
Luliconazole

>  <Catalog Number> (1,621)
S4258 

>  <Synonyms> (1,621)
N/A

>  <Target> (1,621)
Others

>  <Form> (1,621)
Free Base

>  <URL> (1,621)
http://www.selleckchem.com/products/luliconazole.html

>  <CAS Number> (1,621)
187164-19-8

$$$$
Nicaraven.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,622)
2094

>  <Formula> (1,622)
C15H16N4O2

>  <MolWeight> (1,622)
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>  <Item Name> (1,622)
Nicaraven

>  <Catalog Number> (1,622)
S4265 

>  <Synonyms> (1,622)
N/A

>  <Target> (1,622)
Others

>  <Form> (1,622)
Free Base

>  <URL> (1,622)
http://www.selleckchem.com/products/nicaraven.html

>  <CAS Number> (1,622)
79455-30-4

$$$$
Tamibarotene.cdx
csChFnd80/02221609172D

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Histone Methyltransferase

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$$$$
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JAK

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937272-79-2

$$$$
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500287-72-9

$$$$
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Sorafenib.cdx
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p97

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Free Base

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http://www.selleckchem.com/products/nms-873.html

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1418013-75-8

$$$$
Caffeic acid phenethyl ester(CAPE).cdx
csChFnd80/02221609172D

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

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104594-70-9

$$$$
LGK-974.cdx
csChFnd80/02221609172D

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1243244-14-5

$$$$
Doxycycline hyclate.cdx
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$$$$
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Telotristat Etiprate

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11137608-69-5

$$$$
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$$$$
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No

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522629-08-9

$$$$
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M  END
>  <Mol_ID> (1,711)
2201

>  <Formula> (1,711)
C53H66N4O20

>  <MolWeight> (1,711)
1079.10594

>  <Item Name> (1,711)
Vinorelbine Tartrate

>  <Catalog Number> (1,711)
S4269

>  <Synonyms> (1,711)
N/A

>  <Target> (1,711)
Microtubule Associated

>  <Form> (1,711)
Salt

>  <URL> (1,711)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (1,711)
125317-39-7

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,712)
2202

>  <Formula> (1,712)
C15H26N2O5

>  <MolWeight> (1,712)
314.37734

>  <Item Name> (1,712)
Loxistatin Acid (E-64C)

>  <Catalog Number> (1,712)
S7392

>  <Synonyms> (1,712)
NSC 694279, EP 475

>  <Target> (1,712)
Cysteine Protease

>  <Form> (1,712)
Free Base

>  <URL> (1,712)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

>  <CAS Number> (1,712)
76684-89-4

$$$$
Trelagliptin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,713)
2205

>  <Formula> (1,713)
C18H20FN5O2

>  <MolWeight> (1,713)
357.3821032

>  <Item Name> (1,713)
Trelagliptin

>  <Catalog Number> (1,713)
S7513

>  <Synonyms> (1,713)
SYR-472

>  <Target> (1,713)
DPP-4

>  <Form> (1,713)
Free Base

>  <URL> (1,713)
http://www.selleckchem.com/products/trelagliptin.html

>  <CAS Number> (1,713)
865759-25-7

$$$$
PU-H71.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,714)
2206

>  <Formula> (1,714)
C18H21IN6O2S

>  <MolWeight> (1,714)
512.36781

>  <Item Name> (1,714)
PU-H71

>  <Catalog Number> (1,714)
S8039

>  <Synonyms> (1,714)
NSC 750424

>  <Target> (1,714)
HSP 

>  <Form> (1,714)
Free Base

>  <URL> (1,714)
http://www.selleckchem.com/products/pu-h71.html

>  <CAS Number> (1,714)
873436-91-0

$$$$
NMS-E973.cdx
csChFnd80/02221609172D

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1357302-64-7

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Histone Acetyltransferase

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1246529-32-7

$$$$
Ascomycin (FK 520, FR 900520, Immunomycin).cdx
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>  <URL> (1,721)
http://www.selleckchem.com/products/ascomycin-fk520.html

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104987-12-4

$$$$
GNF-5.cdx
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Bcr-Abl

>  <Form> (1,722)
Free Base

>  <URL> (1,722)
http://www.selleckchem.com/products/gnf-5.html

>  <CAS Number> (1,722)
778277-15-9

$$$$
KN-62.cdx
csChFnd80/02221609172D

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C38H35N5O6S2

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KN-62

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>  <Synonyms> (1,723)
N/A

>  <Target> (1,723)
Others

>  <Form> (1,723)
Free Base

>  <URL> (1,723)
http://www.selleckchem.com/products/kn-62.html

>  <CAS Number> (1,723)
127191-97-3

$$$$
LM-3086.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,724)
2217

>  <Formula> (1,724)
C17H12N2O

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260.28998

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PFK15

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S7289

>  <Synonyms> (1,724)
PFK-015

>  <Target> (1,724)
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Free Base

>  <URL> (1,724)
http://www.selleckchem.com/products/pfk15.html

>  <CAS Number> (1,724)
4382-63-2

$$$$
Voreloxin  SNS-595.cdx
csChFnd80/02221609172D

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>  <Formula> (1,725)
C18H19N5O4S

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>  <Item Name> (1,725)
Voreloxin (SNS-595)

>  <Catalog Number> (1,725)
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>  <Synonyms> (1,725)
Vosaroxin

>  <Target> (1,725)
Topoisomerase

>  <Form> (1,725)
Free Base

>  <URL> (1,725)
http://www.selleckchem.com/products/voreloxin-sns-595.html

>  <CAS Number> (1,725)
175414-77-4

$$$$
Tenovin-6 HCl.cdx
csChFnd80/02221609172D

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p53

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HCl salt

>  <URL> (1,726)
http://www.selleckchem.com/products/tenovin-6.html

>  <CAS Number> (1,726)
1011557-82-6

$$$$
Almorexant HCl.cdx
csChFnd80/02221609172D

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Almorexant HCl

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>  <Synonyms> (1,727)
N/A

>  <Target> (1,727)
OX Receptor

>  <URL> (1,727)
http://www.selleckchem.com/products/almorexant-hcl.html

>  <CAS Number> (1,727)
913358-93-7

$$$$
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PI3K

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Free Base

>  <URL> (1,728)
http://www.selleckchem.com/products/hs-173.html

>  <CAS Number> (1,728)
1276110-06-5

$$$$
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http://www.selleckchem.com/products/gsk923295.html

>  <CAS Number> (1,729)
1088965-37-0

$$$$
Z-FA-FMK.cdx
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356057-34-6

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1493764-08-1

$$$$
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M  END
>  <Mol_ID> (1,749)
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C17H14Br3N5OS

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PTC-209 HBr

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S7539

>  <Synonyms> (1,749)
N/A

>  <Target> (1,749)
Others

>  <Form> (1,749)
Free Base

>  <URL> (1,749)
http://www.selleckchem.com/products/ptc-209-hbr.html

>  <CAS Number> (1,749)
1217022-63-3

$$$$
CX-6258 HCl .cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,750)
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>  <Formula> (1,750)
C26H25Cl2N3O3

>  <MolWeight> (1,750)
498.401

>  <Item Name> (1,750)
CX-6258 HCl

>  <Catalog Number> (1,750)
S7041

>  <Synonyms> (1,750)
N/A

>  <Target> (1,750)
Pim

>  <Form> (1,750)
Salt

>  <URL> (1,750)
http://www.selleckchem.com/products/CX-6258.html

>  <CAS Number> (1,750)
1353859-00-3

$$$$
EHT 1864.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,751)
2245

>  <Formula> (1,751)
C25H29Cl2F3N2O4S

>  <MolWeight> (1,751)
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>  <Item Name> (1,751)
EHT 1864

>  <Catalog Number> (1,751)
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>  <Synonyms> (1,751)
N/A

>  <Target> (1,751)
Rho

>  <Form> (1,751)
Salt

>  <URL> (1,751)
http://www.selleckchem.com/products/eht-1864.html

>  <CAS Number> (1,751)
754240-09-0

$$$$
EMD 1214063.cdx
csChFnd80/02221609172D

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1001753-24-7

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M  END
>  <Mol_ID> (1,761)
2256

>  <Formula> (1,761)
C22H26N4O3

>  <MolWeight> (1,761)
394.46684

>  <Item Name> (1,761)
PI-1840

>  <Catalog Number> (1,761)
S7462

>  <Synonyms> (1,761)
N/A

>  <Target> (1,761)
Proteasome

>  <Form> (1,761)
Free Base

>  <URL> (1,761)
http://www.selleckchem.com/products/pi-1840.html

>  <CAS Number> (1,761)
1401223-22-0

$$$$
(-)-p-Bromotetramisole oxalate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,762)
2257

>  <Formula> (1,762)
C13H13BrN2O4S

>  <MolWeight> (1,762)
373.22232

>  <Item Name> (1,762)
(-)-p-Bromotetramisole Oxalate

>  <Catalog Number> (1,762)
S7383

>  <Synonyms> (1,762)
L-p-Bromotetramisole Oxalate

>  <Target> (1,762)
Others

>  <Form> (1,762)
Free Base

>  <URL> (1,762)
http://www.selleckchem.com/products/--p-Bromotetramisole-Oxalate.html

>  <CAS Number> (1,762)
62284-79-1

$$$$
AEBSF hydrochloride .cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,763)
2258

>  <Formula> (1,763)
C8H11ClFNO2S

>  <MolWeight> (1,763)
239.6948432

>  <Item Name> (1,763)
AEBSF HCl

>  <Catalog Number> (1,763)
S7378

>  <Synonyms> (1,763)
N/A

>  <Target> (1,763)
Serine Protease

>  <Form> (1,763)
Salt

>  <URL> (1,763)
http://www.selleckchem.com/products/aebsf-hcl.html

>  <CAS Number> (1,763)
30827-99-7

$$$$
MALT1 inhibitor.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,764)
2261

>  <Formula> (1,764)
C19H17Cl3N4O3

>  <MolWeight> (1,764)
455.72228

>  <Item Name> (1,764)
MI-2 (MALT1 inhibitor)

>  <Catalog Number> (1,764)
S7429

>  <Synonyms> (1,764)
N/A

>  <Target> (1,764)
Others

>  <Form> (1,764)
Free Base

>  <URL> (1,764)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

>  <CAS Number> (1,764)
1047953-91-2

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,765)
2262

>  <Formula> (1,765)
C19H20F3IN2O5S

>  <MolWeight> (1,765)
572.3371796

>  <Item Name> (1,765)
Refametinib (RDEA119, Bay 86-9766)

>  <Catalog Number> (1,765)
S1089

>  <Synonyms> (1,765)
BAY 869766

>  <Target> (1,765)
MEK

>  <Form> (1,765)
Free Base

>  <URL> (1,765)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

>  <CAS Number> (1,765)
923032-37-5

$$$$
TAPI-1.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,775)
2276

>  <Formula> (1,775)
C28H30F2N2O2

>  <MolWeight> (1,775)
464.5468064

>  <Item Name> (1,775)
HO-3867

>  <Catalog Number> (1,775)
S7501

>  <Synonyms> (1,775)
N/A

>  <Target> (1,775)
STAT

>  <Form> (1,775)
Free Base

>  <URL> (1,775)
http://www.selleckchem.com/products/ho-3867.html

>  <CAS Number> (1,775)
1172133-28-6

$$$$
Meclofenoxate HCl.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,776)
2277

>  <Formula> (1,776)
C12H17Cl2NO3

>  <MolWeight> (1,776)
294.17428

>  <Item Name> (1,776)
Meclofenoxate (Centrophenoxine) HCl

>  <Catalog Number> (1,776)
S4280

>  <Synonyms> (1,776)
N/A

>  <Target> (1,776)
Others

>  <Form> (1,776)
Salt

>  <URL> (1,776)
http://www.selleckchem.com/products/meclofenoxate-centrophenoxine-hci.html

>  <CAS Number> (1,776)
3685-84-5

$$$$
GNE7915.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,777)
2278

>  <Formula> (1,777)
C19H21F4N5O3

>  <MolWeight> (1,777)
443.3953528

>  <Item Name> (1,777)
GNE-7915

>  <Catalog Number> (1,777)
S7528

>  <Synonyms> (1,777)
N/A

>  <Target> (1,777)
Others

>  <Form> (1,777)
Free Base

>  <URL> (1,777)
http://www.selleckchem.com/products/gne-7915.html

>  <CAS Number> (1,777)
1351761-44-8

$$$$
Ospemifene.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,778)
2280

>  <Formula> (1,778)
C24H23ClO2

>  <MolWeight> (1,778)
378.89122

>  <Item Name> (1,778)
Ospemifene

>  <Catalog Number> (1,778)
S4285

>  <Synonyms> (1,778)
N/A

>  <Target> (1,778)
Estrogen/progestogen Receptor

>  <Form> (1,778)
Free Base

>  <URL> (1,778)
http://www.selleckchem.com/products/ospemifene.html

>  <CAS Number> (1,778)
128607-22-7

$$$$
Etizolam.cdx
csChFnd80/02221609172D

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C17H15ClN4S

>  <MolWeight> (1,779)
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>  <Item Name> (1,779)
Etizolam

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S4276

>  <Synonyms> (1,779)
N/A

>  <Target> (1,779)
Others

>  <Form> (1,779)
Free Base

>  <URL> (1,779)
http://www.selleckchem.com/products/etizolam.html

>  <CAS Number> (1,779)
40054-69-1

$$$$
PD173955 .cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,780)
2282

>  <Formula> (1,780)
C21H18Cl2N4OS

>  <MolWeight> (1,780)
445.36482

>  <Item Name> (1,780)
PD173955

>  <Catalog Number> (1,780)
S7269

>  <Synonyms> (1,780)
N/A 

>  <Target> (1,780)
Bcr-Abl

>  <Form> (1,780)
Free Base

>  <URL> (1,780)
http://www.selleckchem.com/products/pd173955.html

>  <CAS Number> (1,780)
260415-63-2

$$$$
Nelfinavir mesylate .cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,781)
2283

>  <Formula> (1,781)
C33H49N3O7S2

>  <MolWeight> (1,781)
663.88806

>  <Item Name> (1,781)
Nelfinavir Mesylate

>  <Catalog Number> (1,781)
S4282

>  <Synonyms> (1,781)
N/A

>  <Target> (1,781)
HIV Protease

>  <Form> (1,781)
Salt

>  <URL> (1,781)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (1,781)
159989-65-8

$$$$
Chloroprocaine hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,782)
2285

>  <Formula> (1,782)
C13H20Cl2N2O2

>  <MolWeight> (1,782)
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>  <Item Name> (1,782)
Chloroprocaine HCl

>  <Catalog Number> (1,782)
S4284

>  <Synonyms> (1,782)
N/A

>  <Target> (1,782)
Others

>  <Form> (1,782)
Salt

>  <URL> (1,782)
http://www.selleckchem.com/products/chloroprocaine-hci.html

>  <CAS Number> (1,782)
3858-89-7

$$$$
Carteolol hydrochloride.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,783)
2286

>  <Formula> (1,783)
C16H25ClN2O3

>  <MolWeight> (1,783)
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>  <Item Name> (1,783)
Carteolol HCl

>  <Catalog Number> (1,783)
S4278

>  <Synonyms> (1,783)
N/A

>  <Target> (1,783)
Adrenergic Receptor

>  <Form> (1,783)
Salt

>  <URL> (1,783)
http://www.selleckchem.com/products/carteolol-hci.html

>  <CAS Number> (1,783)
51781-21-6

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,784)
2287

>  <Formula> (1,784)
C21H22Cl2N2O8

>  <MolWeight> (1,784)
501.31398

>  <Item Name> (1,784)
Demeclocycline HCl

>  <Catalog Number> (1,784)
S4279

>  <Synonyms> (1,784)
N/A

>  <Target> (1,784)
Others

>  <Form> (1,784)
Salt

>  <URL> (1,784)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (1,784)
64-73-3

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/02221609172D

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M  CFW  17 B_NG_STER 2
M  END
>  <Mol_ID> (1,785)
2288

>  <Formula> (1,785)
C20H22ClN

>  <MolWeight> (1,785)
311.84838

>  <Item Name> (1,785)
Cyclobenzaprine HCl

>  <Catalog Number> (1,785)
S4283

>  <Synonyms> (1,785)
N/A

>  <Target> (1,785)
Others

>  <Form> (1,785)
Salt

>  <URL> (1,785)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (1,785)
6202-23-9

$$$$
SB-3CT.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,786)
2290

>  <Formula> (1,786)
C15H14O3S2

>  <MolWeight> (1,786)
306.39986

>  <Item Name> (1,786)
SB-3CT

>  <Catalog Number> (1,786)
S7430

>  <Synonyms> (1,786)
N/A

>  <Target> (1,786)
MMP

>  <Form> (1,786)
Free Base

>  <URL> (1,786)
http://www.selleckchem.com/products/sb-3ct.html

>  <CAS Number> (1,786)
292605-14-2

$$$$
Anidulafungin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,787)
2291

>  <Formula> (1,787)
C58H73N7O17

>  <MolWeight> (1,787)
1140.23692

>  <Item Name> (1,787)
Anidulafungin (LY303366)

>  <Catalog Number> (1,787)
S4286

>  <Synonyms> (1,787)
N/A

>  <Target> (1,787)
Others

>  <Form> (1,787)
Free Base

>  <URL> (1,787)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (1,787)
166663-25-8

$$$$
Chloroambucil.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,788)
2292

>  <Formula> (1,788)
C14H19Cl2NO2

>  <MolWeight> (1,788)
304.21216

>  <Item Name> (1,788)
Chloroambucil

>  <Catalog Number> (1,788)
S4288

>  <Synonyms> (1,788)
Chlorambucil

>  <Target> (1,788)
DNA/RNA Synthesis

>  <Form> (1,788)
Free Base

>  <URL> (1,788)
http://www.selleckchem.com/products/chloroambucil.html

>  <CAS Number> (1,788)
305-03-3

$$$$
Bambuterol HCl.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,789)
2293

>  <Formula> (1,789)
C18H30ClN3O5

>  <MolWeight> (1,789)
403.9009

>  <Item Name> (1,789)
Bambuterol HCl

>  <Catalog Number> (1,789)
S4277

>  <Synonyms> (1,789)
N/A

>  <Target> (1,789)
Adrenergic Receptor

>  <Form> (1,789)
Salt

>  <URL> (1,789)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (1,789)
81732-46-9

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,790)
2294

>  <Formula> (1,790)
C16H21ClIN3O4S

>  <MolWeight> (1,790)
513.77811

>  <Item Name> (1,790)
K-Ras(G12C) inhibitor 9

>  <Catalog Number> (1,790)
S7332

>  <Synonyms> (1,790)
N/A

>  <Target> (1,790)
Rho

>  <Form> (1,790)
Free Base

>  <URL> (1,790)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

>  <CAS Number> (1,790)
1469337-91-4

$$$$
SH-4-54.cdx
csChFnd80/02221609172D

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STAT

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Free Base

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http://www.selleckchem.com/products/sh-4-54.html

>  <CAS Number> (1,791)
1456632-40-8

$$$$
Promethazine hydrochloride.cdx
csChFnd80/02221609172D

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C17H21ClN2S

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Promethazine HCl

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S4293

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N/A

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Histamine Receptor

>  <Form> (1,792)
Salt

>  <URL> (1,792)
http://www.selleckchem.com/products/promethazine-hcl.html

>  <CAS Number> (1,792)
58-33-3

$$$$
GDC0994.cdx
csChFnd80/02221609172D

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C21H18ClFN6O2

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GDC-0994

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>  <Target> (1,793)
ERK

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Free Base

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

>  <CAS Number> (1,793)
1453848-26-4

$$$$
MetoclopraMide HCl.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,794)
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>  <Formula> (1,794)
C14H23Cl2N3O2

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>  <Item Name> (1,794)
MetoclopraMide HCl

>  <Catalog Number> (1,794)
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>  <Synonyms> (1,794)
N/A

>  <Target> (1,794)
Dopamine Receptor

>  <Form> (1,794)
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http://www.selleckchem.com/products/metoclopramide-hcl.html

>  <CAS Number> (1,794)
7232-21-5

$$$$
Zotarolimus.cdx
csChFnd80/02221609172D

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Dopamine Receptor

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>  <URL> (1,796)
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99755-59-6

$$$$
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csChFnd80/02221609172D

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http://www.selleckchem.com/products/pd-151746.html

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179461-52-0

$$$$
Go6976.cdx
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PKC

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136194-77-9

$$$$
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M  END
>  <Mol_ID> (1,799)
2304

>  <Formula> (1,799)
C32H36N6O4

>  <MolWeight> (1,799)
568.66604

>  <Item Name> (1,799)
WH-4-023

>  <Catalog Number> (1,799)
S7565

>  <Synonyms> (1,799)
KIN001-112

>  <Target> (1,799)
Src

>  <Form> (1,799)
Free Base

>  <URL> (1,799)
http://www.selleckchem.com/products/wh-4-023.html

>  <CAS Number> (1,799)
837422-57-8

$$$$
N6022.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,800)
2305

>  <Formula> (1,800)
C24H22N4O3

>  <MolWeight> (1,800)
414.45648

>  <Item Name> (1,800)
N6022

>  <Catalog Number> (1,800)
S7589

>  <Synonyms> (1,800)
N/A

>  <Target> (1,800)
Others

>  <Form> (1,800)
Free Base

>  <URL> (1,800)
http://www.selleckchem.com/products/n6022.html

>  <CAS Number> (1,800)
1208315-24-5

$$$$
Diphenidol hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,801)
2306

>  <Formula> (1,801)
C21H28ClNO

>  <MolWeight> (1,801)
345.90612

>  <Item Name> (1,801)
Diphenidol HCl

>  <Catalog Number> (1,801)
S4292

>  <Synonyms> (1,801)
N/A

>  <Target> (1,801)
AChR

>  <Form> (1,801)
Salt

>  <URL> (1,801)
http://www.selleckchem.com/products/diphenidol-hcl.html

>  <CAS Number> (1,801)
3254-89-5

$$$$
Phosphoramidon disodium salt.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,802)
2307

>  <Formula> (1,802)
C23H34N3Na2O10P

>  <MolWeight> (1,802)
589.483461

>  <Item Name> (1,802)
Phosphoramidon Disodium Salt

>  <Catalog Number> (1,802)
S7382

>  <Synonyms> (1,802)
N/A

>  <Target> (1,802)
Others

>  <Form> (1,802)
Salt

>  <URL> (1,802)
http://www.selleckchem.com/products/phosphoramidon-disodium-salt.html

>  <CAS Number> (1,802)
164204-38-0

$$$$
Digoxin .cdx
csChFnd80/02221609172D

 61 68  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,803)
2308

>  <Formula> (1,803)
C41H64O14

>  <MolWeight> (1,803)
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>  <Item Name> (1,803)
Digoxin

>  <Catalog Number> (1,803)
S4290

>  <Synonyms> (1,803)
N/A

>  <Target> (1,803)
Sodium Channel

>  <Form> (1,803)
Free Base

>  <URL> (1,803)
http://www.selleckchem.com/products/digoxin.html

>  <CAS Number> (1,803)
20830-75-5

$$$$
Dicoumarol.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,804)
2309

>  <Formula> (1,804)
C19H12O6

>  <MolWeight> (1,804)
336.29498

>  <Item Name> (1,804)
Dicoumarol

>  <Catalog Number> (1,804)
S4299

>  <Synonyms> (1,804)
Dicumarol

>  <Target> (1,804)
Others

>  <Form> (1,804)
Free Base

>  <URL> (1,804)
http://www.selleckchem.com/products/dicoumarol.html

>  <CAS Number> (1,804)
66-76-2

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,805)
2310

>  <Formula> (1,805)
C19H17NO3

>  <MolWeight> (1,805)
307.34318

>  <Item Name> (1,805)
SF1670 (PTEN inhibitor)

>  <Catalog Number> (1,805)
S7310

>  <Synonyms> (1,805)
N/A

>  <Target> (1,805)
Others

>  <Form> (1,805)
Free Base

>  <URL> (1,805)
http://www.selleckchem.com/products/sf1670.html

>  <CAS Number> (1,805)
345630-40-2

$$$$
IM-12.cdx
csChFnd80/02221609172D

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2311

>  <Formula> (1,806)
C22H20FN3O2

>  <MolWeight> (1,806)
377.4115032

>  <Item Name> (1,806)
IM-12

>  <Catalog Number> (1,806)
S7566

>  <Synonyms> (1,806)
N/A

>  <Target> (1,806)
GSK-3

>  <Form> (1,806)
Free Base

>  <URL> (1,806)
http://www.selleckchem.com/products/im-12.html

>  <CAS Number> (1,806)
1129669-05-1

$$$$
Procainamide hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,807)
2312

>  <Formula> (1,807)
C13H22ClN3O

>  <MolWeight> (1,807)
271.78628

>  <Item Name> (1,807)
Procainamide HCl

>  <Catalog Number> (1,807)
S4294

>  <Synonyms> (1,807)
N/A

>  <Target> (1,807)
Sodium Channel

>  <Form> (1,807)
Salt

>  <URL> (1,807)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (1,807)
614-39-1

$$$$
Labetalol hydrochloride.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,808)
2313

>  <Formula> (1,808)
C19H25ClN2O3

>  <MolWeight> (1,808)
364.8664

>  <Item Name> (1,808)
Labetalol HCl

>  <Catalog Number> (1,808)
S4291

>  <Synonyms> (1,808)
N/A

>  <Target> (1,808)
Adrenergic Receptor

>  <Form> (1,808)
Salt

>  <URL> (1,808)
http://www.selleckchem.com/products/labetalol-hcl.html

>  <CAS Number> (1,808)
32780-64-6

$$$$
deltarasin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,809)
2314

>  <Formula> (1,809)
C40H37N5O

>  <MolWeight> (1,809)
603.75468

>  <Item Name> (1,809)
Deltarasin

>  <Catalog Number> (1,809)
S7224

>  <Synonyms> (1,809)
N/A

>  <Target> (1,809)
PDE

>  <Form> (1,809)
Free Base

>  <URL> (1,809)
http://www.selleckchem.com/products/deltarasin.html

>  <CAS Number> (1,809)
1440898-61-2

$$$$
 Optovin.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,810)
2315

>  <Formula> (1,810)
C15H13N3OS2

>  <MolWeight> (1,810)
315.41322

>  <Item Name> (1,810)
Optovin

>  <Catalog Number> (1,810)
S8073

>  <Synonyms> (1,810)
N/A

>  <Target> (1,810)
Others

>  <Form> (1,810)
Free Base

>  <URL> (1,810)
http://www.selleckchem.com/products/optovin.html

>  <CAS Number> (1,810)
348575-88-2

$$$$
Meclofenamate sodium.cdx
csChFnd80/02221609172D

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    8.4870    2.8000    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
    2.4249    6.3000    0.0000 Na  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
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  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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 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  6 16  1  0  0  0  0
  4 17  1  0  0  0  0
  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> (1,811)
2317

>  <Formula> (1,811)
C14H10Cl2NNaO2

>  <MolWeight> (1,811)
318.13047

>  <Item Name> (1,811)
Meclofenamate sodium

>  <Catalog Number> (1,811)
S4295

>  <Synonyms> (1,811)
N/A

>  <Target> (1,811)
COX

>  <Form> (1,811)
Free Base

>  <URL> (1,811)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (1,811)
6385-02-0

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/02221609172D

 28 29  0  0  0  0  0  0  0  0999 V2000
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    1.3908    7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    4.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0257    6.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3908    9.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5092    3.9653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  6  0  0  0
M  END
>  <Mol_ID> (1,812)
2318

>  <Formula> (1,812)
C17H17ClF6N2O

>  <MolWeight> (1,812)
414.7730992

>  <Item Name> (1,812)
Mefloquine HCl

>  <Catalog Number> (1,812)
S4420

>  <Synonyms> (1,812)
N/A

>  <Target> (1,812)
Others

>  <Form> (1,812)
Salt

>  <URL> (1,812)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (1,812)
51773-92-3

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/02221609172D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  2  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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    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    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    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
  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
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16  8  1  1  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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 18 26  2  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,813)
2319

>  <Formula> (1,813)
C20H18FN5O2

>  <MolWeight> (1,813)
379.3876232

>  <Item Name> (1,813)
HSP990 (NVP-HSP990)

>  <Catalog Number> (1,813)
S7097

>  <Synonyms> (1,813)
N/A

>  <Target> (1,813)
HSP (e.g. HSP90)

>  <Form> (1,813)
Free Base

>  <URL> (1,813)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

>  <CAS Number> (1,813)
934343-74-5

$$$$
3-deazaneplanocin A (DZNeP).cdx
csChFnd80/02221609172D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  1  0  0  0
 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  6  0  0  0
 15 19  1  6  0  0  0
M  END
>  <Mol_ID> (1,814)
2320

>  <Formula> (1,814)
C12H15ClN4O3

>  <MolWeight> (1,814)
298.7255

>  <Item Name> (1,814)
3-deazaneplanocin A (DZNeP) HCl

>  <Catalog Number> (1,814)
S7120

>  <Synonyms> (1,814)
N/A

>  <Target> (1,814)
Histone Methyltransferase

>  <Form> (1,814)
Free Base

>  <URL> (1,814)
http://www.selleckchem.com/products/3-deazaneplanocin-a-dznep.html

>  <CAS Number> (1,814)
120964-45-6

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/02221609172D

 86 85  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,815)
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>  <Formula> (1,815)
C64H110N6O16

>  <MolWeight> (1,815)
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>  <Item Name> (1,815)
Aliskiren Hemifumarate

>  <Catalog Number> (1,815)
S2199

>  <Synonyms> (1,815)
N/A

>  <Target> (1,815)
RAAS

>  <Form> (1,815)
Free Base

>  <URL> (1,815)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (1,815)
173334-58-2

$$$$
Bepotastine besilate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,816)
2322

>  <Formula> (1,816)
C27H31ClN2O6S

>  <MolWeight> (1,816)
547.06284

>  <Item Name> (1,816)
Bepotastine Besilate

>  <Catalog Number> (1,816)
S3037

>  <Synonyms> (1,816)
N/A

>  <Target> (1,816)
Histamine Receptor

>  <Form> (1,816)
Free Base

>  <URL> (1,816)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (1,816)
190786-44-8

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,817)
2324

>  <Formula> (1,817)
C24H25ClFN5O3

>  <MolWeight> (1,817)
485.9384032

>  <Item Name> (1,817)
Afatinib (BIBW2992)

>  <Catalog Number> (1,817)
S1011

>  <Synonyms> (1,817)
N/A

>  <Target> (1,817)
EGFR

>  <Form> (1,817)
Free Base

>  <URL> (1,817)
http://www.selleckchem.com/products/BIBW2992.html

>  <CAS Number> (1,817)
439081-18-2

$$$$
Caspofungin acetate.cdx
csChFnd80/02221609172D

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Caspofungin Acetate

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S3073

>  <Synonyms> (1,818)
N/A

>  <Target> (1,818)
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>  <Form> (1,818)
Free Base

>  <URL> (1,818)
http://www.selleckchem.com/products/caspofungin-acetate.html

>  <CAS Number> (1,818)
179463-17-3

$$$$
Doripenem Hydrate.cdx
csChFnd80/02221609172D

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>  <Item Name> (1,819)
Doripenem Hydrate

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S1374

>  <Synonyms> (1,819)
S-4661

>  <Target> (1,819)
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>  <Form> (1,819)
Free Base

>  <URL> (1,819)
http://www.selleckchem.com/products/Doripenem-Hydrate.html

>  <CAS Number> (1,819)
364622-82-2

$$$$
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csChFnd80/02221609172D

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  9 10  2  0  0  0  0
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 20 21  1  0  0  0  0
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 35 36  1  0  0  0  0
 33 37  2  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (1,820)
2328

>  <Formula> (1,820)
C30H41NO7

>  <MolWeight> (1,820)
527.64904

>  <Item Name> (1,820)
Fesoterodine Fumarate

>  <Catalog Number> (1,820)
S2240

>  <Synonyms> (1,820)
N/A

>  <Target> (1,820)
AChR

>  <Form> (1,820)
Free Base

>  <URL> (1,820)
http://www.selleckchem.com/products/Fesoterodine-fumarate-Toviaz.html

>  <CAS Number> (1,820)
286930-03-8

$$$$
Fosaprepitant dimeglumine.cdx
csChFnd80/02221609172D

 67 68  0  0  0  0  0  0  0  0999 V2000
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   22.0412    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 49 50  1  0  0  0  0
 48 51  1  1  0  0  0
 47 52  1  6  0  0  0
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 58 67  1  6  0  0  0
M  END
>  <Mol_ID> (1,821)
2329

>  <Formula> (1,821)
C37H56F7N6O16P

>  <MolWeight> (1,821)
1004.8337234

>  <Item Name> (1,821)
Fosaprepitant dimeglumine salt

>  <Catalog Number> (1,821)
S3038

>  <Synonyms> (1,821)
MK-0517

>  <Target> (1,821)
Others

>  <Form> (1,821)
Salt

>  <URL> (1,821)
http://www.selleckchem.com/products/fosaprepitant.html

>  <CAS Number> (1,821)
265121-04-8

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/02221609172D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1583    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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 26 21  1  0  0  0  0
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  9 28  1  1  0  0  0
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 24 30  1  0  0  0  0
 16 31  1  6  0  0  0
M  END
>  <Mol_ID> (1,822)
2332

>  <Formula> (1,822)
C22H26ClF2NO4

>  <MolWeight> (1,822)
441.8959464

>  <Item Name> (1,822)
Nebivolol

>  <Catalog Number> (1,822)
S1549

>  <Synonyms> (1,822)
N/A

>  <Target> (1,822)
Adrenergic Receptor

>  <Form> (1,822)
Free Base

>  <URL> (1,822)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (1,822)
152520-56-4

$$$$
Ouabain Octahydrate.cdx
csChFnd80/02221609172D

 51 48  0  0  0  0  0  0  0  0999 V2000
    9.0948    4.5316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.0453    4.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8118    3.7682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,823)
2333

>  <Formula> (1,823)
C29H60O20

>  <MolWeight> (1,823)
728.7747

>  <Item Name> (1,823)
Ouabain

>  <Catalog Number> (1,823)
S4016

>  <Synonyms> (1,823)
N/A

>  <Target> (1,823)
Sodium Channel

>  <Form> (1,823)
Free Base

>  <URL> (1,823)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (1,823)
630-60-4

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,824)
2334

>  <Formula> (1,824)
C44H69NO12

>  <MolWeight> (1,824)
804.01816

>  <Item Name> (1,824)
Tacrolimus (FK506)

>  <Catalog Number> (1,824)
S5003

>  <Synonyms> (1,824)
FR900506

>  <Target> (1,824)
Others

>  <Form> (1,824)
Free Base

>  <URL> (1,824)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

>  <CAS Number> (1,824)
104987-11-3

$$$$
Rosuvastatin calcium.cdx
csChFnd80/02221609172D

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941678-49-5

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162635-04-3

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M  END
>  <Mol_ID> (1,837)
2352

>  <Formula> (1,837)
C19H19N3O2

>  <MolWeight> (1,837)
321.37306

>  <Item Name> (1,837)
PFI-3

>  <Catalog Number> (1,837)
S7315

>  <Synonyms> (1,837)
N/A

>  <Target> (1,837)
Epigenetic Reader Domain

>  <Form> (1,837)
Free Base

>  <URL> (1,837)
http://www.selleckchem.com/products/pfi-3.html

$$$$
Erythromycin cyclocarbonate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,838)
2353

>  <Formula> (1,838)
C38H65NO14

>  <MolWeight> (1,838)
759.921

>  <Item Name> (1,838)
Erythromycin Cyclocarbonate

>  <Catalog Number> (1,838)
S7550

>  <Synonyms> (1,838)
N/A

>  <Target> (1,838)
Others

>  <Form> (1,838)
Free Base

>  <URL> (1,838)
http://www.selleckchem.com/products/erythromycin-cyclocarbonate.html

>  <CAS Number> (1,838)
55224-05-0

$$$$
LCL161.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,839)
2355

>  <Formula> (1,839)
C26H33FN4O3S

>  <MolWeight> (1,839)
500.6286232

>  <Item Name> (1,839)
LCL161

>  <Catalog Number> (1,839)
S7009

>  <Synonyms> (1,839)
N/A

>  <Target> (1,839)
IAP

>  <Form> (1,839)
Free Base

>  <URL> (1,839)
http://www.selleckchem.com/products/lcl161.html

>  <CAS Number> (1,839)
1005342-46-0

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,840)
2356

>  <Formula> (1,840)
C15H17ClIN3O3

>  <MolWeight> (1,840)
449.67125

>  <Item Name> (1,840)
K-Ras(G12C) inhibitor 12

>  <Catalog Number> (1,840)
S7331

>  <Synonyms> (1,840)
N/A

>  <Target> (1,840)
Rho

>  <Form> (1,840)
Free Base

>  <URL> (1,840)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

>  <CAS Number> (1,840)
1469337-95-8

$$$$
Tasquinimod .cdx
csChFnd80/02221609172D

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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,841)
2357

>  <Formula> (1,841)
C20H17F3N2O4

>  <MolWeight> (1,841)
406.3551896

>  <Item Name> (1,841)
Tasquinimod

>  <Catalog Number> (1,841)
S7617

>  <Synonyms> (1,841)
ABR-215050

>  <Target> (1,841)
HDAC

>  <Form> (1,841)
Free Base

>  <URL> (1,841)
http://www.selleckchem.com/products/tasquinimod.html

>  <CAS Number> (1,841)
254964-60-8

$$$$
AGK 2.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,842)
2358

>  <Formula> (1,842)
C23H13Cl2N3O2

>  <MolWeight> (1,842)
434.27422

>  <Item Name> (1,842)
AGK2

>  <Catalog Number> (1,842)
S7577

>  <Synonyms> (1,842)
N/A

>  <Target> (1,842)
Sirtuin

>  <Form> (1,842)
Free Base

>  <URL> (1,842)
http://www.selleckchem.com/products/agk2.html

>  <CAS Number> (1,842)
304896-28-4

$$$$
Anacardic Acid.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,843)
2359

>  <Formula> (1,843)
C22H36O3

>  <MolWeight> (1,843)
348.51944

>  <Item Name> (1,843)
Anacardic Acid

>  <Catalog Number> (1,843)
S7582

>  <Synonyms> (1,843)
6-pentadecylsalicylic Acid

>  <Target> (1,843)
Histone Acetyltransferase

>  <Form> (1,843)
Free Base

>  <URL> (1,843)
http://www.selleckchem.com/products/anacardic-acid.html

>  <CAS Number> (1,843)
16611-84-0

$$$$
Abscisic acid.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,844)
2360

>  <Formula> (1,844)
C15H20O4

>  <MolWeight> (1,844)
264.3169

>  <Item Name> (1,844)
Abscisic Acid (Dormin)

>  <Catalog Number> (1,844)
S7594

>  <Synonyms> (1,844)
Abscisin II

>  <Target> (1,844)
Others

>  <Form> (1,844)
Free Base

>  <URL> (1,844)
http://www.selleckchem.com/products/abscisic-acid-dormin.html

>  <CAS Number> (1,844)
21293-29-8

$$$$
Salmeterol xinafoate.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,845)
2361

>  <Formula> (1,845)
C36H45NO7

>  <MolWeight> (1,845)
603.745

>  <Item Name> (1,845)
Salmeterol Xinafoate

>  <Catalog Number> (1,845)
S4296

>  <Synonyms> (1,845)
N/A

>  <Target> (1,845)
Adrenergic Receptor

>  <Form> (1,845)
Salt

>  <URL> (1,845)
http://www.selleckchem.com/products/salmeterol-xinafoate.html

>  <CAS Number> (1,845)
94749-08-3

$$$$
GNF5837.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,846)
2362

>  <Formula> (1,846)
C28H21F4N5O2

>  <MolWeight> (1,846)
535.4922528

>  <Item Name> (1,846)
GNF-5837

>  <Catalog Number> (1,846)
S7519

>  <Synonyms> (1,846)
N/A

>  <Target> (1,846)
Trk receptor

>  <Form> (1,846)
Free Base

>  <URL> (1,846)
http://www.selleckchem.com/products/gnf-5837.html

>  <CAS Number> (1,846)
1033769-28-6

$$$$
PD128907.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,847)
2363

>  <Formula> (1,847)
C14H20ClNO3

>  <MolWeight> (1,847)
285.7665

>  <Item Name> (1,847)
PD128907 HCl

>  <Catalog Number> (1,847)
S2168

>  <Synonyms> (1,847)
PD128907

>  <Target> (1,847)
Dopamine Receptor

>  <Form> (1,847)
Salt

>  <URL> (1,847)
http://www.selleckchem.com/products/PD-128907.html

>  <CAS Number> (1,847)
112960-16-4

$$$$
WS6 .cdx
csChFnd80/02221609172D

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>  <Mol_ID> (1,848)
2364

>  <Formula> (1,848)
C29H31F3N6O3

>  <MolWeight> (1,848)
568.5900496

>  <Item Name> (1,848)
WS6

>  <Catalog Number> (1,848)
S7442

>  <Synonyms> (1,848)
N/A

>  <Target> (1,848)
I¦ÊB/IKK

>  <Form> (1,848)
Free Base

>  <URL> (1,848)
http://www.selleckchem.com/products/ws6.html

>  <CAS Number> (1,848)
1421227-53-3

$$$$
MG 101.cdx
csChFnd80/02221609172D

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Histone Methyltransferase

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http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

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1271738-59-0

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(-)-Nutlin-3

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Free Base

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http://www.selleckchem.com/products/nutlin-3a.html

>  <CAS Number> (1,871)
675576-98-4

$$$$
Nutlin-3b.cdx
csChFnd80/02221609172D

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>  <Formula> (1,872)
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>  <Target> (1,872)
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>  <URL> (1,872)
http://www.selleckchem.com/products/nutlin-3b.html

>  <CAS Number> (1,872)
675576-97-3

$$$$
Disopyramide Phosphate.cdx
csChFnd80/02221609172D

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Pentoxyverine Citrate

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Carbetapentane Citrate

>  <Target> (1,873)
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>  <Form> (1,873)
Free Base

>  <URL> (1,873)
http://www.selleckchem.com/products/pentoxyverine-carbetapentane-citrate.html

>  <CAS Number> (1,873)
23142-01-0

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/02221609172D

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>  <Formula> (1,874)
C18H29ClN2O

>  <MolWeight> (1,874)
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>  <Item Name> (1,874)
Levobupivacaine HCl

>  <Catalog Number> (1,874)
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>  <Synonyms> (1,874)
N/A

>  <Target> (1,874)
Sodium Channel

>  <Form> (1,874)
Salt

>  <URL> (1,874)
http://www.selleckchem.com/products/lvobupivacaine-hcl.html

>  <CAS Number> (1,874)
27262-48-2

$$$$
WS3.cdx
csChFnd80/02221609172D

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521937-07-5

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csChFnd80/02221609172D

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459789-99-2

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http://www.selleckchem.com/products/dtp3.html

>  <CAS Number> (1,886)
no

$$$$
UNC0631.cdx
csChFnd80/02221609172D

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>  <Formula> (1,887)
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>  <Item Name> (1,887)
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>  <Catalog Number> (1,887)
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>  <Synonyms> (1,887)
N/A

>  <Target> (1,887)
Histone Methyltransferase

>  <Form> (1,887)
Free Base

>  <URL> (1,887)
http://www.selleckchem.com/products/unc0631.html

>  <CAS Number> (1,887)
1320288-19-4

$$$$
Ledipasvir (GS5885) .cdx
csChFnd80/02221609172D

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>  <Item Name> (1,888)
Ledipasvir (GS5885)

>  <Catalog Number> (1,888)
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>  <Synonyms> (1,888)
N/A

>  <Target> (1,888)
HCV Protease

>  <Form> (1,888)
Free Base

>  <URL> (1,888)
http://www.selleckchem.com/products/ledipasvir-gs5885.html

>  <CAS Number> (1,888)
1256388-51-8

$$$$
KPT-335.cdx
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http://www.selleckchem.com/products/lomitapide-mesylate.html

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202914-84-9

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Histone Methyltransferase

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1418308-27-6

$$$$
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Rho

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http://www.selleckchem.com/products/ml141.html

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71203-35-5

$$$$
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>  <URL> (1,896)
http://www.selleckchem.com/products/brd4770.html

>  <CAS Number> (1,896)
1374601-40-7

$$$$
PX-478 2HCl.cdx
csChFnd80/02221609172D

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PX-478 2HCl

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S7612

>  <Synonyms> (1,897)
N/A

>  <Target> (1,897)
HIF

>  <Form> (1,897)
Salt

>  <URL> (1,897)
http://www.selleckchem.com/products/px-478-2hcl.html

>  <CAS Number> (1,897)
685898-44-6

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/02221609172D

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S7668

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AXL1717

>  <Target> (1,898)
IGF-1R

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Free Base

>  <URL> (1,898)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

>  <CAS Number> (1,898)
656820-32-5

$$$$
YK-4-279.cdx
csChFnd80/02221609172D

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DNA/RNA Synthesis

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Free Base

>  <URL> (1,899)
http://www.selleckchem.com/products/yk-4-279.html

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1037184-44-3

$$$$
Reversine.cdx
csChFnd80/02221609172D

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>  <URL> (1,900)
http://www.selleckchem.com/products/reversine.html

>  <CAS Number> (1,900)
656820-32-5

$$$$
U73122.cdx
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http://www.selleckchem.com/products/edoxaban.html

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Transferase

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>  <CAS Number> (1,925)
180977-34-8

$$$$
GKT137831.cdx
csChFnd80/02221609172D

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

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1218942-37-0

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/02221609172D

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N/A

>  <Target> (1,927)
PLK

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>  <URL> (1,927)
http://www.selleckchem.com/products/sbe-13-hcl.html

>  <CAS Number> (1,927)
1052532-15-6

$$$$
Bikinin.cdx
csChFnd80/02221609172D

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188011-69-0

$$$$
SD208.cdx
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TGF-beta/Smad

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Free Base

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627536-09-8

$$$$
LFM-A13.cdx
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1051375-10-0

$$$$
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557795-19-4

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>  <CAS Number> (1,954)
877399-52-5, 877399-53-6 (acetate)

$$$$
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CDK

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>  <Target> (1,956)
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Free Base

>  <URL> (1,956)
http://www.selleckchem.com/products/s-crizotinib.html

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1374356-45-2

$$$$
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>  <Target> (1,957)
Mdm2

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Free Base

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

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1303607-60-4

$$$$
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$$$$
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>  <URL> (1,968)
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>  <CAS Number> (1,968)
946518-60-1

$$$$
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>  <Synonyms> (1,973)
N/A

>  <Target> (1,973)
TGF-beta/Smad

>  <Form> (1,973)
Free Base

>  <URL> (1,973)
http://www.selleckchem.com/products/ldn-214117.html

>  <CAS Number> (1,973)
1627503-67-6

$$$$
BRD7552.cdx
csChFnd80/02221609172D

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>  <Formula> (1,974)
C33H33N3O15

>  <MolWeight> (1,974)
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>  <Item Name> (1,974)
BRD7552

>  <Catalog Number> (1,974)
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>  <Synonyms> (1,974)
N/A

>  <Target> (1,974)
Others

>  <Form> (1,974)
Free Base

>  <URL> (1,974)
http://www.selleckchem.com/products/brd7552.html

>  <CAS Number> (1,974)
1137359-47-7

$$$$
Purvalanol A.cdx
csChFnd80/02221609172D

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M  END
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2508

>  <Formula> (1,975)
C19H25ClN6O

>  <MolWeight> (1,975)
388.8944

>  <Item Name> (1,975)
Purvalanol A

>  <Catalog Number> (1,975)
S7793

>  <Synonyms> (1,975)
N/A

>  <Target> (1,975)
CDK

>  <Form> (1,975)
Free Base

>  <URL> (1,975)
http://www.selleckchem.com/products/purvalanol-a.html

>  <CAS Number> (1,975)
212844-53-6

$$$$
AZD2932.cdx
csChFnd80/02221609172D

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2509

>  <Formula> (1,976)
C24H25N5O4

>  <MolWeight> (1,976)
447.4864

>  <Item Name> (1,976)
AZD2932

>  <Catalog Number> (1,976)
S7003

>  <Synonyms> (1,976)
N/A

>  <Target> (1,976)
PDGFR

>  <Form> (1,976)
Free Base

>  <URL> (1,976)
http://www.selleckchem.com/products/azd2932.html

>  <CAS Number> (1,976)
883986-34-3

$$$$
NU1025.cdx
csChFnd80/02221609172D

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899431-18-6

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218924-25-5

$$$$
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161552-03-0

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M  END
>  <Mol_ID> (1,997)
2534

>  <Formula> (1,997)
C21H22Cl2N4O2

>  <MolWeight> (1,997)
433.33098

>  <Item Name> (1,997)
Ulixertinib (BVD-523, VRT752271)

>  <Catalog Number> (1,997)
S7854

>  <Synonyms> (1,997)
N/A

>  <Target> (1,997)
ERK

>  <Form> (1,997)
Free Base

>  <URL> (1,997)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (1,997)
869886-67-9

$$$$
Tenofovir alafenamide.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,998)
2535

>  <Formula> (1,998)
C21H29N6O5P

>  <MolWeight> (1,998)
476.465921

>  <Item Name> (1,998)
Tenofovir Alafenamide (GS-7340)

>  <Catalog Number> (1,998)
S7856

>  <Synonyms> (1,998)
N/A

>  <Target> (1,998)
Reverse Transcriptase

>  <Form> (1,998)
Free Base

>  <URL> (1,998)
http://www.selleckchem.com/products/tenofovir-alafenamide-gs-7340.html

>  <CAS Number> (1,998)
379270-37-8

$$$$
BPTES.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (1,999)
2536

>  <Formula> (1,999)
C24H24N6O2S3

>  <MolWeight> (1,999)
524.68136

>  <Item Name> (1,999)
BPTES

>  <Catalog Number> (1,999)
S7753

>  <Synonyms> (1,999)
N/A

>  <Target> (1,999)
Others

>  <Form> (1,999)
Free Base

>  <URL> (1,999)
http://www.selleckchem.com/products/bptes.html

>  <CAS Number> (1,999)
314045-39-1

$$$$
Dorsomorphin.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (2,000)
2537

>  <Formula> (2,000)
C24H25N5O

>  <MolWeight> (2,000)
399.4882

>  <Item Name> (2,000)
Dorsomorphin (Compound C)

>  <Catalog Number> (2,000)
S7840

>  <Synonyms> (2,000)
Compound C, BML-275

>  <Target> (2,000)
AMPK

>  <Form> (2,000)
Free Base

>  <URL> (2,000)
http://www.selleckchem.com/products/dorsomorphin.html

>  <CAS Number> (2,000)
866405-64-3

$$$$
Licochalcone A.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (2,001)
2538

>  <Formula> (2,001)
C21H22O4

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Estrogen/progestogen Receptor

>  <Form> (2,001)
Free Base

>  <URL> (2,001)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (2,001)
58749-22-7

$$$$
Eltrombopag diethanolamine salt.cdx
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Eltrombopag olamine

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SB-497115-GR, SB497115

>  <Target> (2,002)
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>  <Form> (2,002)
Free Base

>  <URL> (2,002)
http://www.selleckchem.com/products/Eltrombopag-SB-497115-GR.html

>  <CAS Number> (2,002)
496775-62-3

$$$$
Eltrombopag (Promacta).cdx
csChFnd80/02221609172D

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>  <Formula> (2,003)
C25H22N4O4

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Eltrombopag

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>  <Synonyms> (2,003)
N/A

>  <Target> (2,003)
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>  <Form> (2,003)
Free Base

>  <URL> (2,003)
http://www.selleckchem.com/products/eltrombopag.html

>  <CAS Number> (2,003)
496775-61-2

$$$$
E3330.cdx
csChFnd80/02221609172D

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DNA/RNA Synthesis

>  <Form> (2,004)
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>  <URL> (2,004)
http://www.selleckchem.com/products/e3330.html

>  <CAS Number> (2,004)
136164-66-4

$$$$
Endoxifen HCl.cdx
csChFnd80/02221609172D

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Endoxifen HCl

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S7839

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N/A

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Estrogen/progestogen Receptor

>  <Form> (2,005)
Salt

>  <URL> (2,005)
http://www.selleckchem.com/products/endoxifen-hcl.html

>  <CAS Number> (2,005)
1032008-74-4

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CPI-169.cdx
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>  <Target> (2,006)
Histone Methyltransferase

>  <Form> (2,006)
Free Base

>  <URL> (2,006)
http://www.selleckchem.com/products/cpi-169.html

>  <CAS Number> (2,006)
1450655-76-1

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>  <Synonyms> (2,007)
N/A

>  <Target> (2,007)
Akt

>  <Form> (2,007)
Free Base

>  <URL> (2,007)
http://www.selleckchem.com/products/sc79.html

>  <CAS Number> (2,007)
305834-79-1

$$$$
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csChFnd80/02221609172D

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MEK

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>  <URL> (2,008)
http://www.selleckchem.com/products/bi-847325.html

>  <CAS Number> (2,008)
1207293-36-4

$$$$
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csChFnd80/02221609172D

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1221713-92-3

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>  <URL> (2,015)
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>  <CAS Number> (2,015)
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Sitagliptin phosphate monohydrate

>  <Catalog Number> (2,016)
S4002

>  <Synonyms> (2,016)
MK-0431

>  <Target> (2,016)
DPP-4

>  <Form> (2,016)
Free Base

>  <URL> (2,016)
http://www.selleckchem.com/products/Sitagliptin.html

>  <CAS Number> (2,016)
654671-77-9

$$$$
Dyngo-4a.cdx
csChFnd80/02221609172D

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>  <Item Name> (2,017)
Dyngo-4a

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S7163

>  <Synonyms> (2,017)
N/A

>  <Target> (2,017)
Dynamin

>  <Form> (2,017)
Free Base

>  <URL> (2,017)
http://www.selleckchem.com/products/dyngo-4a.html

>  <CAS Number> (2,017)
1256493-34-1

$$$$
AMI-1.cdx
csChFnd80/02221609172D

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>  <Formula> (2,018)
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>  <MolWeight> (2,018)
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>  <Item Name> (2,018)
AMI-1

>  <Catalog Number> (2,018)
S7884

>  <Synonyms> (2,018)
N/A

>  <Target> (2,018)
Histone Methyltransferase

>  <Form> (2,018)
Free Base

>  <URL> (2,018)
http://www.selleckchem.com/products/ami-1.html

>  <CAS Number> (2,018)
20324-87-2

$$$$
GDC0623.cdx
csChFnd80/02221609172D

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>  <Formula> (2,019)
C16H14FIN4O3

>  <MolWeight> (2,019)
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>  <Item Name> (2,019)
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>  <Synonyms> (2,019)
G-868

>  <Target> (2,019)
MEK

>  <Form> (2,019)
Free Base

>  <URL> (2,019)
http://www.selleckchem.com/products/gdc-0623.html

>  <CAS Number> (2,019)
1168091-68-6

$$$$
G007-LK.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (2,024)
2566

>  <Formula> (2,024)
C25H27N9

>  <MolWeight> (2,024)
453.54218

>  <Item Name> (2,024)
UM171

>  <Catalog Number> (2,024)
S7608

>  <Synonyms> (2,024)
N/A

>  <Target> (2,024)
Others

>  <Form> (2,024)
Free Base

>  <URL> (2,024)
http://www.selleckchem.com/products/um171.html

>  <CAS Number> (2,024)
1448724-09-1

$$$$
S3027.cdx
csChFnd80/02221609172D

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M  END
>  <Mol_ID> (2,025)
2567

>  <Formula> (2,025)
C30H30CaO8

>  <MolWeight> (2,025)
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>  <Item Name> (2,025)
Fenoprofen calcium hydrate

>  <Catalog Number> (2,025)
S3027

>  <Synonyms> (2,025)
N/A

>  <Target> (2,025)
Others

>  <Form> (2,025)
Free Base

>  <URL> (2,025)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (2,025)
71720-56-4

$$$$
S4059.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (2,026)
2568

>  <Formula> (2,026)
C5FeN6Na2O

>  <MolWeight> (2,026)
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>  <Item Name> (2,026)
Sodium Nitroprusside

>  <Catalog Number> (2,026)
S4059

>  <Synonyms> (2,026)
N/A

>  <Target> (2,026)
Others

>  <Form> (2,026)
Free Base

>  <URL> (2,026)
http://www.selleckchem.com/products/sodium-nitroprusside.html

>  <CAS Number> (2,026)
14402-89-2

$$$$
Sertaconazole nitrate.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (2,027)
2570

>  <Formula> (2,027)
C20H16Cl3N3O4S

>  <MolWeight> (2,027)
500.78274

>  <Item Name> (2,027)
Sertaconazole nitrate

>  <Catalog Number> (2,027)
S3161

>  <Synonyms> (2,027)
FI-7045

>  <Target> (2,027)
Others

>  <Form> (2,027)
Nitrate

>  <URL> (2,027)
http://www.selleckchem.com/products/sertaconazole-nitrate.html

>  <CAS Number> (2,027)
99592-39-9

$$$$
RTA 408.cdx
csChFnd80/02221609172D

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M  END
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2573

>  <Formula> (2,028)
C33H44F2N2O3

>  <MolWeight> (2,028)
554.7108664

>  <Item Name> (2,028)
Omaveloxolone (RTA-408)

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S7672

>  <Synonyms> (2,028)
N/A

>  <Target> (2,028)
Others

>  <Form> (2,028)
Free Base

>  <URL> (2,028)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

>  <CAS Number> (2,028)
1474034-05-3

$$$$
8-Bromo-cAMP.cdx
csChFnd80/02221609172D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
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>  <Formula> (2,029)
C10H10BrN5NaO6P

>  <MolWeight> (2,029)
430.083831

>  <Item Name> (2,029)
8-Bromo-cAMP

>  <Catalog Number> (2,029)
S7857

>  <Synonyms> (2,029)
N/A

>  <Target> (2,029)
PKA

>  <Form> (2,029)
Free Base

>  <URL> (2,029)
http://www.selleckchem.com/products/8-bromo-camp.html

>  <CAS Number> (2,029)
76939-46-3

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/02221609172D

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M  END
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2575

>  <Formula> (2,030)
C11H13BrFN7O4S

>  <MolWeight> (2,030)
438.2328232

>  <Item Name> (2,030)
Epacadostat (INCB024360)

>  <Catalog Number> (2,030)
S7910

>  <Synonyms> (2,030)
N/A

>  <Target> (2,030)
IDO

>  <Form> (2,030)
Free Base

>  <URL> (2,030)
http://www.selleckchem.com/products/epacadostat-incb024360.html

>  <CAS Number> (2,030)
1204669-58-8

$$$$
BLU9931.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (2,031)
2576

>  <Formula> (2,031)
C26H22Cl2N4O3

>  <MolWeight> (2,031)
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>  <Item Name> (2,031)
BLU9931

>  <Catalog Number> (2,031)
S7819

>  <Synonyms> (2,031)
N/A

>  <Target> (2,031)
FGFR

>  <Form> (2,031)
Free Base

>  <URL> (2,031)
http://www.selleckchem.com/products/blu9931.html

>  <CAS Number> (2,031)
1538604-68-0

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/02221609172D

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csChFnd80/02221609172D

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59-14-3

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Isoxazole 9 (ISX-9)

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S7914

>  <Synonyms> (2,044)
N/A

>  <Target> (2,044)
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>  <Form> (2,044)
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>  <URL> (2,044)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

>  <CAS Number> (2,044)
832115-62-5

$$$$
Oleuropein.cdx
csChFnd80/02221609172D

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>  <Item Name> (2,045)
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>  <Catalog Number> (2,045)
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>  <Synonyms> (2,045)
N/A

>  <Target> (2,045)
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>  <Form> (2,045)
Free Base

>  <URL> (2,045)
http://www.selleckchem.com/products/oleuropein.html

>  <CAS Number> (2,045)
32619-42-4

$$$$
MMAE.cdx
csChFnd80/02221609172D

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>  <Formula> (2,046)
C39H67N5O7

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>  <Item Name> (2,046)
Monomethyl auristatin E (MMAE)

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>  <Synonyms> (2,046)
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>  <Target> (2,046)
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>  <Form> (2,046)
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>  <URL> (2,046)
http://www.selleckchem.com/products/monomethyl-auristatin-e-mmae.html

>  <CAS Number> (2,046)
474645-27-7

$$$$
Dp44mT.cdx
csChFnd80/02221609172D

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2595

>  <Formula> (2,047)
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>  <MolWeight> (2,047)
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>  <Target> (2,047)
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>  <URL> (2,047)
http://www.selleckchem.com/products/dp44mt.html

>  <CAS Number> (2,047)
152095-12-0

$$$$
Vidofludimus .cdx
csChFnd80/02221609172D

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>  <Formula> (2,048)
C20H18FNO4

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>  <Item Name> (2,048)
Vidofludimus

>  <Catalog Number> (2,048)
S7262

>  <Synonyms> (2,048)
SC12267, 4SC-101

>  <Target> (2,048)
Dehydrogenase

>  <Form> (2,048)
Free Base

>  <URL> (2,048)
http://www.selleckchem.com/products/vidofludimus.html

>  <CAS Number> (2,048)
717824-30-1

$$$$
PF-03084014.cdx
csChFnd80/02221609172D

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>  <Formula> (2,049)
C27H41F2N5O

>  <MolWeight> (2,049)
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>  <Item Name> (2,049)
PF-03084014 (PF-3084014)

>  <Catalog Number> (2,049)
S8018

>  <Synonyms> (2,049)
N/A

>  <Target> (2,049)
Gamma-secretase

>  <Form> (2,049)
Free Base

>  <URL> (2,049)
http://www.selleckchem.com/products/pf-03084014-pf-3084014.html

>  <CAS Number> (2,049)
1290543-63-3

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (2,050)
2598

>  <Formula> (2,050)
C25H29N3O3

>  <MolWeight> (2,050)
419.51606

>  <Item Name> (2,050)
PD-1/PD-L1 inhibitor 2

>  <Catalog Number> (2,050)
S7912

>  <Synonyms> (2,050)
N/A

>  <Target> (2,050)
Others

>  <Form> (2,050)
Free Base

>  <URL> (2,050)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

>  <CAS Number> (2,050)
1675203-84-5

$$$$
Tiplaxtinin(PAI-039).cdx
csChFnd80/02221609172D

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>  <Formula> (2,051)
C24H16F3NO4

>  <MolWeight> (2,051)
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>  <Item Name> (2,051)
Tiplaxtinin (PAI-039)

>  <Catalog Number> (2,051)
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>  <Synonyms> (2,051)
N/A

>  <Target> (2,051)
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>  <Form> (2,051)
Free Base

>  <URL> (2,051)
http://www.selleckchem.com/products/tiplaxtinin-pai-039.html

>  <CAS Number> (2,051)
393105-53-8

$$$$
GSK2801.cdx
csChFnd80/02221609172D

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165682-93-9

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$$$$
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$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/02221609172D

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$$$$
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6112-76-1

$$$$
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>  <Formula> (2,095)
C26H21N3O3

>  <MolWeight> (2,095)
423.46324

>  <Item Name> (2,095)
Coelenterazine

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S7777

>  <Synonyms> (2,095)
N/A

>  <Target> (2,095)
Others

>  <Form> (2,095)
Free Base

>  <URL> (2,095)
http://www.selleckchem.com/products/coelenterazine.html

>  <CAS Number> (2,095)
55779-48-1

$$$$
Vorapaxar (SCH 530348).cdx
csChFnd80/02221609172D

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>  <Mol_ID> (2,096)
2645

>  <Formula> (2,096)
C29H33FN2O4

>  <MolWeight> (2,096)
492.5817232

>  <Item Name> (2,096)
Vorapaxar (SCH 530348)

>  <Catalog Number> (2,096)
S8067

>  <Synonyms> (2,096)
SCH 530348, MK-5348

>  <Target> (2,096)
Protease-activated Receptor

>  <Form> (2,096)
Free Base

>  <URL> (2,096)
http://www.selleckchem.com/products/vorapaxar.html

>  <CAS Number> (2,096)
618385-01-6

$$$$
SKF38393.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (2,097)
2646

>  <Formula> (2,097)
C16H18ClNO2

>  <MolWeight> (2,097)
291.77262

>  <Item Name> (2,097)
SKF38393 HCl

>  <Catalog Number> (2,097)
S7993

>  <Synonyms> (2,097)
N/A

>  <Target> (2,097)
Dopamine Receptor

>  <Form> (2,097)
Salt

>  <URL> (2,097)
http://www.selleckchem.com/products/skf38393-hcl.html

>  <CAS Number> (2,097)
62717-42-4

$$$$
ORY-1001.cdx
csChFnd80/02221609172D

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>  <Mol_ID> (2,098)
2647

>  <Formula> (2,098)
C15H24Cl2N2

>  <MolWeight> (2,098)
303.27046

>  <Item Name> (2,098)
ORY-1001 (RG-6016)

>  <Catalog Number> (2,098)
S7795

>  <Synonyms> (2,098)
N/A

>  <Target> (2,098)
Histone Demethylase

>  <Form> (2,098)
Salt

>  <URL> (2,098)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

>  <CAS Number> (2,098)
1431326-61-2

$$$$
flavopiridol.cdx
csChFnd80/02221609172D

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2651

>  <Formula> (2,099)
C21H20ClNO5

>  <MolWeight> (2,099)
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>  <Item Name> (2,099)
Flavopiridol

>  <Catalog Number> (2,099)
S1230

>  <Synonyms> (2,099)
Alvocidib

>  <Target> (2,099)
CDK

>  <Form> (2,099)
free base

>  <URL> (2,099)
http://selleckchem.com/products/Flavopiridol.html

>  <CAS Number> (2,099)
146426-40-6

$$$$
TH-302.cdx
csChFnd80/02221609172D

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    8.3194    5.8827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7443    4.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9525    5.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1607    4.4827    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.3094    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5176    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5176    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  2  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
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,100)
2653

>  <Formula> (2,100)
C9H16Br2N5O4P

>  <MolWeight> (2,100)
449.036201

>  <Item Name> (2,100)
TH-302
TH-302

>  <Catalog Number> (2,100)
S2757

>  <Synonyms> (2,100)
N/A

>  <Target> (2,100)
Others

>  <Form> (2,100)
free base

>  <URL> (2,100)
http://selleckchem.com/products/th-302.html

>  <CAS Number> (2,100)
918633-87-1

$$$$
