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Axitinib

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AG 013736

>  <Target> (1)
VEGFR, PDGFR, c-Kit

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Free Base

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

>  <CAS Number> (1)
319460-85-0

$$$$
untitled.cdx
csChFnd80/08251616502D

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MG-341, PS-341

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Proteasome

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Free Base

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

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

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/08251616502D

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N/A 

>  <Target> (3)
Src

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Free Base

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

>  <CAS Number> (3)
380843-75-4

$$$$
Dasatinib.cdx
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>  <CAS Number> (4)
302962-49-8

$$$$
untitled.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (5)
19

>  <Formula> (5)
C22H24ClFN4O3

>  <MolWeight> (5)
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>  <Item Name> (5)
Gefitinib (Iressa)

>  <Catalog Number> (5)
S1025

>  <Synonyms> (5)
ZD-1839

>  <Target> (5)
EGFR

>  <Form> (5)
Free Base

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

>  <CAS Number> (5)
184475-35-2

$$$$
Imatinib Mesylate.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (6)
20

>  <Formula> (6)
C30H35N7O4S

>  <MolWeight> (6)
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>  <Item Name> (6)
Imatinib Mesylate

>  <Catalog Number> (6)
S1026

>  <Synonyms> (6)
Glivec, CGP-57148B, STI-571 

>  <Target> (6)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (6)
Mesylate

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

>  <CAS Number> (6)
220127-57-1

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (7)
21

>  <Formula> (7)
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EGFR, HER2

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Ditosylat

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388082-77-7

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CC-5013

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TNF-alpha

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Free Base

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

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191732-72-6

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Nilotinib (AMN-107)

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S1033

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Tasigna 

>  <Target> (9)
Bcr-Abl

>  <Form> (9)
Free Base

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

>  <CAS Number> (9)
641571-10-0

$$$$
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Pazopanib HCl

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GW786034

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VEGFR, PDGFR, c-Kit

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Hydrochloride

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

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635702-64-6

$$$$
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M  END
>  <Mol_ID> (11)
32

>  <Formula> (11)
C51H79NO13

>  <MolWeight> (11)
914.17186

>  <Item Name> (11)
Rapamycin (Sirolimus)

>  <Catalog Number> (11)
S1039

>  <Synonyms> (11)
N/A 

>  <Target> (11)
mTOR 

>  <Form> (11)
Free Base

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

>  <CAS Number> (11)
53123-88-9

$$$$

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>  <Mol_ID> (12)
33

>  <Formula> (12)
C28H24ClF3N4O6S

>  <MolWeight> (12)
637.0265696

>  <Item Name> (12)
Sorafenib (Nexavar)

>  <Catalog Number> (12)
S1040

>  <Synonyms> (12)
Bay 43-9006 

>  <Target> (12)
VEGFR, PDGFR, Raf

>  <Form> (12)
Tosylate

>  <URL> (12)
http://www.selleckchem.com/products/Sorafenib-Tosylate.html

>  <CAS Number> (12)
475207-59-1

$$$$

csChFnd80/08251616502D

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M  END
>  <Mol_ID> (13)
35

>  <Formula> (13)
C26H33FN4O7

>  <MolWeight> (13)
532.5612232

>  <Item Name> (13)
Sunitinib Malate (Sutent)

>  <Catalog Number> (13)
S1042

>  <Synonyms> (13)
SU-11248 

>  <Target> (13)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (13)
Malate

>  <URL> (13)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

>  <CAS Number> (13)
341031-54-7

$$$$
untitled.cdx
csChFnd80/08251616502D

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ZD6474 

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VEGFR

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443913-73-3

$$$$
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Zolinza, MK-0683 

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HDAC

>  <Form> (15)
Free Base

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

>  <CAS Number> (15)
149647-78-9

$$$$
untitled.cdx
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S1064

>  <Synonyms> (16)
N/A 

>  <Target> (16)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (16)
Free Base

>  <URL> (16)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (16)
790299-79-5

$$$$
untitled.cdx
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S1082

>  <Synonyms> (17)
N/A 

>  <Target> (17)
Hedgehog, P-gp

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (17)
879085-55-9

$$$$
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>  <Mol_ID> (18)
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C53H83NO14

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Everolimus (RAD001)

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S1120

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Certican, Zortress, Afinitor

>  <Target> (18)
mTOR

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/Everolimus(RAD001).html

>  <CAS Number> (18)
159351-69-6

$$$$
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csChFnd80/08251616502D

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>  <Mol_ID> (19)
92

>  <Formula> (19)
C22H24ClN3O4

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>  <Item Name> (19)
Erlotinib(OSI-744)

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S1023

>  <Synonyms> (19)
(CP358774, NSC 718781) HCl

>  <Target> (19)
EGFR

>  <Form> (19)
Salt

>  <URL> (19)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

>  <CAS Number> (19)
183319-69-9

$$$$
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>  <Mol_ID> (20)
95

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C28H24FN3O5

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>  <Item Name> (20)
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BMS-907351 

>  <Target> (20)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (20)
Free Base

>  <URL> (20)
http://www.selleckchem.com/products/XL184.html

>  <CAS Number> (20)
849217-68-1

$$$$
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>  <Mol_ID> (21)
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C12H16O4S2

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Malotilate

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S1137

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N/A

>  <Target> (21)
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>  <Form> (21)
Free Base

>  <URL> (21)
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>  <CAS Number> (21)
59937-28-9 

$$$$
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>  <Mol_ID> (22)
104

>  <Formula> (22)
C24H28N2O3

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Ivacaftor (VX-770)

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>  <Synonyms> (22)
N/A

>  <Target> (22)
CFTR

>  <Form> (22)
Free Base

>  <URL> (22)
http://www.selleckchem.com/products/VX-770.html

>  <CAS Number> (22)
873054-44-5

$$$$
Docetaxel.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (23)
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>  <Formula> (23)
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>  <Item Name> (23)
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>  <Catalog Number> (23)
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>  <Synonyms> (23)
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>  <Target> (23)
Microtubule Associated

>  <Form> (23)
Free Base

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

>  <CAS Number> (23)
114977-28-5

$$$$
Paclitaxel.cdx
csChFnd80/08251616502D

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Paclitaxel (Taxol)

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S1150

>  <Synonyms> (24)
N/A 

>  <Target> (24)
Microtubule Associated

>  <Form> (24)
Free Base

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

>  <CAS Number> (24)
33069-62-4

$$$$
Capecitabine.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (25)
115

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C15H22FN3O6

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Capecitabine (Xeloda)

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S1156

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Captabin 

>  <Target> (25)
DNA/RNA Synthesis

>  <Form> (25)
Free Base

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

>  <CAS Number> (25)
154361-50-9

$$$$
Cisplatin.cdx
csChFnd80/08251616502D

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117

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Cl2H4N2Pt

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Cisplatin

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S1166

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cisplatinum, CDDP, Platinol and Platinol-AQ 

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DNA/RNA Synthesis

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Free Base

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

>  <CAS Number> (26)
15663-27-1

$$$$
BAY 73-4506.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (27)
127

>  <Formula> (27)
C21H15ClF4N4O3

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>  <Item Name> (27)
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>  <Synonyms> (27)
BAY 73-4506

>  <Target> (27)
c-Kit, Raf, VEGFR

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/BAY-73-4506.html

>  <CAS Number> (27)
755037-03-7

$$$$
Ritonavir.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (28)
132

>  <Formula> (28)
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>  <Item Name> (28)
Ritonavir

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Norvir, Norvir Softgel

>  <Target> (28)
HIV Protease

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Free Base

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

>  <CAS Number> (28)
155213-67-5

$$$$
Anastrozole.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (29)
136

>  <Formula> (29)
C17H19N5

>  <MolWeight> (29)
293.36626

>  <Item Name> (29)
Anastrozole

>  <Catalog Number> (29)
S1188

>  <Synonyms> (29)
Arimidex 

>  <Target> (29)
Aromatase

>  <Form> (29)
Free Base

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

>  <CAS Number> (29)
120511-73-1

$$$$
Aprepitant.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (30)
137

>  <Formula> (30)
C23H21F7N4O3

>  <MolWeight> (30)
534.4266624

>  <Item Name> (30)
Aprepitant (MK-0869)

>  <Catalog Number> (30)
S1189

>  <Synonyms> (30)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (30)
Substance P

>  <Form> (30)
Free Base

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

>  <CAS Number> (30)
170729-80-3

$$$$
bicalutamide.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (31)
138

>  <Formula> (31)
C18H14F4N2O4S

>  <MolWeight> (31)
430.3733728

>  <Item Name> (31)
Bicalutamide (Casodex)

>  <Catalog Number> (31)
S1190

>  <Synonyms> (31)
N/A 

>  <Target> (31)
Androgen Receptor, P450

>  <Form> (31)
Free Base

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

>  <CAS Number> (31)
90357-06-5

$$$$
Fulvestrant.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (32)
139

>  <Formula> (32)
C32H47F5O3S

>  <MolWeight> (32)
606.770796

>  <Item Name> (32)
Fulvestrant (Faslodex)

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S1191

>  <Synonyms> (32)
N/A 

>  <Target> (32)
Estrogen/progestogen Receptor

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Free Base

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

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129453-61-8

$$$$
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Aromatase

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Free Base

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

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107868-30-4

$$$$
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csChFnd80/08251616502D

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Camptosar, Campto 

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Topoisomerase

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Free Base

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

>  <CAS Number> (34)
97682-44-5

$$$$
Cladribine.cdx
csChFnd80/08251616502D

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DNA/RNA Synthesis

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4291-63-8

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
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DNA/RNA Synthesis

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Free Base

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2353-33-5

$$$$
Dutasteride.cdx
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M  END
>  <Mol_ID> (37)
146

>  <Formula> (37)
C27H30F6N2O2

>  <MolWeight> (37)
528.5297192

>  <Item Name> (37)
Dutasteride

>  <Catalog Number> (37)
S1202

>  <Synonyms> (37)
Avodart

>  <Target> (37)
5-alpha Reductase

>  <Form> (37)
Free Base

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

>  <CAS Number> (37)
164656-23-9

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (38)
149

>  <Formula> (38)
C27H30ClNO11

>  <MolWeight> (38)
579.9802

>  <Item Name> (38)
Doxorubicin (Adriamycin)

>  <Catalog Number> (38)
S1208

>  <Synonyms> (38)
N/A 

>  <Target> (38)
Topoisomerase

>  <Form> (38)
Hydrochloride

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

>  <CAS Number> (38)
25316-40-9

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (39)
150

>  <Formula> (39)
C4H3FN2O2

>  <MolWeight> (39)
130.0772232

>  <Item Name> (39)
Adrucil (Fluorouracil)

>  <Catalog Number> (39)
S1209

>  <Synonyms> (39)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (39)
DNA/RNA Synthesis

>  <Form> (39)
Free Base

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

>  <CAS Number> (39)
51-21-8

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (40)
151

>  <Formula> (40)
C20H22N8O5

>  <MolWeight> (40)
454.43928

>  <Item Name> (40)
Abitrexate (Methotrexate)

>  <Catalog Number> (40)
S1210

>  <Synonyms> (40)
Methotrexate, Rheumatrex, Trexall

>  <Target> (40)
DHFR

>  <Form> (40)
Free Base

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

>  <CAS Number> (40)
59-05-2

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (41)
153

>  <Formula> (41)
C16H22Cl3N3O2

>  <MolWeight> (41)
394.72378

>  <Item Name> (41)
Bendamustine HCL 

>  <Catalog Number> (41)
S1212

>  <Synonyms> (41)
Ribomustin, Treanda, SDX-105

>  <Target> (41)
Others

>  <Form> (41)
Hydrochloride

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

>  <CAS Number> (41)
3543-75-7

$$$$
Arranon (Nelarabine).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (42)
154

>  <Formula> (42)
C11H15N5O5

>  <MolWeight> (42)
297.2673

>  <Item Name> (42)
Nelarabine (Arranon)

>  <Catalog Number> (42)
S1213

>  <Synonyms> (42)
Arranon

>  <Target> (42)
DNA/RNA Synthesis 

>  <Form> (42)
Free Base

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

>  <CAS Number> (42)
121032-29-9

$$$$
Bleomycin sulfate.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (43)
155

>  <Formula> (43)
C55H85N17O25S4

>  <MolWeight> (43)
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>  <Item Name> (43)
Bleomycin sulfate

>  <Catalog Number> (43)
S1214

>  <Synonyms> (43)
Blenoxane

>  <Target> (43)
DNA/RNA Synthesis

>  <Form> (43)
Sulfate

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

>  <CAS Number> (43)
9041-93-4

$$$$
Clofarabine.cdx
csChFnd80/08251616502D

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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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777    2.4595    0.0000 F   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
    4.9646    0.0000    0.0000 O   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
  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
  6 10  1  0  0  0  0
  2 11  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
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 12  7  1  6  0  0  0
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 14 19  1  1  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (44)
157

>  <Formula> (44)
C10H11ClFN5O3

>  <MolWeight> (44)
303.6774432

>  <Item Name> (44)
Clofarabine

>  <Catalog Number> (44)
S1218

>  <Synonyms> (44)
Clolar, Evoltra

>  <Target> (44)
DNA/RNA Synthesis

>  <Form> (44)
Free Base

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

>  <CAS Number> (44)
123318-82-1

$$$$
Dexrazoxane Hydrochloride.cdx
csChFnd80/08251616502D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2469    1.0271    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
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  2  8  2  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
 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
 10 17  1  6  0  0  0
 15 18  2  0  0  0  0
 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (45)
159

>  <Formula> (45)
C11H17ClN4O4

>  <MolWeight> (45)
304.73008

>  <Item Name> (45)
Dexrazoxane Hydrochloride

>  <Catalog Number> (45)
S1222

>  <Synonyms> (45)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (45)
Others

>  <Form> (45)
Hydrochloride

>  <URL> (45)
http://www.selleckchem.com/products/Dexrazoxane-Hydrochloride.html

>  <CAS Number> (45)
149003-01-0

$$$$
Ellence (Epirubicin Hydrochloride).cdx
csChFnd80/08251616502D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    3.6373    6.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    8.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1816    7.6409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5439    8.9932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5540    9.9831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2017    9.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9151   11.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8915    9.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1681    6.6544    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
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 10  5  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 17  1  0  0  0  0
 22 25  1  0  0  0  0
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 25 28  2  0  0  0  0
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M  END
>  <Mol_ID> (46)
160

>  <Formula> (46)
C27H30ClNO11

>  <MolWeight> (46)
579.9802

>  <Item Name> (46)
Epirubicin Hydrochloride

>  <Catalog Number> (46)
S1223

>  <Synonyms> (46)
Ellence, Pharmorubicin, Epirubicin Ebewe

>  <Target> (46)
Topoisomerase 

>  <Form> (46)
Hydrochloride

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

>  <CAS Number> (46)
56390-09-1

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/08251616502D

 15 13  0  0  0  0  0  0  0  0999 V2000
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   10.9248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (47)
161

>  <Formula> (47)
C8H14N2O4Pt

>  <MolWeight> (47)
397.28576

>  <Item Name> (47)
Oxaliplatin (Eloxatin)

>  <Catalog Number> (47)
S1224

>  <Synonyms> (47)
Eloxatin

>  <Target> (47)
DNA/RNA Synthesis 

>  <Form> (47)
Free Base

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

>  <CAS Number> (47)
61825-94-3

$$$$
Etoposide.cdx
csChFnd80/08251616502D

 47 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (48)
162

>  <Formula> (48)
C29H32O13

>  <MolWeight> (48)
588.55658

>  <Item Name> (48)
Etoposide (VP-16)
Etoposide

>  <Catalog Number> (48)
S1225

>  <Synonyms> (48)
Vepesid 

>  <Target> (48)
Topoisomerase

>  <Form> (48)
Free Base

>  <URL> (48)
http://www.selleckchem.com/products/Etopophos.html

>  <CAS Number> (48)
33419-42-0

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/08251616502D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    3.4951    2.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    3.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (49)
164

>  <Formula> (49)
C28H28ClNO4S

>  <MolWeight> (49)
510.04422

>  <Item Name> (49)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (49)
S1227

>  <Synonyms> (49)
Raloxifene Hydrochloride, keoxifene

>  <Target> (49)
Estrogen/progestogen Receptor

>  <Form> (49)
Hydrochloride

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

>  <CAS Number> (49)
82640-04-8

$$$$
Idarubicin Hydrochloride.cdx
csChFnd80/08251616502D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (50)
165

>  <Formula> (50)
C26H28ClNO9

>  <MolWeight> (50)
533.95482

>  <Item Name> (50)
Idarubicin HCl

>  <Catalog Number> (50)
S1228

>  <Synonyms> (50)
Idamycin, Zavedos, 4-demethoxydaunorubicin 

>  <Target> (50)
Topoisomerase

>  <Form> (50)
Hydrochloride

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

>  <CAS Number> (50)
57852-57-0

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/08251616502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
  2 11  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
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 16 12  1  0  0  0  0
 12  7  1  6  0  0  0
 15 17  1  6  0  0  0
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 14 24  1  1  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (51)
166

>  <Formula> (51)
C10H13FN5O7P

>  <MolWeight> (51)
365.2116842

>  <Item Name> (51)
Fludarabine Phosphate (Fludara)

>  <Catalog Number> (51)
S1229

>  <Synonyms> (51)
N/A 

>  <Target> (51)
DNA/RNA Synthesis

>  <Form> (51)
Phosphate

>  <URL> (51)
http://www.selleckchem.com/products/Fludara.html

>  <CAS Number> (51)
75607-67-9

$$$$
Topotecan.cdx
csChFnd80/08251616502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (52)
167

>  <Formula> (52)
C23H24ClN3O5

>  <MolWeight> (52)
457.90676

>  <Item Name> (52)
Topotecan HCl

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S1231

>  <Synonyms> (52)
Hycamtin, NSC 609699

>  <Target> (52)
Topoisomerase 

>  <Form> (52)
Hydrochloride

>  <URL> (52)
http://www.selleckchem.com/products/Topotecan-Hydrochloride.html

>  <CAS Number> (52)
119413-54-6

$$$$
2-Methoxyestradiol.cdx
csChFnd80/08251616502D

 25 28  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> (53)
168

>  <Formula> (53)
C19H26O3

>  <MolWeight> (53)
302.40794

>  <Item Name> (53)
2-Methoxyestradiol

>  <Catalog Number> (53)
S1233

>  <Synonyms> (53)
2-ME2

>  <Target> (53)
HIF

>  <Form> (53)
Free Base

>  <URL> (53)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (53)
362-07-2

$$$$
Letrozole.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (54)
169

>  <Formula> (54)
C17H11N5

>  <MolWeight> (54)
285.30274

>  <Item Name> (54)
Letrozole

>  <Catalog Number> (54)
S1235

>  <Synonyms> (54)
Femara, Piroxicam 

>  <Target> (54)
Aromatase 

>  <Form> (54)
Free Base

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

>  <CAS Number> (54)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/08251616502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (55)
170

>  <Formula> (55)
C6H6N6O2

>  <MolWeight> (55)
194.15084

>  <Item Name> (55)
Temozolomide

>  <Catalog Number> (55)
S1237

>  <Synonyms> (55)
Methazolastone, Temodar, Temodal

>  <Target> (55)
Others

>  <Form> (55)
Free Base

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

>  <CAS Number> (55)
85622-93-1

$$$$
Agomelatine.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (56)
171

>  <Formula> (56)
C15H17NO2

>  <MolWeight> (56)
243.30098

>  <Item Name> (56)
Agomelatine

>  <Catalog Number> (56)
S1243

>  <Synonyms> (56)
Valdoxan, Melitor, Thymanax

>  <Target> (56)
5-HT Receptor

>  <Form> (56)
Free Base

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

>  <CAS Number> (56)
138112-76-2

$$$$
leflunomide.cdx
csChFnd80/08251616502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (57)
173

>  <Formula> (57)
C12H9F3N2O2

>  <MolWeight> (57)
270.2072696

>  <Item Name> (57)
Leflunomide

>  <Catalog Number> (57)
S1247

>  <Synonyms> (57)
Arava

>  <Target> (57)
Others

>  <Form> (57)
Free Base

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

>  <CAS Number> (57)
75706-12-6

$$$$
MDV3100.cdx
csChFnd80/08251616502D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (58)
175

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MDV3100 (Enzalutamide)

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N/A 

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Androgen Receptor, P450

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Free Base

>  <URL> (58)
http://www.selleckchem.com/products/MDV3100.html

>  <CAS Number> (58)
915087-33-1

$$$$
Dienogest.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (59)
176

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C20H25NO2

>  <MolWeight> (59)
311.418

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Dienogest

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S1251

>  <Synonyms> (59)
Natazia

>  <Target> (59)
Estrogen/progestogen Receptor

>  <Form> (59)
Free Base

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

>  <CAS Number> (59)
65928-58-7

$$$$
nepafenac.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (60)
177

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C15H14N2O2

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Nepafenac

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S1255

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Nevanac

>  <Target> (60)
Others

>  <Form> (60)
Free Base

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

>  <CAS Number> (60)
78281-72-8

$$$$
Posaconazole.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (61)
178

>  <Formula> (61)
C37H42F2N8O4

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>  <Item Name> (61)
Posaconazole

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>  <Synonyms> (61)
Noxafil

>  <Target> (61)
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>  <Form> (61)
Free Base

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

>  <CAS Number> (61)
171228-49-2

$$$$
prasugrel.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (62)
179

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C20H20FNO3S

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Prasugrel (Effient)

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S1258

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Effient, Efient, Prasita

>  <Target> (62)
P2 Receptor

>  <Form> (62)
Free Base

>  <URL> (62)
http://www.selleckchem.com/products/Prasugrel.html

>  <CAS Number> (62)
150322-43-3

$$$$
Ramelteon.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (63)
180

>  <Formula> (63)
C16H21NO2

>  <MolWeight> (63)
259.34344

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Ramelteon (TAK-375)

>  <Catalog Number> (63)
S1259

>  <Synonyms> (63)
Rozerem, TAK-375

>  <Target> (63)
Others

>  <Form> (63)
Free Base

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

>  <CAS Number> (63)
196597-26-9

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (64)
183

>  <Formula> (64)
C22H23ClF3N

>  <MolWeight> (64)
393.8729296

>  <Item Name> (64)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (64)
S1260

>  <Synonyms> (64)
Mimpara, Sensipar

>  <Target> (64)
CaSR

>  <Form> (64)
Hydrochloride

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

>  <CAS Number> (64)
364782-34-3

$$$$
Celecoxib.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (65)
184

>  <Formula> (65)
C17H14F3N3O2S

>  <MolWeight> (65)
381.3721696

>  <Item Name> (65)
Celecoxib

>  <Catalog Number> (65)
S1261

>  <Synonyms> (65)
Celebrex, Celebra 

>  <Target> (65)
COX

>  <Form> (65)
Free Base

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

>  <CAS Number> (65)
169590-42-5

$$$$
PLX-4032.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (66)
188

>  <Formula> (66)
C23H18ClF2N3O3S

>  <MolWeight> (66)
489.9221264

>  <Item Name> (66)
Vemurafenib (PLX4032)

>  <Catalog Number> (66)
S1267

>  <Synonyms> (66)
RG7204 

>  <Target> (66)
Raf 

>  <Form> (66)
Free Base

>  <URL> (66)
http://www.selleckchem.com/products/PLX-4032.html

>  <CAS Number> (66)
918504-65-1

$$$$
Adapalene.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (67)
190

>  <Formula> (67)
C28H28O3

>  <MolWeight> (67)
412.52012

>  <Item Name> (67)
Adapalene

>  <Catalog Number> (67)
S1276

>  <Synonyms> (67)
Differin

>  <Target> (67)
Others

>  <Form> (67)
Free Base

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

>  <CAS Number> (67)
106685-40-9

$$$$
Altretamine.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (68)
191

>  <Formula> (68)
C9H18N6

>  <MolWeight> (68)
210.27942

>  <Item Name> (68)
Altretamine (Hexalen)

>  <Catalog Number> (68)
S1278

>  <Synonyms> (68)
Hexalen

>  <Target> (68)
Others

>  <Form> (68)
Free Base

>  <URL> (68)
http://www.selleckchem.com/products/Altretamine.html

>  <CAS Number> (68)
645-05-6

$$$$
Amisulpride.cdx
csChFnd80/08251616502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (69)
192

>  <Formula> (69)
C17H27N3O4S

>  <MolWeight> (69)
369.47898

>  <Item Name> (69)
Amisulpride

>  <Catalog Number> (69)
S1280

>  <Synonyms> (69)
Solian

>  <Target> (69)
Dopamine Receptor

>  <Form> (69)
Free Base

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

>  <CAS Number> (69)
71675-85-9

$$$$
Aniracetam.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (70)
193

>  <Formula> (70)
C12H13NO3

>  <MolWeight> (70)
219.23652

>  <Item Name> (70)
Aniracetam

>  <Catalog Number> (70)
S1281

>  <Synonyms> (70)
Draganon, Sarpul, Ampamet

>  <Target> (70)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (70)
Free Base

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

>  <CAS Number> (70)
72432-10-1

$$$$
Asenapine maleate.cdx
csChFnd80/08251616502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (71)
194

>  <Formula> (71)
C21H20ClNO5

>  <MolWeight> (71)
401.8402

>  <Item Name> (71)
Asenapine maleate

>  <Catalog Number> (71)
S1283

>  <Synonyms> (71)
Saphris

>  <Target> (71)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (71)
Maleate

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

>  <CAS Number> (71)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (72)
195

>  <Formula> (72)
C24H29ClN2O5

>  <MolWeight> (72)
460.95046

>  <Item Name> (72)
Benazepril hydrochloride

>  <Catalog Number> (72)
S1284

>  <Synonyms> (72)
Lotensin

>  <Target> (72)
RAAS

>  <Form> (72)
Hydrochloride

>  <URL> (72)
http://www.selleckchem.com/products/Benazepril-hydrochloride.html

>  <CAS Number> (72)
86541-74-4

$$$$
Budesonide.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (73)
197

>  <Formula> (73)
C25H34O6

>  <MolWeight> (73)
430.53386

>  <Item Name> (73)
Budesonide

>  <Catalog Number> (73)
S1286

>  <Synonyms> (73)
Rhinocort, Pulmicort , Entocort, Symbicort, Noex. Entocort EC

>  <Target> (73)
Others

>  <Form> (73)
Free Base

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

>  <CAS Number> (73)
51333-22-3

$$$$
Bumetanide.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (74)
198

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C17H20N2O5S

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>  <Item Name> (74)
Bumetanide

>  <Catalog Number> (74)
S1287

>  <Synonyms> (74)
Bumex

>  <Target> (74)
Others

>  <Form> (74)
Free Base

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

>  <CAS Number> (74)
28395-03-1

$$$$
Carmofur.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (75)
199

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257.2614432

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Carmofur

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S1289

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HCFU

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Antimetabolites

>  <Form> (75)
Free Base

>  <URL> (75)
http://www.selleckchem.com/products/Carmofur.html

>  <CAS Number> (75)
61422-45-5

$$$$
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csChFnd80/08251616502D

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M  END
>  <Mol_ID> (76)
201

>  <Formula> (76)
C21H27Cl3N2O3

>  <MolWeight> (76)
461.80968

>  <Item Name> (76)
Cetirizine Dihydrochloride

>  <Catalog Number> (76)
S1291

>  <Synonyms> (76)
Zyrtec, Reactine

>  <Target> (76)
Histamine Receptor

>  <Form> (76)
2HCl

>  <URL> (76)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (76)
83881-52-1

$$$$
Cilnidipine.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (77)
202

>  <Formula> (77)
C27H28N2O7

>  <MolWeight> (77)
492.52042

>  <Item Name> (77)
Cilnidipine

>  <Catalog Number> (77)
S1293

>  <Synonyms> (77)
FRC 8653 

>  <Target> (77)
Calcium Channel

>  <Form> (77)
Free Base

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

>  <CAS Number> (77)
132203-70-4

$$$$
Camptothecine.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (78)
203

>  <Formula> (78)
C20H16N2O4

>  <MolWeight> (78)
348.35204

>  <Item Name> (78)
Camptothecin

>  <Catalog Number> (78)
S1288

>  <Synonyms> (78)
N/A

>  <Target> (78)
Topoisomerase

>  <Form> (78)
Free Base

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

>  <CAS Number> (78)
7689-03-4

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (79)
204

>  <Formula> (79)
C18H20O2

>  <MolWeight> (79)
268.3502

>  <Item Name> (79)
Diethylstilbestrol (Stilbestrol)

>  <Catalog Number> (79)
S1859

>  <Synonyms> (79)
diethylstilboestrol, DES, Stilbestrol, Agostilben

>  <Target> (79)
Others

>  <Form> (79)
Free Base

>  <URL> (79)
http://www.selleckchem.com/products/Diethylstilbestrol(Stilbestrol).html

>  <CAS Number> (79)
56-53-1

$$$$
Diltiazem HCl.cdx
csChFnd80/08251616502D

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 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> (80)
205

>  <Formula> (80)
C22H27ClN2O4S

>  <MolWeight> (80)
450.97878

>  <Item Name> (80)
Diltiazem HCl (Tiazac)

>  <Catalog Number> (80)
S1865

>  <Synonyms> (80)
Cardizem

>  <Target> (80)
Others

>  <Form> (80)
Hydrochloric

>  <URL> (80)
http://www.selleckchem.com/products/Diltiazem-HCl(Tiazac).html

>  <CAS Number> (80)
33286-22-5 

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/08251616502D

 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
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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
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    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
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 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> (81)
206

>  <Formula> (81)
C17H22ClNO

>  <MolWeight> (81)
291.81568

>  <Item Name> (81)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (81)
S1866

>  <Synonyms> (81)
Dimedrol

>  <Target> (81)
Others

>  <Form> (81)
Hydrochloride

>  <URL> (81)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (81)
147-24-0 

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/08251616502D

 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
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    8.4660    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    3.3833    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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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
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 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (82)
207

>  <Formula> (82)
C21H24ClNO

>  <MolWeight> (82)
341.87436

>  <Item Name> (82)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (82)
S1869

>  <Synonyms> (82)
Priligy, LY-210448 hydrochloride

>  <Target> (82)
5-HT Receptor

>  <Form> (82)
Hydrochloride

>  <URL> (82)
http://www.selleckchem.com/products/Dapoxetine-hydrochloride(Priligy).html

>  <CAS Number> (82)
129938-20-1

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/08251616502D

 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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 10  5  1  0  0  0  0
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 13  9  2  0  0  0  0
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  3 15  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (83)
208

>  <Formula> (83)
C10H8Cl3N3O

>  <MolWeight> (83)
292.54902

>  <Item Name> (83)
Anagrelide hydrochloride 

>  <Catalog Number> (83)
S3172

>  <Synonyms> (83)
N/A

>  <Target> (83)
PDE

>  <Form> (83)
Hydrochloride 

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

>  <CAS Number> (83)
58579-51-4

$$$$
Antipyrine.cdx
csChFnd80/08251616502D

 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
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  9 10  1  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> (84)
209

>  <Formula> (84)
C11H12N2O

>  <MolWeight> (84)
188.22578

>  <Item Name> (84)
Antipyrine

>  <Catalog Number> (84)
S3173

>  <Synonyms> (84)
N/A 

>  <Target> (84)
Others

>  <Form> (84)
Free Base

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

>  <CAS Number> (84)
60-80-0

$$$$
Felodipine.cdx
csChFnd80/08251616502D

 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
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   10.8867    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 14 15  2  0  0  0  0
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 10 24  2  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <Mol_ID> (85)
210

>  <Formula> (85)
C18H19Cl2NO4

>  <MolWeight> (85)
384.25376

>  <Item Name> (85)
Felodipine (Plendil)

>  <Catalog Number> (85)
S1885

>  <Synonyms> (85)
Renedil, Feloday 

>  <Target> (85)
NULL

>  <Form> (85)
Free Base

>  <URL> (85)
http://www.selleckchem.com/products/Felodipine(Plendil).html

>  <CAS Number> (85)
72509-76-3

$$$$
Deflazacort.cdx
csChFnd80/08251616502D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (86)
211

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C25H31NO6

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Deflazacort (Calcort)

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S1888

>  <Synonyms> (86)
Cortax, Decortil, Deflanil

>  <Target> (86)
Others

>  <Form> (86)
Free Base

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

>  <CAS Number> (86)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (87)
212

>  <Formula> (87)
C12H21N5O2S2

>  <MolWeight> (87)
331.45744

>  <Item Name> (87)
Nizatidine

>  <Catalog Number> (87)
S1890

>  <Synonyms> (87)
Axid

>  <Target> (87)
Others

>  <Form> (87)
Free Base

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

>  <CAS Number> (87)
76963-41-2

$$$$
Dyclonine hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (88)
214

>  <Formula> (88)
C18H28ClNO2

>  <MolWeight> (88)
325.87342

>  <Item Name> (88)
Dyclonine hydrochloride

>  <Catalog Number> (88)
S2041

>  <Synonyms> (88)
N/A

>  <Target> (88)
Others

>  <Form> (88)
Hydrochloride

>  <URL> (88)
http://www.selleckchem.com/products/dyclonine-hydrochloride.html

>  <CAS Number> (88)
536-43-6

$$$$
CARBILEV (carbidopa).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (89)
215

>  <Formula> (89)
C10H14N2O4

>  <MolWeight> (89)
226.22916

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Carbidopa

>  <Catalog Number> (89)
S1891

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Lodosyn

>  <Target> (89)
others

>  <Form> (89)
Free Base

>  <URL> (89)
http://www.selleckchem.com/products/Carbidopa.html

>  <CAS Number> (89)
28860-95-9

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (90)
217

>  <Formula> (90)
C24H29N5O3

>  <MolWeight> (90)
435.51876

>  <Item Name> (90)
Valsartan (Diovan)

>  <Catalog Number> (90)
S1894

>  <Synonyms> (90)
N/A 

>  <Target> (90)
RAAS

>  <Form> (90)
Free Base

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

>  <CAS Number> (90)
137862-53-4

$$$$

csChFnd80/08251616502D

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    6.0620   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.9999    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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 10  5  1  0  0  0  0
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 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (91)
218

>  <Formula> (91)
C24H40N8O4

>  <MolWeight> (91)
504.6256

>  <Item Name> (91)
Dipyridamole (Persantine)

>  <Catalog Number> (91)
S1895

>  <Synonyms> (91)
Permole

>  <Target> (91)
Others

>  <Form> (91)
Free Base

>  <URL> (91)
http://www.selleckchem.com/products/Dipyridamole(Permole,-Persantine).html

>  <CAS Number> (91)
58-32-2

$$$$
Hydroxyurea.cdx
csChFnd80/08251616502D

  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
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  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> (92)
219

>  <Formula> (92)
CH4N2O2

>  <MolWeight> (92)
76.05466

>  <Item Name> (92)
Hydroxyurea (Cytodrox)

>  <Catalog Number> (92)
S1896

>  <Synonyms> (92)
Hydrea, Biosupressin

>  <Target> (92)
Others

>  <Form> (92)
Free Base

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

>  <CAS Number> (92)
127-07-1

$$$$
IOSAT (potassium iodide).cdx
csChFnd80/08251616502D

  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> (93)
220

>  <Formula> (93)
IK

>  <MolWeight> (93)
166.00277

>  <Item Name> (93)
Potassium iodide

>  <Catalog Number> (93)
S1897

>  <Synonyms> (93)
N/A 

>  <Target> (93)
Others

>  <Form> (93)
Inorganic salt

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

>  <CAS Number> (93)
7681-11-0

$$$$
Tropisetron hydrochloride.cdx
csChFnd80/08251616502D

 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
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 10  9  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (94)
221

>  <Formula> (94)
C17H21ClN2O2

>  <MolWeight> (94)
320.81384

>  <Item Name> (94)
Tropisetron HCl

>  <Catalog Number> (94)
S1898

>  <Synonyms> (94)
Navoban

>  <Target> (94)
Others

>  <Form> (94)
Hydrochloride

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

>  <CAS Number> (94)
105826-92-4 

$$$$
Nicotinamide.cdx
csChFnd80/08251616502D

  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
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    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 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
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  5  6  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> (95)
222

>  <Formula> (95)
C6H6N2O

>  <MolWeight> (95)
122.12464

>  <Item Name> (95)
Nicotinamide (Niacinamide)

>  <Catalog Number> (95)
S1899

>  <Synonyms> (95)
Niacinamide, Nicotinic acid amide 

>  <Target> (95)
NULL

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/Nicotinamide(Niacinamide).html

>  <CAS Number> (95)
98-92-0

$$$$
Vitamin B12.cdx
csChFnd80/08251616502D

 94100  0  0  0  0  0  0  0  0999 V2000
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    4.2547   14.9370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5939   15.1971    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.8803   16.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5530   16.2838    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6008   17.2195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (96)
223

>  <Formula> (96)
C63H88CoN14O14P

>  <MolWeight> (96)
1355.365181

>  <Item Name> (96)
Vitamin B12

>  <Catalog Number> (96)
S1902

>  <Synonyms> (96)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (96)
Others

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/Vitamin-B12.html

>  <CAS Number> (96)
68-19-9

$$$$
ARTHROTEC (diclofenac sodium).cdx
csChFnd80/08251616502D

 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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    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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    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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M  END
>  <Mol_ID> (97)
224

>  <Formula> (97)
C14H10Cl2NNaO2

>  <MolWeight> (97)
318.13047

>  <Item Name> (97)
Diclofenac

>  <Catalog Number> (97)
S1903

>  <Synonyms> (97)
Voltaren, Solaraze, Ecofenac 

>  <Target> (97)
COX

>  <Form> (97)
Sodium Salt 

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

>  <CAS Number> (97)
15307-79-6

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/08251616502D

 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
    3.1595    5.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    5.2643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.9558    4.4353    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1072    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    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
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (98)
225

>  <Formula> (98)
C6H9N3O3

>  <MolWeight> (98)
171.15396

>  <Item Name> (98)
Metronidazole (Flagyl)

>  <Catalog Number> (98)
S1907

>  <Synonyms> (98)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587 

>  <Target> (98)
Others

>  <Form> (98)
Free Base

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

>  <CAS Number> (98)
443-48-1

$$$$
Flutamide .cdx
csChFnd80/08251616502D

 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
    4.8624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2873    2.1000    0.0000 C   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
    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
  5  6  2  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (99)
226

>  <Formula> (99)
C11H11F3N2O3

>  <MolWeight> (99)
276.2118496

>  <Item Name> (99)
Flutamide (Eulexin)

>  <Catalog Number> (99)
S1908

>  <Synonyms> (99)
Flutamin, Drogenil 

>  <Target> (99)
P450

>  <Form> (99)
Free Base

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

>  <CAS Number> (99)
13311-84-7

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/08251616502D

 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
    2.1000    4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.7467    7.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835    8.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199    7.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9151    1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9555    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2870    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5377    3.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3238    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  7  8  2  0  0  0  0
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  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
 22 27  1  1  0  0  0
 24 28  1  1  0  0  0
 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (100)
227

>  <Formula> (100)
C24H25FNNaO4

>  <MolWeight> (100)
433.4477732

>  <Item Name> (100)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (100)
S1909

>  <Synonyms> (100)
Vastin

>  <Target> (100)
HMG-CoA Reductase

>  <Form> (100)
Sodium

>  <URL> (100)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (100)
93957-55-2

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/08251616502D

 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
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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
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 10 11  1  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> (101)
228

>  <Formula> (101)
C10H11N3O3S

>  <MolWeight> (101)
253.27764

>  <Item Name> (101)
Sulfamethoxazole

>  <Catalog Number> (101)
S1915

>  <Synonyms> (101)
Gantanol

>  <Target> (101)
Others

>  <Form> (101)
Free Base

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

>  <CAS Number> (101)
723-46-6

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/08251616502D

 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
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1000    0.0000 C   0  0  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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    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (102)
229

>  <Formula> (102)
C11H13N3O3S

>  <MolWeight> (102)
267.30422

>  <Item Name> (102)
Sulfisoxazole

>  <Catalog Number> (102)
S1916

>  <Synonyms> (102)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (102)
Others

>  <Form> (102)
Free Base

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

>  <CAS Number> (102)
127-69-5

$$$$

csChFnd80/08251616502D

 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
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   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
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    2.7999  -11.1854    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
  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> (103)
230

>  <Formula> (103)
C25H30ClN3

>  <MolWeight> (103)
407.9788

>  <Item Name> (103)
Crystal violet 

>  <Catalog Number> (103)
S1917

>  <Synonyms> (103)
Gentian violet, Hexamethyl pararosaniline chloride 

>  <Target> (103)
Others

>  <Form> (103)
chloride

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

>  <CAS Number> (103)
548-62-9

$$$$
HALDOL (haloperidol).cdx
csChFnd80/08251616502D

 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
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   10.8867    0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 19  1  0  0  0  0
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 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (104)
231

>  <Formula> (104)
C21H23ClFNO2

>  <MolWeight> (104)
375.8642232

>  <Item Name> (104)
Haloperidol (Haldol)

>  <Catalog Number> (104)
S1920

>  <Synonyms> (104)
Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

>  <Target> (104)
Others

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/Haloperidol(Haldol).html

>  <CAS Number> (104)
52-86-8

$$$$
HEDULIN (phenindione).cdx
csChFnd80/08251616502D

 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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  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  5  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  2  0  0  0  0
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 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
M  END
>  <Mol_ID> (105)
232

>  <Formula> (105)
C15H10O2

>  <MolWeight> (105)
222.2387

>  <Item Name> (105)
Phenindione (Rectadione)

>  <Catalog Number> (105)
S1921

>  <Synonyms> (105)
Dindevan, Rectadione

>  <Target> (105)
Others

>  <Form> (105)
Free Base

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

>  <CAS Number> (105)
83-12-5

$$$$
Irsogladine.cdx
csChFnd80/08251616502D

 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
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4927    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
    2.4249    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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> (106)
233

>  <Formula> (106)
C9H7Cl2N5

>  <MolWeight> (106)
256.09138

>  <Item Name> (106)
Irsogladine

>  <Catalog Number> (106)
S1929

>  <Synonyms> (106)
N/A

>  <Target> (106)
Others

>  <Form> (106)
Free Base

>  <URL> (106)
http://www.selleckchem.com/products/Irsogladine-maleate.html

>  <CAS Number> (106)
57381-26-7

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/08251616502D

 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
    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
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   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
 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> (107)
234

>  <Formula> (107)
C21H27FO6

>  <MolWeight> (107)
394.4338832

>  <Item Name> (107)
Triamcinolone (Aristocort)

>  <Catalog Number> (107)
S1933

>  <Synonyms> (107)
Kenacort, Tri-Nasal, Triaderm, Azmacort, Trilone, Volon A, Tristoject, Fougera, Tricortone

>  <Target> (107)
Others

>  <Form> (107)
Free Base

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

>  <CAS Number> (107)
124-94-7

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/08251616502D

 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
    8.3046    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0046    3.1948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3679    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9984    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5658    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.7006    4.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4687    2.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091    1.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8406    2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0046    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4295    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2171    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2171    5.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4295    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    5.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8544    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8544    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0668    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2792    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2792    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0668    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1262   11.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4956   10.8871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3630    8.9254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4262    9.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0339    9.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    5.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    7.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    7.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    5.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    4.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045    3.5790    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
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  3  6  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  1  0  0  0  0
 13 14  1  0  0  0  0
  1 13  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
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
 17 23  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
 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
  5 16  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 40  2  0  0  0  0
 36 40  1  0  0  0  0
 37 41  2  0  0  0  0
 40 42  1  0  0  0  0
 35 39  1  0  0  0  0
 12 35  1  0  0  0  0
M  END
>  <Mol_ID> (108)
235

>  <Formula> (108)
C30H24N4O8

>  <MolWeight> (108)
568.53356

>  <Item Name> (108)
Azilsartan Medoxomil (TAK-491)

>  <Catalog Number> (108)
S3057

>  <Synonyms> (108)
N/A

>  <Target> (108)
RAAS

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

>  <CAS Number> (108)
863031-21-4

$$$$
Medetomidine hcl.cdx
csChFnd80/08251616502D

 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
    4.6204    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  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> (109)
236

>  <Formula> (109)
C13H17ClN2

>  <MolWeight> (109)
236.74048

>  <Item Name> (109)
Medetomidine HCl

>  <Catalog Number> (109)
S3060

>  <Synonyms> (109)
N/A

>  <Target> (109)
Adrenergic Receptor

>  <Form> (109)
HCl

>  <URL> (109)
http://www.selleckchem.com/products/medetomidine-hcl.html

>  <CAS Number> (109)
86347-15-1

$$$$
Cilostazol.cdx
csChFnd80/08251616502D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4537    3.2397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8231    2.9486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5231    4.1611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5863    5.2015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4169    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0854    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3361    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6676    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7080    0.9368    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
  2 11  2  0  0  0  0
  9 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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  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
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (110)
239

>  <Formula> (110)
C20H27N5O2

>  <MolWeight> (110)
369.46068

>  <Item Name> (110)
Cilostazol

>  <Catalog Number> (110)
S1294

>  <Synonyms> (110)
Pletal

>  <Target> (110)
PDE

>  <Form> (110)
Free Base

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

>  <CAS Number> (110)
73963-72-1

$$$$
Floxuridine.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.4963    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    2.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7963    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1963    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9558    2.8913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (111)
241

>  <Formula> (111)
C9H11FN2O5

>  <MolWeight> (111)
246.1924432

>  <Item Name> (111)
Floxuridine

>  <Catalog Number> (111)
S1299

>  <Synonyms> (111)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (111)
DNA/RNA Synthesis

>  <Form> (111)
Free Base

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

>  <CAS Number> (111)
50-91-9

$$$$
Ftorafur.cdx
csChFnd80/08251616502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (112)
242

>  <Formula> (112)
C8H9FN2O3

>  <MolWeight> (112)
200.1670632

>  <Item Name> (112)
Tegafur (FT-207, NSC 148958)

>  <Catalog Number> (112)
S1300

>  <Synonyms> (112)
N/A

>  <Target> (112)
DNA/RNA Synthesis

>  <Form> (112)
Free Base

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

>  <CAS Number> (112)
17902-23-7

$$$$
Ifosfamide.cdx
csChFnd80/08251616502D

 14 14  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
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M  END
>  <Mol_ID> (113)
244

>  <Formula> (113)
C7H15Cl2N2O2P

>  <MolWeight> (113)
261.085961

>  <Item Name> (113)
Ifosfamide

>  <Catalog Number> (113)
S1302

>  <Synonyms> (113)
Mitoxana, Ifex

>  <Target> (113)
DNA/RNA Synthesis

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/Ifosfamide.html

>  <CAS Number> (113)
3778-73-2

$$$$
Megestrol Acetate.cdx
csChFnd80/08251616502D

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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (114)
245

>  <Formula> (114)
C24H32O4

>  <MolWeight> (114)
384.50848

>  <Item Name> (114)
Megestrol Acetate

>  <Catalog Number> (114)
S1304

>  <Synonyms> (114)
Megace, Megace ES

>  <Target> (114)
Androgen Receptor

>  <Form> (114)
Acetate

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

>  <CAS Number> (114)
595-33-5

$$$$
Mercaptopurine.cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (115)
246

>  <Formula> (115)
C5H4N4S

>  <MolWeight> (115)
152.17706

>  <Item Name> (115)
Mercaptopurine

>  <Catalog Number> (115)
S1305

>  <Synonyms> (115)
Purinethol, 6-mercaptopurine, 6-MP 

>  <Target> (115)
DNA/RNA Synthesis 

>  <Form> (115)
Free Base

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

>  <CAS Number> (115)
50-44-2

$$$$
Streptozocin.cdx
csChFnd80/08251616502D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (116)
248

>  <Formula> (116)
C8H15N3O7

>  <MolWeight> (116)
265.2206

>  <Item Name> (116)
Streptozotocin (Zanosar)

>  <Catalog Number> (116)
S1312

>  <Synonyms> (116)
Streptozocin, Zanosar, STZ

>  <Target> (116)
Others

>  <Form> (116)
Free Base

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

>  <CAS Number> (116)
18883-66-4

$$$$
Dexamethasone.cdx
csChFnd80/08251616502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (117)
254

>  <Formula> (117)
C22H29FO5

>  <MolWeight> (117)
392.4610632

>  <Item Name> (117)
Dexamethasone

>  <Catalog Number> (117)
S1322

>  <Synonyms> (117)
Decadron

>  <Target> (117)
IL Receptor

>  <Form> (117)
Free Base

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

>  <CAS Number> (117)
50-02-2

$$$$
Doxazosin mesylate.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (118)
255

>  <Formula> (118)
C24H29N5O8S

>  <MolWeight> (118)
547.58076

>  <Item Name> (118)
Doxazosin mesylate

>  <Catalog Number> (118)
S1324

>  <Synonyms> (118)
Cardura, Carduran 

>  <Target> (118)
Adrenergic Receptor

>  <Form> (118)
Mesylate

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

>  <CAS Number> (118)
77883-43-3

$$$$
Etodolac.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (119)
257

>  <Formula> (119)
C17H21NO3

>  <MolWeight> (119)
287.35354

>  <Item Name> (119)
Etodolac (Lodine)

>  <Catalog Number> (119)
S1328

>  <Synonyms> (119)
Lodine, Lodine XL

>  <Target> (119)
COX
COX

>  <Form> (119)
Free Base

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

>  <CAS Number> (119)
41340-25-4

$$$$
Etomidate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (120)
258

>  <Formula> (120)
C14H16N2O2

>  <MolWeight> (120)
244.28904

>  <Item Name> (120)
Etomidate

>  <Catalog Number> (120)
S1329

>  <Synonyms> (120)
Amidate

>  <Target> (120)
GABA Receptor

>  <Form> (120)
Free Base

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

>  <CAS Number> (120)
33125-97-2

$$$$
Fluconazole.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (121)
259

>  <Formula> (121)
C13H12F2N6O

>  <MolWeight> (121)
306.2707864

>  <Item Name> (121)
Fluconazole

>  <Catalog Number> (121)
S1331

>  <Synonyms> (121)
Diflucan, Trican, Alfumet

>  <Target> (121)
Others

>  <Form> (121)
Free Base

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

>  <CAS Number> (121)
86386-73-4

$$$$
Flumazenil.cdx
csChFnd80/08251616502D

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    4.6022    5.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4172    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9624    0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2001    5.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7866    6.7872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0032    4.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3927    4.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1958    3.3647    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
 11  5  1  0  0  0  0
  2 12  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 11  1  0  0  0  0
  7 16  2  0  0  0  0
  8 17  1  0  0  0  0
 13 18  1  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (122)
260

>  <Formula> (122)
C15H14FN3O3

>  <MolWeight> (122)
303.2883632

>  <Item Name> (122)
Flumazenil

>  <Catalog Number> (122)
S1332

>  <Synonyms> (122)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (122)
GABA Receptor

>  <Form> (122)
Free Base

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

>  <CAS Number> (122)
78755-81-4

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/08251616502D

 23 23  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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    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4660    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    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
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   12.0907    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2232    2.7708    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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  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
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 10 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 10  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (123)
261

>  <Formula> (123)
C17H19ClF3NO

>  <MolWeight> (123)
345.7870696

>  <Item Name> (123)
Fluoxetine  HCl

>  <Catalog Number> (123)
S1333

>  <Synonyms> (123)
Prozac, Sarafem

>  <Target> (123)
5-HT Receptor

>  <Form> (123)
Hydrochloride

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

>  <CAS Number> (123)
56296-78-7

$$$$
Gatifloxacin.cdx
csChFnd80/08251616502D

 27 30  0  0  0  0  0  0  0  0999 V2000
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4976    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
 12  2  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
  7 18  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
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 26 11  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (124)
265

>  <Formula> (124)
C19H22FN3O4

>  <MolWeight> (124)
375.3940832

>  <Item Name> (124)
Gatifloxacin

>  <Catalog Number> (124)
S1340

>  <Synonyms> (124)
Gatiflo,Tequin and Zymar

>  <Target> (124)
Others

>  <Form> (124)
Free Base

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

>  <CAS Number> (124)
112811-59-3

$$$$
Genistein.cdx
csChFnd80/08251616502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    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
    1.2082    2.1000    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
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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
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
>  <Mol_ID> (125)
266

>  <Formula> (125)
C15H10O5

>  <MolWeight> (125)
270.2369

>  <Item Name> (125)
Genistein

>  <Catalog Number> (125)
S1342

>  <Synonyms> (125)
N/A

>  <Target> (125)
Topoisomerase
EGFR

>  <Form> (125)
Free Base

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

>  <CAS Number> (125)
446-72-0

$$$$
Glimepiride.cdx
csChFnd80/08251616502D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.5406    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9655    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1737    4.8951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3820    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5902    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7984    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5902    6.2903    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
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  6  1  1  0  0  0  0
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  9 10  1  0  0  0  0
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 12 10  1  1  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  6  0  0  0
  7 19  2  0  0  0  0
  7 20  2  0  0  0  0
  2 21  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 21  1  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 22  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 29 33  2  0  0  0  0
 23 34  2  0  0  0  0
M  END
>  <Mol_ID> (126)
268

>  <Formula> (126)
C24H34N4O5S

>  <MolWeight> (126)
490.61556

>  <Item Name> (126)
Glimepiride

>  <Catalog Number> (126)
S1344

>  <Synonyms> (126)
Amaryl, Glista OD

>  <Target> (126)
DPP-4

>  <Form> (126)
Free Base

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

>  <CAS Number> (126)
93479-97-1

$$$$
Ketoconazole.cdx
csChFnd80/08251616502D

 36 40  0  0  0  0  0  0  0  0999 V2000
    5.3005   11.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382    9.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9281    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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271

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C26H28Cl2N4O4

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531.43092

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Ketoconazole

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S1353

>  <Synonyms> (127)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (127)
P450

>  <Form> (127)
Free Base

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

>  <CAS Number> (127)
65277-42-1

$$$$
Lansoprazole.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (128)
272

>  <Formula> (128)
C16H14F3N3O2S

>  <MolWeight> (128)
369.3614696

>  <Item Name> (128)
Lansoprazole

>  <Catalog Number> (128)
S1354

>  <Synonyms> (128)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab

>  <Target> (128)
Proton Pump

>  <Form> (128)
Free Base

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

>  <CAS Number> (128)
103577-45-3

$$$$
Levetiracetam.cdx
csChFnd80/08251616502D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (129)
273

>  <Formula> (129)
C8H14N2O2

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Levetiracetam

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S1356

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Keppra, Keppra XR

>  <Target> (129)
Others

>  <Form> (129)
Free Base

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

>  <CAS Number> (129)
102767-28-2

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (130)
274

>  <Formula> (130)
C22H23ClN2O2

>  <MolWeight> (130)
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>  <Item Name> (130)
Loratadine

>  <Catalog Number> (130)
S1358

>  <Synonyms> (130)
Alavert, Claritin

>  <Target> (130)
Histamine Receptor

>  <Form> (130)
Free Base

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

>  <CAS Number> (130)
79794-75-5

$$$$
Acitretin.cdx
csChFnd80/08251616502D

 24 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (131)
283

>  <Formula> (131)
C21H26O3

>  <MolWeight> (131)
326.42934

>  <Item Name> (131)
Acitretin

>  <Catalog Number> (131)
S1368

>  <Synonyms> (131)
Soriatane

>  <Target> (131)
Others

>  <Form> (131)
Free Base

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

>  <CAS Number> (131)
55079-83-9

$$$$
Gestodene.cdx
csChFnd80/08251616502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (132)
287

>  <Formula> (132)
C21H26O2

>  <MolWeight> (132)
310.42994

>  <Item Name> (132)
Gestodene

>  <Catalog Number> (132)
S1376

>  <Synonyms> (132)
N/A

>  <Target> (132)
Estrogen/progestogen Receptor

>  <Form> (132)
Free Base

>  <URL> (132)
http://www.selleckchem.com/products/Gestodene.html

>  <CAS Number> (132)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/08251616502D

 34 40  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
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 10  5  1  0  0  0  0
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 11  8  1  0  0  0  0
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>  <Mol_ID> (133)
288

>  <Formula> (133)
C24H30O3

>  <MolWeight> (133)
366.4932

>  <Item Name> (133)
Drospirenone

>  <Catalog Number> (133)
S1377

>  <Synonyms> (133)
Angeliq

>  <Target> (133)
Estrogen/progestogen Receptor

>  <Form> (133)
Free Base

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

>  <CAS Number> (133)
67392-87-4

$$$$
Isotretinoin.cdx
csChFnd80/08251616502D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
289

>  <Formula> (134)
C20H28O2

>  <MolWeight> (134)
300.43512

>  <Item Name> (134)
Isotretinoin

>  <Catalog Number> (134)
S1379

>  <Synonyms> (134)
Accutane, Amnesteem, Claravis, Sotret

>  <Target> (134)
Hydroxylase

>  <Form> (134)
Free Base

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

>  <CAS Number> (134)
4759-48-2

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/08251616502D

 46 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (135)
290

>  <Formula> (135)
C37H48N4O5

>  <MolWeight> (135)
628.80082

>  <Item Name> (135)
Lopinavir (ABT-378)

>  <Catalog Number> (135)
S1380

>  <Synonyms> (135)
ABT-378

>  <Target> (135)
HIV Protease

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
192725-17-0

$$$$
Meropenem.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (136)
291

>  <Formula> (136)
C17H25N3O5S

>  <MolWeight> (136)
383.4625

>  <Item Name> (136)
Meropenem

>  <Catalog Number> (136)
S1381

>  <Synonyms> (136)
Merrem, Meronem

>  <Target> (136)
Others

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/Meropenem.html

>  <CAS Number> (136)
96036-03-2

$$$$
Mianserin hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (137)
292

>  <Formula> (137)
C18H21ClN2

>  <MolWeight> (137)
300.82574

>  <Item Name> (137)
Mianserin hydrochloride

>  <Catalog Number> (137)
S1382

>  <Synonyms> (137)
Bolvidon, Norval, Tolvon

>  <Target> (137)
Others

>  <Form> (137)
Hydrochloride

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

>  <CAS Number> (137)
21535-47-7

$$$$
Mosapride citrate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (138)
295

>  <Formula> (138)
C27H33ClFN3O10

>  <MolWeight> (138)
614.0164232

>  <Item Name> (138)
Mosapride citrate

>  <Catalog Number> (138)
S1385

>  <Synonyms> (138)
TAK-370, AS-4370, Gasmot

>  <Target> (138)
5-HT Receptor

>  <Form> (138)
Citrate

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

>  <CAS Number> (138)
112885-42-4

$$$$
Nafamostat mesylate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (139)
296

>  <Formula> (139)
C21H25N5O8S2

>  <MolWeight> (139)
539.5819

>  <Item Name> (139)
Nafamostat mesylate

>  <Catalog Number> (139)
S1386

>  <Synonyms> (139)
Futhan, FUT-175

>  <Target> (139)
Proteasome

>  <Form> (139)
Mesylate

>  <URL> (139)
http://www.selleckchem.com/products/Nafamostat-mesylate.html

>  <CAS Number> (139)
82956-11-4

$$$$
Omeprazole.cdx
csChFnd80/08251616502D

 24 26  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
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M  END
>  <Mol_ID> (140)
298

>  <Formula> (140)
C17H19N3O3S

>  <MolWeight> (140)
345.41606

>  <Item Name> (140)
Omeprazole (Prilosec)

>  <Catalog Number> (140)
S1389

>  <Synonyms> (140)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (140)
Proton Pump, ATPase

>  <Form> (140)
Free Base

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

>  <CAS Number> (140)
73590-58-6

$$$$
Ondansetron hydrochloride.cdx
csChFnd80/08251616502D

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  4  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  9  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (141)
299

>  <Formula> (141)
C18H20ClN3O

>  <MolWeight> (141)
329.8239

>  <Item Name> (141)
Ondansetron hydrochloride (Zofran)

>  <Catalog Number> (141)
S1390

>  <Synonyms> (141)
Ondemet, Emeset, Emetron

>  <Target> (141)
5-HT Receptor

>  <Form> (141)
Hydrochloride

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

>  <CAS Number> (141)
99614-01-4

$$$$
Pizotifen malate.cdx
csChFnd80/08251616502D

 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> (142)
301

>  <Formula> (142)
C23H27NO5S

>  <MolWeight> (142)
429.52918

>  <Item Name> (142)
Pizotifen malate

>  <Catalog Number> (142)
S1394

>  <Synonyms> (142)
Sandomigran, pizotyline

>  <Target> (142)
Others

>  <Form> (142)
Malate

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

>  <CAS Number> (142)
5189-11-7

$$$$
resveratrol.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (143)
302

>  <Formula> (143)
C14H12O3

>  <MolWeight> (143)
228.24328

>  <Item Name> (143)
Resveratrol

>  <Catalog Number> (143)
S1396

>  <Synonyms> (143)
N/A

>  <Target> (143)
Sirtuin

>  <Form> (143)
Free Base

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

>  <CAS Number> (143)
501-36-0

$$$$
Rocuronium bromide.cdx
csChFnd80/08251616502D

 43 47  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (144)
303

>  <Formula> (144)
C32H53BrN2O4

>  <MolWeight> (144)
609.67822

>  <Item Name> (144)
Rocuronium bromide

>  <Catalog Number> (144)
S1397

>  <Synonyms> (144)
Zemuron, Esmeron

>  <Target> (144)
AChR

>  <Form> (144)
Bromide

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

>  <CAS Number> (144)
119302-91-9

$$$$
Stavudine.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (145)
304

>  <Formula> (145)
C10H12N2O4

>  <MolWeight> (145)
224.21328

>  <Item Name> (145)
Stavudine

>  <Catalog Number> (145)
S1398

>  <Synonyms> (145)
Zerit

>  <Target> (145)
Reverse Transcriptase

>  <Form> (145)
Free Base

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

>  <CAS Number> (145)
3056-17-5

$$$$

csChFnd80/08251616502D

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>  <Mol_ID> (146)
305

>  <Formula> (146)
C23H34N5O14P

>  <MolWeight> (146)
635.514921

>  <Item Name> (146)
Tenofovir Disoproxil Fumarate

>  <Catalog Number> (146)
S1400

>  <Synonyms> (146)
Viread

>  <Target> (146)
Reverse Transcriptase

>  <Form> (146)
Fumarate

>  <URL> (146)
http://www.selleckchem.com/products/Tenofovir-Disoproxil-Fumarate.html

>  <CAS Number> (146)
202138-50-9

$$$$
Tenofovir(PMPA).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (147)
306

>  <Formula> (147)
C9H14N5O4P

>  <MolWeight> (147)
287.212321

>  <Item Name> (147)
Tenofovir (Viread)

>  <Catalog Number> (147)
S1401

>  <Synonyms> (147)
Viread

>  <Target> (147)
Reverse Transcriptase

>  <Form> (147)
Free Base

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

>  <CAS Number> (147)
147127-20-6

$$$$
Tigecycline.cdx
csChFnd80/08251616502D

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Free Base

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

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220620-09-7

$$$$
Trilostane.cdx
csChFnd80/08251616502D

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S1404

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Vetoryl

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Dehydrogenase

>  <Form> (149)
Free Base

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

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13647-35-3

$$$$
Vecuronium Bromide.cdx
csChFnd80/08251616502D

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Norcuron, Org NC 45

>  <Target> (150)
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Bromide

>  <URL> (150)
http://www.selleckchem.com/products/Vecuronium-Bromide.html#

>  <CAS Number> (150)
50700-72-6

$$$$
bimatoprost.cdx
csChFnd80/08251616502D

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Lumigan

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Free Base

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

>  <CAS Number> (151)
155206-00-1

$$$$
Linezolid.cdx
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   13.6722    5.3661    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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  2  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  3 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  7  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  1  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (152)
312

>  <Formula> (152)
C16H20FN3O4

>  <MolWeight> (152)
337.3461032

>  <Item Name> (152)
Linezolid (Zyvox)

>  <Catalog Number> (152)
S1408

>  <Synonyms> (152)
Zyvoxid, Zyvoxam

>  <Target> (152)
Others

>  <Form> (152)
Free Base

>  <URL> (152)
http://www.selleckchem.com/products/Linezolid(Zyvox).html

>  <CAS Number> (152)
165800-03-3

$$$$
Alfuzosin HCl.cdx
csChFnd80/08251616502D

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.4207    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.3521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0042    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.4472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.2545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.2545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.2545    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4786    1.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    5.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0903    1.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4884    1.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9901    3.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9021    4.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3887    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
  8 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
 16 23  1  0  0  0  0
 21 24  2  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
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
M  END
>  <Mol_ID> (153)
313

>  <Formula> (153)
C19H28ClN5O4

>  <MolWeight> (153)
425.90972

>  <Item Name> (153)
Alfuzosin hydrochloride (Uroxatral)

>  <Catalog Number> (153)
S1409

>  <Synonyms> (153)
Uroxatral

>  <Target> (153)
Adrenergic Receptor

>  <Form> (153)
Hydrochloride

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

>  <CAS Number> (153)
81403-68-1

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/08251616502D

 26 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 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  2  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
    1.2124    4.1951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    0.2674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    2.5326    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
    2.4249    4.8903    0.0000 O   0  0  0  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
    6.0495    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4392    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    4.1665    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2392    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    5.5665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    2.7665    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
  6  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
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  8  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 13  1  0  0  0  0
  7 18  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  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
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (154)
315

>  <Formula> (154)
C16H18ClNO6S2

>  <MolWeight> (154)
419.90022

>  <Item Name> (154)
Clopidogrel (Plavix)

>  <Catalog Number> (154)
S1415

>  <Synonyms> (154)
Iscover 

>  <Target> (154)
P2 Receptor

>  <Form> (154)
Sulfate

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

>  <CAS Number> (154)
120202-66-6

$$$$
5-Aminolevulinic acid hydrochloride.cdx
csChFnd80/08251616502D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    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
    9.9360    1.8512    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  7  1  0  0  0  0
  3  8  2  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (155)
316

>  <Formula> (155)
C5H10ClNO3

>  <MolWeight> (155)
167.5908

>  <Item Name> (155)
5-Aminolevulinic acid hydrochloride

>  <Catalog Number> (155)
S2553

>  <Synonyms> (155)
Levulan, ALA

>  <Target> (155)
Others

>  <Form> (155)
Hydrochloride

>  <URL> (155)
http://www.selleckchem.com/products/5-Aminolevulinic-acid-hydrochloride.html

>  <CAS Number> (155)
5451-09-2

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/08251616502D

 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
    5.4039    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8246    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6121    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8203    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0286    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0286    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4534    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4534    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6617    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8699    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0823    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2948    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2948    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0823    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8699    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5072    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7196    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7196    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5072    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5072    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2990    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0878    3.4964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6878    3.4964    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
  4  8  1  0  0  0  0
  3  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
 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
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 22 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> (156)
318

>  <Formula> (156)
C24H35Cl2N3O4

>  <MolWeight> (156)
500.4584

>  <Item Name> (156)
Ranolazine dihydrochloride

>  <Catalog Number> (156)
S1425

>  <Synonyms> (156)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (156)
Calcium Channel

>  <Form> (156)
Dihydrochloride

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

>  <CAS Number> (156)
95635-56-6

$$$$
Repaglinide.cdx
csChFnd80/08251616502D

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3927    0.0000 C   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
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1903    0.0000 N   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
   10.8825    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0907    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (157)
319

>  <Formula> (157)
C27H36N2O4

>  <MolWeight> (157)
452.58574

>  <Item Name> (157)
Repaglinide

>  <Catalog Number> (157)
S1426

>  <Synonyms> (157)
Prandin, GlucoNorm, NovoNorm

>  <Target> (157)
Potassium Channel

>  <Form> (157)
Free Base

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

>  <CAS Number> (157)
135062-02-1

$$$$
Rolipram.cdx
csChFnd80/08251616502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7761    2.4207    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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 17  9  1  0  0  0  0
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M  END
>  <Mol_ID> (158)
321

>  <Formula> (158)
C16H21NO3

>  <MolWeight> (158)
275.34284

>  <Item Name> (158)
Rolipram

>  <Catalog Number> (158)
S1430

>  <Synonyms> (158)
N/A

>  <Target> (158)
PDE

>  <Form> (158)
Free Base

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

>  <CAS Number> (158)
61413-54-5

$$$$
Sildenafil citrate.cdx
csChFnd80/08251616502D

 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (159)
323

>  <Formula> (159)
C28H38N6O11S

>  <MolWeight> (159)
666.69992

>  <Item Name> (159)
Sildenafil citrate

>  <Catalog Number> (159)
S1431

>  <Synonyms> (159)
Viagra, Revatio 

>  <Target> (159)
PDE

>  <Form> (159)
Citrate

>  <URL> (159)
http://www.selleckchem.com/products/Sildenafil-citrate.html

>  <CAS Number> (159)
171599-83-0

$$$$

csChFnd80/08251616502D

 28 28  0  0  0  0  0  0  0  0999 V2000
    7.6498   -7.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (160)
324

>  <Formula> (160)
C18H27N3O6S

>  <MolWeight> (160)
413.48848

>  <Item Name> (160)
Sumatriptan succinate

>  <Catalog Number> (160)
S1432

>  <Synonyms> (160)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (160)
5-HT Receptor

>  <Form> (160)
Succinate

>  <URL> (160)
http://www.selleckchem.com/products/Sumatriptan-succinate.html

>  <CAS Number> (160)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/08251616502D

 30 31  0  0  0  0  0  0  0  0999 V2000
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    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
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 23 24  1  0  0  0  0
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 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> (161)
325

>  <Formula> (161)
C21H24ClN2NaO4S

>  <MolWeight> (161)
458.93403

>  <Item Name> (161)
Tianeptine sodium

>  <Catalog Number> (161)
S1436

>  <Synonyms> (161)
Stablon, Coaxil, Tatinol

>  <Target> (161)
5-HT Receptor

>  <Form> (161)
Sodium Salt

>  <URL> (161)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (161)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/08251616502D

 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
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    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
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   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> (162)
326

>  <Formula> (162)
C12H21NO8S

>  <MolWeight> (162)
339.36204

>  <Item Name> (162)
Topiramate

>  <Catalog Number> (162)
S1438

>  <Synonyms> (162)
Topamax

>  <Target> (162)
Carbonic Anhydrase

>  <Form> (162)
Free Base

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

>  <CAS Number> (162)
97240-79-4

$$$$
Tranilast.cdx
csChFnd80/08251616502D

 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> (163)
327

>  <Formula> (163)
C18H17NO5

>  <MolWeight> (163)
327.33128

>  <Item Name> (163)
Tranilast (SB 252218)

>  <Catalog Number> (163)
S1439

>  <Synonyms> (163)
Rizaben, MK 341, Tranpro

>  <Target> (163)
Others

>  <Form> (163)
Free Base

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

>  <CAS Number> (163)
53902-12-8
53902-12-8

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/08251616502D

 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
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    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
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    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> (164)
329

>  <Formula> (164)
C17H28ClNO2

>  <MolWeight> (164)
313.86272

>  <Item Name> (164)
Venlafaxine

>  <Catalog Number> (164)
S1441

>  <Synonyms> (164)
Effexor, Efexor 

>  <Target> (164)
5-HT Receptor

>  <Form> (164)
Hydrochloride

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

>  <CAS Number> (164)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/08251616502D

 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
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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> (165)
330

>  <Formula> (165)
C16H14F3N5O

>  <MolWeight> (165)
349.3104696

>  <Item Name> (165)
Voriconazole

>  <Catalog Number> (165)
S1442

>  <Synonyms> (165)
Vfend

>  <Target> (165)
P450

>  <Form> (165)
Free Base

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

>  <CAS Number> (165)
137234-62-9

$$$$
Zileuton.cdx
csChFnd80/08251616502D

 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
    8.0671    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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>  <Mol_ID> (166)
331

>  <Formula> (166)
C11H12N2O2S

>  <MolWeight> (166)
236.29018

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Zileuton

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S1443

>  <Synonyms> (166)
ZYFLO

>  <Target> (166)
Others

>  <Form> (166)
Free Base

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

>  <CAS Number> (166)
111406-87-2

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (167)
332

>  <Formula> (167)
C21H22Cl2N4OS

>  <MolWeight> (167)
449.39658

>  <Item Name> (167)
Ziprasidone hydrochloride

>  <Catalog Number> (167)
S1444

>  <Synonyms> (167)
Geodon, Zeldox

>  <Target> (167)
Others

>  <Form> (167)
Hydrochloride

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

>  <CAS Number> (167)
122883-93-6

$$$$
Zonisamide.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (168)
333

>  <Formula> (168)
C8H8N2O3S

>  <MolWeight> (168)
212.22572

>  <Item Name> (168)
Zonisamide

>  <Catalog Number> (168)
S1445

>  <Synonyms> (168)
Zonegran

>  <Target> (168)
Others

>  <Form> (168)
Free Base

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

>  <CAS Number> (168)
68291-97-4

$$$$
Marbofloxacin.cdx
csChFnd80/08251616502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (169)
347

>  <Formula> (169)
C17H19FN4O4

>  <MolWeight> (169)
362.3555632

>  <Item Name> (169)
Marbofloxacin

>  <Catalog Number> (169)
S1464

>  <Synonyms> (169)
Marbocyl, Zeniquin

>  <Target> (169)
Others

>  <Form> (169)
Free Base

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

>  <CAS Number> (169)
115550-35-1

$$$$
Calcitriol .cdx
csChFnd80/08251616502D

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>  <Mol_ID> (170)
348

>  <Formula> (170)
C27H44O3

>  <MolWeight> (170)
416.63646

>  <Item Name> (170)
Calcitriol (Rocaltrol)

>  <Catalog Number> (170)
S1466

>  <Synonyms> (170)
Calcijex, Silkis, Rocaltrol, Topitriol, Cholecalciferol 

>  <Target> (170)
Others

>  <Form> (170)
Free Base

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

>  <CAS Number> (170)
32222-06-3

$$$$
Doxercalciferol.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (171)
349

>  <Formula> (171)
C28H44O2

>  <MolWeight> (171)
412.64776

>  <Item Name> (171)
Doxercalciferol (Hectorol)

>  <Catalog Number> (171)
S1467

>  <Synonyms> (171)
Hectorol

>  <Target> (171)
Others

>  <Form> (171)
Free Base

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

>  <CAS Number> (171)
54573-75-0

$$$$
Alfacalcidol.cdx
csChFnd80/08251616502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (172)
350

>  <Formula> (172)
C27H44O2

>  <MolWeight> (172)
400.63706

>  <Item Name> (172)
Alfacalcidol

>  <Catalog Number> (172)
S1468

>  <Synonyms> (172)
Alpha D3, Etalpha

>  <Target> (172)
Others

>  <Form> (172)
Free Base

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

>  <CAS Number> (172)
41294-56-8

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/08251616502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (173)
351

>  <Formula> (173)
C21H25ClFN3O4

>  <MolWeight> (173)
437.8923032

>  <Item Name> (173)
Moxifloxacin hydrochloride

>  <Catalog Number> (173)
S1465

>  <Synonyms> (173)
Avelox, Avalox

>  <Target> (173)
Topoisomerase

>  <Form> (173)
Hydrochloride

>  <URL> (173)
http://www.selleckchem.com/products/Moxifloxacin.html

>  <CAS Number> (173)
186826-86-8

$$$$
Cyclamic acid.cdx
csChFnd80/08251616502D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4221    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (174)
352

>  <Formula> (174)
C6H13NO3S

>  <MolWeight> (174)
179.23732

>  <Item Name> (174)
Cyclamic acid

>  <Catalog Number> (174)
S4015

>  <Synonyms> (174)
N/A

>  <Target> (174)
Others

>  <Form> (174)
Free Base

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

>  <CAS Number> (174)
100-88-9

$$$$
Iloperidone.cdx
csChFnd80/08251616502D

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.8900    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5231   10.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (175)
362

>  <Formula> (175)
C24H27FN2O4

>  <MolWeight> (175)
426.4805832

>  <Item Name> (175)
Iloperidone (Fanapt)

>  <Catalog Number> (175)
S1483

>  <Synonyms> (175)
Fanapta, Zomaril 

>  <Target> (175)
Others

>  <Form> (175)
Free Base

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

>  <CAS Number> (175)
133454-47-4

$$$$
Naratriptan Hydrochloride.cdx
csChFnd80/08251616502D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0496    3.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (176)
367

>  <Formula> (176)
C17H26ClN3O2S

>  <MolWeight> (176)
371.92524

>  <Item Name> (176)
Naratriptan HCl

>  <Catalog Number> (176)
S1488 

>  <Synonyms> (176)
Amerge, Naramig

>  <Target> (176)
5-HT Receptor

>  <Form> (176)
Free Base

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

>  <CAS Number> (176)
143388-64-1

$$$$
AP24534.cdx
csChFnd80/08251616502D

 39 43  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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 27 22  1  0  0  0  0
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M  END
>  <Mol_ID> (177)
369

>  <Formula> (177)
C29H27F3N6O

>  <MolWeight> (177)
532.5594896

>  <Item Name> (177)
Ponatinib (AP24534)

>  <Catalog Number> (177)
S1490

>  <Synonyms> (177)
N/A 

>  <Target> (177)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (177)
Free Base

>  <URL> (177)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (177)
943319-70-8

$$$$
Fludarabine.cdx
csChFnd80/08251616502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 14  8  1  0  0  0  0
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 17 19  1  0  0  0  0
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M  END
>  <Mol_ID> (178)
370

>  <Formula> (178)
C10H12FN5O4

>  <MolWeight> (178)
285.2317832

>  <Item Name> (178)
Fludarabine (Fludara)

>  <Catalog Number> (178)
S1491

>  <Synonyms> (178)
F-ara-A, NSC 118218 

>  <Target> (178)
STAT, DNA/RNA Synthesis

>  <Form> (178)
Free Base

>  <URL> (178)
http://www.selleckchem.com/products/Fludarabine(Fludara).html

>  <CAS Number> (178)
21679-14-1

$$$$
CELESTONE (betamethasone).cdx
csChFnd80/08251616502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (179)
374

>  <Formula> (179)
C22H29FO5

>  <MolWeight> (179)
392.4610632

>  <Item Name> (179)
Betamethasone (Celestone)

>  <Catalog Number> (179)
S1500

>  <Synonyms> (179)
Celestone, Betadexamethasone, Flubenisolone, Sch-4831, NCS-39470 

>  <Target> (179)
Others

>  <Form> (179)
Free Base

>  <URL> (179)
http://www.selleckchem.com/products/Betamethasone-(Celestone).html

>  <CAS Number> (179)
378-44-9

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/08251616502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   13.0453    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8370    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  1  7  1  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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 10 16  1  0  0  0  0
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 20 21  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (180)
375

>  <Formula> (180)
C23H31NO7

>  <MolWeight> (180)
433.49474

>  <Item Name> (180)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (180)
S1501

>  <Synonyms> (180)
CellCept, RS 61443, TM-MMF

>  <Target> (180)
Others

>  <Form> (180)
Free Base

>  <URL> (180)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (180)
128794-94-5

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/08251616502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    7.7622    3.9320    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  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
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (181)
376

>  <Formula> (181)
C10H14N4O4

>  <MolWeight> (181)
254.24256

>  <Item Name> (181)
Dyphylline (Dilor)

>  <Catalog Number> (181)
S1504

>  <Synonyms> (181)
Neothylline, Lufyllin, diprophylline

>  <Target> (181)
PDE

>  <Form> (181)
Free Base

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

>  <CAS Number> (181)
479-18-5

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/08251616502D

 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
    6.5792    1.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5927    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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  8 10  2  0  0  0  0
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 12 13  1  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
 14 17  1  0  0  0  0
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 18 19  1  0  0  0  0
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 27 17  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (182)
377

>  <Formula> (182)
C13H17N5O8S2

>  <MolWeight> (182)
435.43278

>  <Item Name> (182)
Aztreonam (Azactam, Cayston)

>  <Catalog Number> (182)
S1505

>  <Synonyms> (182)
Monobactam, SQ 26776, Squibb 26776 

>  <Target> (182)
Others

>  <Form> (182)
Free Base

>  <URL> (182)
http://www.selleckchem.com/products/Aztreonam(Azactam).html

>  <CAS Number> (182)
78110-38-0

$$$$
CIALIS (tadalafil).cdx
csChFnd80/08251616502D

 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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    6.0622    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1026    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13  9  1  0  0  0  0
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  5 21  1  6  0  0  0
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 30 26  1  0  0  0  0
M  END
>  <Mol_ID> (183)
381

>  <Formula> (183)
C22H19N3O4

>  <MolWeight> (183)
389.40396

>  <Item Name> (183)
Tadalafil (Cialis)

>  <Catalog Number> (183)
S1512

>  <Synonyms> (183)
IC 351

>  <Target> (183)
PDE

>  <Form> (183)
Free Base

>  <URL> (183)
http://www.selleckchem.com/products/Tadalafil(Cialis).html

>  <CAS Number> (183)
171596-29-5

$$$$
NEORAL (cyclosporine).cdx
csChFnd80/08251616502D

 85 85  0  0  0  0  0  0  0  0999 V2000
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   16.3388    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2724    7.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2899   14.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9314   14.8204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (184)
382

>  <Formula> (184)
C62H111N11O12

>  <MolWeight> (184)
1202.61124

>  <Item Name> (184)
Cyclosporine (Neoral)

>  <Catalog Number> (184)
S1514

>  <Synonyms> (184)
Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

>  <Target> (184)
Others

>  <Form> (184)
Free Base

>  <URL> (184)
http://www.selleckchem.com/products/Cyclosporine.html

>  <CAS Number> (184)
79217-60-0

$$$$
s4075.cdx
csChFnd80/08251616502D

 17 20  0  0  0  0  0  0  0  0999 V2000
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    4.5793    1.4000    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
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    7.9461    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
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  9  5  1  0  0  0  0
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M  END
>  <Mol_ID> (185)
393

>  <Formula> (185)
C10H8N2O2S2Zn

>  <MolWeight> (185)
317.70272

>  <Item Name> (185)
Zinc Pyrithione

>  <Catalog Number> (185)
S4075

>  <Synonyms> (185)
N/A

>  <Target> (185)
Proton Pump

>  <Form> (185)
Free Base

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

>  <CAS Number> (185)
13463-41-7

$$$$
Milnacipran hydrochloride.cdx
csChFnd80/08251616502D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (186)
398

>  <Formula> (186)
C15H23ClN2O

>  <MolWeight> (186)
282.80892

>  <Item Name> (186)
Milnacipran HCl

>  <Catalog Number> (186)
S3140

>  <Synonyms> (186)
N/A

>  <Target> (186)
Others

>  <Form> (186)
HCl

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

>  <CAS Number> (186)
101152-94-7

$$$$
Darifenacin hydrobromide.cdx
csChFnd80/08251616502D

 33 36  0  0  0  0  0  0  0  0999 V2000
   11.6251    3.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6903    2.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9339    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0474    3.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037    4.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4627    1.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2320    2.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3573    4.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3814    4.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2029    3.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9592    3.9408    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
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  5  6  2  0  0  0  0
  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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  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 15 17  1  6  0  0  0
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 18 31  2  0  0  0  0
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 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (187)
399

>  <Formula> (187)
C28H31BrN2O2

>  <MolWeight> (187)
507.46194

>  <Item Name> (187)
Darifenacin HBr

>  <Catalog Number> (187)
S3144

>  <Synonyms> (187)
N/A 

>  <Target> (187)
AChR

>  <Form> (187)
HBr

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

>  <CAS Number> (187)
133099-07-7

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/08251616502D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.8000    4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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C16H22ClN3

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Tripelennamine HCl

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S3146

>  <Synonyms> (188)
N/A 

>  <Target> (188)
Histamine Receptor

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HCl

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

>  <CAS Number> (188)
154-69-8

$$$$
2-Thiouracil.cdx
csChFnd80/08251616502D

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401

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C4H4N2OS

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2-Thiouracil

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S3100

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N/A 

>  <Target> (189)
Others

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Free Base

>  <URL> (189)
http://www.selleckchem.com/products/2-thiouracil.html

>  <CAS Number> (189)
141-90-2

$$$$
Febuxostat.cdx
csChFnd80/08251616502D

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406

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C16H16N2O3S

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Adenuric

>  <Target> (190)
Others

>  <Form> (190)
Free Base

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

>  <CAS Number> (190)
144060-53-7

$$$$
Pimobendan.cdx
csChFnd80/08251616502D

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408

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C19H18N4O2

>  <MolWeight> (191)
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>  <Item Name> (191)
Pimobendan (Vetmedin)

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>  <Synonyms> (191)
Acardi, pimobendane

>  <Target> (191)
PDE

>  <Form> (191)
Free Base

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

>  <CAS Number> (191)
74150-27-9

$$$$
ABELCET (amphotericin b).cdx
csChFnd80/08251616502D

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 60 55  1  0  0  0  0
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 55 67  1  1  0  0  0
M  END
>  <Mol_ID> (192)
409

>  <Formula> (192)
C47H73NO17

>  <MolWeight> (192)
924.07902

>  <Item Name> (192)
Amphotericin B

>  <Catalog Number> (192)
S1636

>  <Synonyms> (192)
N/A

>  <Target> (192)
Others

>  <Form> (192)
Free Base

>  <URL> (192)
http://www.selleckchem.com/products/Amphotericin-B(Abelcet).

>  <CAS Number> (192)
1397-89-3

$$$$
Azelastine hydrochloride.cdx
csChFnd80/08251616502D

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  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (193)
410

>  <Formula> (193)
C22H25Cl2N3O

>  <MolWeight> (193)
418.3594

>  <Item Name> (193)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (193)
S2552 

>  <Synonyms> (193)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (193)
Histamine Receptor

>  <Form> (193)
Hydrochloride

>  <URL> (193)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (193)
79307-93-0

$$$$
Clarithromycin.cdx
csChFnd80/08251616502D

 52 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (194)
411

>  <Formula> (194)
C38H69NO13

>  <MolWeight> (194)
747.95336

>  <Item Name> (194)
Clarithromycin (Biaxin, Klacid)

>  <Catalog Number> (194)
S2555

>  <Synonyms> (194)
Crixan, Klaricid, Klabax, Claripen, Clarem, Claridar, Fromilid, Clacid, Clacee, Vikrol, Infex, Clari 

>  <Target> (194)
P450

>  <Form> (194)
Free Base

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

>  <CAS Number> (194)
81103-11-9

$$$$
Ampicillin sodium.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (195)
417

>  <Formula> (195)
C16H18N3NaO4S

>  <MolWeight> (195)
371.38659

>  <Item Name> (195)
Ampicillin sodium

>  <Catalog Number> (195)
S3170

>  <Synonyms> (195)
N/A 

>  <Target> (195)
Others

>  <Form> (195)
Sodium

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

>  <CAS Number> (195)
69-52-3

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/08251616502D

 20 22  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
  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
  9  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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 18 13  1  0  0  0  0
 14 19  2  0  0  0  0
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M  END
>  <Mol_ID> (196)
422

>  <Formula> (196)
C13H11N3O4

>  <MolWeight> (196)
273.24414

>  <Item Name> (196)
Pomalidomide

>  <Catalog Number> (196)
S1567

>  <Synonyms> (196)
CC-4047

>  <Target> (196)
TNF-alpha, COX

>  <Form> (196)
Free Base

>  <URL> (196)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

>  <CAS Number> (196)
19171-19-8

$$$$
AVAGE (tazarotene).cdx
csChFnd80/08251616502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.8808    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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 10  5  1  0  0  0  0
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 17 21  1  0  0  0  0
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M  END
>  <Mol_ID> (197)
424

>  <Formula> (197)
C21H21NO2S

>  <MolWeight> (197)
351.46194

>  <Item Name> (197)
Tazarotene (Avage)

>  <Catalog Number> (197)
S1569

>  <Synonyms> (197)
Tazorac, Avage, Zora

>  <Target> (197)
Others

>  <Form> (197)
Free Base

>  <URL> (197)
http://www.selleckchem.com/products/Tazarotene(Avage).html

>  <CAS Number> (197)
118292-40-3

$$$$
Candesartan.cdx
csChFnd80/08251616502D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.4384    4.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    3.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6509    2.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8633    3.2829    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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  4  7  1  0  0  0  0
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 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 19 15  2  0  0  0  0
 14 20  1  0  0  0  0
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 23 14  1  0  0  0  0
 20 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 21  1  0  0  0  0
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M  END
>  <Mol_ID> (198)
432

>  <Formula> (198)
C24H20N6O3

>  <MolWeight> (198)
440.454

>  <Item Name> (198)
Candesartan (Atacand)

>  <Catalog Number> (198)
S1578

>  <Synonyms> (198)
Atacand, Blopress, Amias, Ratacand

>  <Target> (198)
RAAS

>  <Form> (198)
Free Base

>  <URL> (198)
http://www.selleckchem.com/products/Candesartan(Atacand).html

>  <CAS Number> (198)
139481-59-7

$$$$
Altrenogest.cdx
csChFnd80/08251616502D

 25 28  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 14  2  0  0  0  0
 14 10  1  0  0  0  0
 11 15  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
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 20 21  2  0  0  0  0
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 17 25  1  1  0  0  0
M  END
>  <Mol_ID> (199)
433

>  <Formula> (199)
C21H26O2

>  <MolWeight> (199)
310.42994

>  <Item Name> (199)
Altrenogest

>  <Catalog Number> (199)
S3167

>  <Synonyms> (199)
N/A 

>  <Target> (199)
Estrogen/progestogen Receptor

>  <Form> (199)
Free Base

>  <URL> (199)
http://www.selleckchem.com/products/altrenogest.html

>  <CAS Number> (199)
850-52-2

$$$$
Apixaban.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (200)
437

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C25H25N5O4

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Apixaban

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S1593

>  <Synonyms> (200)
N/A

>  <Target> (200)
Factor Xa 

>  <Form> (200)
Free Base

>  <URL> (200)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

>  <CAS Number> (200)
503612-47-3

$$$$
Reserpine.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (201)
440

>  <Formula> (201)
C33H40N2O9

>  <MolWeight> (201)
608.6787

>  <Item Name> (201)
Reserpine

>  <Catalog Number> (201)
S1601

>  <Synonyms> (201)
N/A

>  <Target> (201)
Others

>  <Form> (201)
Free Base

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

>  <CAS Number> (201)
50-55-5

$$$$
Furosemide.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (202)
442

>  <Formula> (202)
C12H11ClN2O5S

>  <MolWeight> (202)
330.74414

>  <Item Name> (202)
Furosemide (Lasix)

>  <Catalog Number> (202)
S1603

>  <Synonyms> (202)
Lasix, Frusemide

>  <Target> (202)
Others

>  <Form> (202)
Free Base

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

>  <CAS Number> (202)
54-31-9

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (203)
443

>  <Formula> (203)
C14H13N5O5S2

>  <MolWeight> (203)
395.41352

>  <Item Name> (203)
Cefdinir (Omnicef)

>  <Catalog Number> (203)
S1605

>  <Synonyms> (203)
FK-482, BMY-28488, PD 134393, CI-983 

>  <Target> (203)
Others

>  <Form> (203)
Free Base

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

>  <CAS Number> (203)
91832-40-5

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (204)
444

>  <Formula> (204)
C22H17ClN2

>  <MolWeight> (204)
344.83678

>  <Item Name> (204)
Clotrimazole (Canesten)

>  <Catalog Number> (204)
S1606

>  <Synonyms> (204)
Lotrimin, Mycelex, Canesten

>  <Target> (204)
Others

>  <Form> (204)
Free Base

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

>  <CAS Number> (204)
23593-75-1

$$$$
MAXALT (rizatriptan benzoate).cdx
csChFnd80/08251616502D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.2471    4.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    3.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6471    4.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5839    5.8061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3315    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0801    3.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1169    2.4084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8269    1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9930    5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9930    4.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    3.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4179    4.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4179    5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    6.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    2.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 15 11  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
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 24 25  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (205)
445

>  <Formula> (205)
C22H25N5O2

>  <MolWeight> (205)
391.4662

>  <Item Name> (205)
Rizatriptan Benzoate (Maxalt)

>  <Catalog Number> (205)
S1607

>  <Synonyms> (205)
MK-462, Maxalt

>  <Target> (205)
NULL

>  <Form> (205)
Benzoate

>  <URL> (205)
http://www.selleckchem.com/products/Rizatriptan-Benzoate(Maxalt).html

>  <CAS Number> (205)
145202-66-0

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/08251616502D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.0664    4.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.7463    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4955    4.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    1.2124    5.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  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> (206)
446

>  <Formula> (206)
C9H13BrN2O2

>  <MolWeight> (206)
261.11572

>  <Item Name> (206)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (206)
S1608

>  <Synonyms> (206)
Mestinon, Regonol

>  <Target> (206)
Others

>  <Form> (206)
Bromide

>  <URL> (206)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (206)
101-26-8

$$$$
METHIMAZOLE (methimazole).cdx
csChFnd80/08251616502D

  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> (207)
447

>  <Formula> (207)
C4H6N2S

>  <MolWeight> (207)
114.16884

>  <Item Name> (207)
Methimazole (Tapazole, Northyx)

>  <Catalog Number> (207)
S1609

>  <Synonyms> (207)
Basolan, Metazolo, Thiamazole

>  <Target> (207)
Others

>  <Form> (207)
Free Base

>  <URL> (207)
http://www.selleckchem.com/products/Methimazole(Tapazole).html

>  <CAS Number> (207)
60-56-0

$$$$
METOLAZONE (metolazone).cdx
csChFnd80/08251616502D

 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
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    6.0580    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (208)
448

>  <Formula> (208)
C16H16ClN3O3S

>  <MolWeight> (208)
365.83454

>  <Item Name> (208)
Metolazone (Zaroxolyn)

>  <Catalog Number> (208)
S1610

>  <Synonyms> (208)
Mykrox, Zaroxolyn, Diulo

>  <Target> (208)
Others

>  <Form> (208)
Free Base

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

>  <CAS Number> (208)
17560-51-9

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/08251616502D

 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
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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
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    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
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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
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 10  5  2  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
  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
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 29 19  1  0  0  0  0
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 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> (209)
449

>  <Formula> (209)
C29H35NO2

>  <MolWeight> (209)
429.5937

>  <Item Name> (209)
Mifepristone (Mifeprex)

>  <Catalog Number> (209)
S2606

>  <Synonyms> (209)
RU-486, Mifegyne 

>  <Target> (209)
Estrogen/progestogen Receptor

>  <Form> (209)
Free Base

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

>  <CAS Number> (209)
84371-65-3

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/08251616502D

 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
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>  <Mol_ID> (210)
450

>  <Formula> (210)
C8H5F3N2OS

>  <MolWeight> (210)
234.1983096

>  <Item Name> (210)
Riluzole (Rilutek)

>  <Catalog Number> (210)
S1614

>  <Synonyms> (210)
PK-26124, RP-54274, Rilutek

>  <Target> (210)
Sodium Channel

>  <Form> (210)
Free Base

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

>  <CAS Number> (210)
1744-22-5

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/08251616502D

 30 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (211)
451

>  <Formula> (211)
C23H27FN4O2

>  <MolWeight> (211)
410.4844832

>  <Item Name> (211)
Risperidone (Risperdal)

>  <Catalog Number> (211)
S1615

>  <Synonyms> (211)
R 64 766, Risperdal

>  <Target> (211)
5-HT Receptor

>  <Form> (211)
Free Base

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

>  <CAS Number> (211)
106266-06-2

$$$$
Artemether.cdx
csChFnd80/08251616502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (212)
452

>  <Formula> (212)
C16H26O5

>  <MolWeight> (212)
298.37464

>  <Item Name> (212)
Artemether

>  <Catalog Number> (212)
S2264

>  <Synonyms> (212)
SM-224, CGP 56696

>  <Target> (212)
Others

>  <Form> (212)
Free Base

>  <URL> (212)
http://www.selleckchem.com/products/Artemether(SM-224).html

>  <CAS Number> (212)
71963-77-4

$$$$
SULLA (sulfameter).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (213)
453

>  <Formula> (213)
C11H12N4O3S

>  <MolWeight> (213)
280.30298

>  <Item Name> (213)
Sulfameter (Bayrena)

>  <Catalog Number> (213)
S1618

>  <Synonyms> (213)
Sulfamethoxydiazine, Sulfametin, Sulfametorine, Sulfamethoxine, AHR-857, Berlicid 

>  <Target> (213)
Others

>  <Form> (213)
Free Base

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

>  <CAS Number> (213)
651-06-9

$$$$
Prilocaine.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (214)
454

>  <Formula> (214)
C13H20N2O

>  <MolWeight> (214)
220.3107

>  <Item Name> (214)
Prilocaine

>  <Catalog Number> (214)
S1619

>  <Synonyms> (214)
N/A

>  <Target> (214)
Others

>  <Form> (214)
Free Base

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

>  <CAS Number> (214)
721-50-6

$$$$
FERNISONE (prednisone).cdx
csChFnd80/08251616502D

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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  2  0  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 12 24  1  1  0  0  0
 17 25  1  1  0  0  0
 17 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (215)
455

>  <Formula> (215)
C21H26O5

>  <MolWeight> (215)
358.42814

>  <Item Name> (215)
Prednisone (Adasone)

>  <Catalog Number> (215)
S1622

>  <Synonyms> (215)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (215)
Others

>  <Form> (215)
Free Base

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

>  <CAS Number> (215)
53-03-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/08251616502D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    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
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (216)
456

>  <Formula> (216)
C5H9NO3S

>  <MolWeight> (216)
163.19486

>  <Item Name> (216)
Acetylcysteine

>  <Catalog Number> (216)
S1623

>  <Synonyms> (216)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (216)
AChR

>  <Form> (216)
Free Base

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

>  <CAS Number> (216)
616-91-1

$$$$
ALESSE (ethinyl estradiol).cdx
csChFnd80/08251616502D

 25 28  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
    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
    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
  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
  9 19  1  1  0  0  0
 12 20  1  1  0  0  0
 17 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
 24 25  3  0  0  0  0
M  END
>  <Mol_ID> (217)
458

>  <Formula> (217)
C20H24O2

>  <MolWeight> (217)
296.40336

>  <Item Name> (217)
Ethinyl Estradiol

>  <Catalog Number> (217)
S1625

>  <Synonyms> (217)
Ethynylestradiol

>  <Target> (217)
Others

>  <Form> (217)
Free Base

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

>  <CAS Number> (217)
57-63-6

$$$$
Naproxen sodium.cdx
csChFnd80/08251616502D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0976    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  1  6  0  0  0
M  END
>  <Mol_ID> (218)
459

>  <Formula> (218)
C14H13NaO3

>  <MolWeight> (218)
252.24099

>  <Item Name> (218)
Naproxen Sodium

>  <Catalog Number> (218)
S1626

>  <Synonyms> (218)
Anaprox, Naprelan 

>  <Target> (218)
COX

>  <Form> (218)
Sodium

>  <URL> (218)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (218)
26159-34-2

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/08251616502D

 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
  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
  8 10  2  0  0  0  0
  5 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  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> (219)
460

>  <Formula> (219)
C12H9N3O5S

>  <MolWeight> (219)
307.28196

>  <Item Name> (219)
Nitazoxanide (Alinia, Annita)

>  <Catalog Number> (219)
S1627

>  <Synonyms> (219)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (219)
Others

>  <Form> (219)
Free Base

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

>  <CAS Number> (219)
55981-09-4

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/08251616502D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 26  1  6  0  0  0
 17 28  1  6  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (220)
461

>  <Formula> (220)
C24H31FO6

>  <MolWeight> (220)
434.4977432

>  <Item Name> (220)
Triamcinolone Acetonide

>  <Catalog Number> (220)
S1628

>  <Synonyms> (220)
Azmacort

>  <Target> (220)
Others

>  <Form> (220)
Free Base

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

>  <CAS Number> (220)
76-25-5 

$$$$
ALLI (orlistat).cdx
csChFnd80/08251616502D

 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
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   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
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   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
  4  1  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  1  0  0  0
  2  7  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
  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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 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
 25 26  1  0  0  0  0
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 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
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 33 34  1  0  0  0  0
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M  END
>  <Mol_ID> (221)
462

>  <Formula> (221)
C29H53NO5

>  <MolWeight> (221)
495.73482

>  <Item Name> (221)
Orlistat (Alli, Xenical)

>  <Catalog Number> (221)
S1629

>  <Synonyms> (221)
Tetrahydrolipstatin

>  <Target> (221)
Others

>  <Form> (221)
Free Base

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

>  <CAS Number> (221)
96829-58-2

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/08251616502D

 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
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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 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
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  9  5  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (222)
463

>  <Formula> (222)
C5H4N4O

>  <MolWeight> (222)
136.11146

>  <Item Name> (222)
Allopurinol (Zyloprim)

>  <Catalog Number> (222)
S1630

>  <Synonyms> (222)
Aloprim

>  <Target> (222)
Others

>  <Form> (222)
Free Base

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

>  <CAS Number> (222)
315-30-0

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/08251616502D

 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
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    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
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    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
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   11.1352    4.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 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
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M  END
>  <Mol_ID> (223)
465

>  <Formula> (223)
C31H33N3O6S

>  <MolWeight> (223)
575.67522

>  <Item Name> (223)
Zafirlukast (Accolate)

>  <Catalog Number> (223)
S1633

>  <Synonyms> (223)
Accolate, Accoleit, Vanticon

>  <Target> (223)
Others

>  <Form> (223)
Free Base

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

>  <CAS Number> (223)
107753-78-6

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/08251616502D

 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
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 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (224)
468

>  <Formula> (224)
C13H18O2

>  <MolWeight> (224)
206.28082

>  <Item Name> (224)
Ibuprofen (Advil)

>  <Catalog Number> (224)
S1638

>  <Synonyms> (224)
Brufen, Nurofen, Motrin 

>  <Target> (224)
COX

>  <Form> (224)
Free Base

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

>  <CAS Number> (224)
15687-27-1

$$$$
ALBENZA (albendazole).cdx
csChFnd80/08251616502D

 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
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   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
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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
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M  END
>  <Mol_ID> (225)
469

>  <Formula> (225)
C12H15N3O2S

>  <MolWeight> (225)
265.3314

>  <Item Name> (225)
Albendazole (Albenza)

>  <Catalog Number> (225)
S1640

>  <Synonyms> (225)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (225)
Others

>  <Form> (225)
Free Base

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

>  <CAS Number> (225)
54965-21-8

$$$$
ALDOCLOR-250 (chlorothiazide).cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (226)
470

>  <Formula> (226)
C7H6ClN3O4S2

>  <MolWeight> (226)
295.72324

>  <Item Name> (226)
Chlorothiazide

>  <Catalog Number> (226)
S1641

>  <Synonyms> (226)
Diuril, Chlotride

>  <Target> (226)
Others

>  <Form> (226)
Free Base

>  <URL> (226)
http://www.selleckchem.com/products/Chlorothiazide(Diuril).html

>  <CAS Number> (226)
58-94-6

$$$$
ACTIGALL (ursodiol).cdx
csChFnd80/08251616502D

 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
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  2 24  1  6  0  0  0
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M  END
>  <Mol_ID> (227)
472

>  <Formula> (227)
C24H40O4

>  <MolWeight> (227)
392.572

>  <Item Name> (227)
Ursodiol (Actigal Urso)

>  <Catalog Number> (227)
S1643

>  <Synonyms> (227)
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv 

>  <Target> (227)
Others

>  <Form> (227)
Free Base

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

>  <CAS Number> (227)
128-13-2

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/08251616502D

 14 14  0  0  0  0  0  0  0  0999 V2000
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    1.0880    3.2282    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0173    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    1.9799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    2.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3495    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7018    1.7146    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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  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
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  8  9  1  0  0  0  0
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  6 14  2  0  0  0  0
M  END
>  <Mol_ID> (228)
473

>  <Formula> (228)
C6H6N4O4

>  <MolWeight> (228)
198.13624

>  <Item Name> (228)
Nitrofurazone (Nitrofural)

>  <Catalog Number> (228)
S1644

>  <Synonyms> (228)
Nitrofural, Furacilin, ACTIN-N, Otofuran 

>  <Target> (228)
Others

>  <Form> (228)
Free Base

>  <URL> (228)
http://www.selleckchem.com/products/Nitrofurazone(ACTIN-N).html

>  <CAS Number> (228)
59-87-0

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/08251616502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (229)
474

>  <Formula> (229)
C16H14O3

>  <MolWeight> (229)
254.28056

>  <Item Name> (229)
Ketoprofen (Actron)

>  <Catalog Number> (229)
S1645

>  <Synonyms> (229)
Orudis, Oruvail 

>  <Target> (229)
COX

>  <Form> (229)
Free Base

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

>  <CAS Number> (229)
22071-15-4

$$$$
Adenosine.cdx
csChFnd80/08251616502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 14  7  1  0  0  0  0
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M  END
>  <Mol_ID> (230)
475

>  <Formula> (230)
C10H13N5O4

>  <MolWeight> (230)
267.24132

>  <Item Name> (230)
Adenosine (Adenocard)

>  <Catalog Number> (230)
S1647

>  <Synonyms> (230)
Adenocard

>  <Target> (230)
Others

>  <Form> (230)
Free Base

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

>  <CAS Number> (230)
58-61-7

$$$$
Artemisinin.cdx
csChFnd80/08251616502D

 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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    6.8153    5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (231)
476

>  <Formula> (231)
C15H22O5

>  <MolWeight> (231)
282.33218

>  <Item Name> (231)
Artemisinin

>  <Catalog Number> (231)
S1282

>  <Synonyms> (231)
Qinghaosu

>  <Target> (231)
Others

>  <Form> (231)
Free Base

>  <URL> (231)
http://www.selleckchem.com/products/Artemisinin.html

>  <CAS Number> (231)
63968-64-9

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/08251616502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2321    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7760    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7760    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2072    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5718    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0029    5.4764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3676    5.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0694    6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3243    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7749    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  2  0  0  0  0
  9  6  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
  2 15  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 16  1  0  0  0  0
 18 21  2  0  0  0  0
 16 15  1  1  0  0  0
M  END
>  <Mol_ID> (232)
480

>  <Formula> (232)
C16H21N3O2

>  <MolWeight> (232)
287.35684

>  <Item Name> (232)
Zolmitriptan (Zomig)

>  <Catalog Number> (232)
S1649

>  <Synonyms> (232)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (232)
Others

>  <Form> (232)
Free Base

>  <URL> (232)
http://www.selleckchem.com/products/Zolmitriptan(Zomig).html

>  <CAS Number> (232)
139264-17-8

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.3376    4.3937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    2.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    4.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    5.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    2.3180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9015    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2996    1.0842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6619    2.4365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4878    3.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9644    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1776    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0486    2.0585    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
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 10  5  1  1  0  0  0
 13 15  1  1  0  0  0
 12 16  1  6  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (233)
481

>  <Formula> (233)
C10H14N2O5

>  <MolWeight> (233)
242.22856

>  <Item Name> (233)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (233)
S1651

>  <Synonyms> (233)
N/A

>  <Target> (233)
Others

>  <Form> (233)
Free Base

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

>  <CAS Number> (233)
3424-98-4

$$$$
BENOQUIN (monobenzone).cdx
csChFnd80/08251616502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    6.0496    4.1976    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
    7.2620    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
    4.8413    2.1000    0.0000 O   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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  5 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <Mol_ID> (234)
482

>  <Formula> (234)
C13H12O2

>  <MolWeight> (234)
200.23318

>  <Item Name> (234)
Monobenzone (Benoquin)

>  <Catalog Number> (234)
S1652

>  <Synonyms> (234)
Benoquin

>  <Target> (234)
Others

>  <Form> (234)
Free Base

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

>  <CAS Number> (234)
103-16-2

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/08251616502D

 22 22  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
    0.5142    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    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
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    2.1049    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
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    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  2  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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 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  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (235)
483

>  <Formula> (235)
C20H28O2

>  <MolWeight> (235)
300.43512

>  <Item Name> (235)
All-trans Retinoic Acid (Tretinoin)

>  <Catalog Number> (235)
S1653

>  <Synonyms> (235)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (235)
Others

>  <Form> (235)
Free Base

>  <URL> (235)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

>  <CAS Number> (235)
302-79-4

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/08251616502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.5403    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    3.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6947    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    6.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    6.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5579    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3029    6.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1825    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8801    1.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
  7 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  7  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  2  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (236)
484

>  <Formula> (236)
C19H20N2O2

>  <MolWeight> (236)
308.3743

>  <Item Name> (236)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (236)
S1654

>  <Synonyms> (236)
Bute, Butazolidin, Butatron 

>  <Target> (236)
Others

>  <Form> (236)
Free Base

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

>  <CAS Number> (236)
50-33-9

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/08251616502D

 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
    3.6331    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2578    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.2000    0.0000 C   0  0  1  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
    9.8702    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4837    1.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    6.3000    0.0000 C   0  0  0  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
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 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (237)
485

>  <Formula> (237)
C24H21F2NO3

>  <MolWeight> (237)
409.4252464

>  <Item Name> (237)
Ezetimibe (Zetia)

>  <Catalog Number> (237)
S1655

>  <Synonyms> (237)
Zetia, Ezetrol

>  <Target> (237)
Others

>  <Form> (237)
Free Base

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

>  <CAS Number> (237)
163222-33-1

$$$$
TIKOSYN (dofetilide).cdx
csChFnd80/08251616502D

 29 30  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 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> (238)
486

>  <Formula> (238)
C19H27N3O5S2

>  <MolWeight> (238)
441.56478

>  <Item Name> (238)
Dofetilide (Tikosyn)

>  <Catalog Number> (238)
S1658

>  <Synonyms> (238)
Tikosyn, UK68798

>  <Target> (238)
Others

>  <Form> (238)
Free Base

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

>  <CAS Number> (238)
115256-11-6

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/08251616502D

 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
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    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
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M  END
>  <Mol_ID> (239)
487

>  <Formula> (239)
C19H21N3O5

>  <MolWeight> (239)
371.38714

>  <Item Name> (239)
Isradipine (Dynacirc)

>  <Catalog Number> (239)
S1662

>  <Synonyms> (239)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (239)
Others

>  <Form> (239)
Free Base

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

>  <CAS Number> (239)
75695-93-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/08251616502D

 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
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 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
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 17 12  1  0  0  0  0
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 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> (240)
488

>  <Formula> (240)
C18H22O2

>  <MolWeight> (240)
270.36608

>  <Item Name> (240)
Estrone

>  <Catalog Number> (240)
S1665

>  <Synonyms> (240)
Oestrone

>  <Target> (240)
Others

>  <Form> (240)
Free Base

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

>  <CAS Number> (240)
53-16-7 

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/08251616502D

  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
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    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
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    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
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  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> (241)
489

>  <Formula> (241)
C4H4FN3O

>  <MolWeight> (241)
129.0924632

>  <Item Name> (241)
Flucytosine (Ancobon)

>  <Catalog Number> (241)
S1666

>  <Synonyms> (241)
5-fluorocytosine, Ancotil

>  <Target> (241)
Others

>  <Form> (241)
Free Base

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

>  <CAS Number> (241)
2022-85-7

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/08251616502D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    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
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2782    5.8857    0.0000 Cl  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
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872    6.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5249    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8973    5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5114    8.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1503   10.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  2  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 14 27  1  1  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (242)
490

>  <Formula> (242)
C24H31ClO7

>  <MolWeight> (242)
466.95174

>  <Item Name> (242)
Loteprednol etabonate

>  <Catalog Number> (242)
S1669

>  <Synonyms> (242)
Alrex, Lotemax

>  <Target> (242)
Others

>  <Form> (242)
Free Base

>  <URL> (242)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

>  <CAS Number> (242)
82034-46-6

$$$$
AMINOCAPROIC ACID (aminocaproic acid).cdx
csChFnd80/08251616502D

  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> (243)
491

>  <Formula> (243)
C6H13NO2

>  <MolWeight> (243)
131.17292

>  <Item Name> (243)
£¨6-£©¦Å-Aminocaproic acid 

>  <Catalog Number> (243)
S1671

>  <Synonyms> (243)
Amicar, ¦Å-amino caproic acid, ¦Å-Ahx, 6-aminohexanoic acid

>  <Target> (243)
Others

>  <Form> (243)
Free Base

>  <URL> (243)
http://www.selleckchem.com/products/Aminocaproic-acid(Amicar).html

>  <CAS Number> (243)
60-32-2

$$$$
Pregnenolone.cdx
csChFnd80/08251616502D

 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> (244)
492

>  <Formula> (244)
C21H32O2

>  <MolWeight> (244)
316.47758

>  <Item Name> (244)
Pregnenolone

>  <Catalog Number> (244)
S1914

>  <Synonyms> (244)
N/A

>  <Target> (244)
Estrogen/progestogen Receptor

>  <Form> (244)
Free Base

>  <URL> (244)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (244)
145-13-1

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/08251616502D

 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> (245)
493

>  <Formula> (245)
C16H24N10O4

>  <MolWeight> (245)
420.42636

>  <Item Name> (245)
Aminophylline (Truphylline)

>  <Catalog Number> (245)
S1673

>  <Synonyms> (245)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (245)
PDE

>  <Form> (245)
Ethylenediamine

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

>  <CAS Number> (245)
317-34-0 

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/08251616502D

 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> (246)
494

>  <Formula> (246)
C21H36ClNO

>  <MolWeight> (246)
353.96964

>  <Item Name> (246)
Amorolfine Hydrochloride

>  <Catalog Number> (246)
S1676

>  <Synonyms> (246)
Amorolfin, Curanail, Loceryl, Locetar, Odenil 

>  <Target> (246)
Others

>  <Form> (246)
Hydrochloride

>  <URL> (246)
http://www.selleckchem.com/products/Amorolfine-Hydrochloride.html

>  <CAS Number> (246)
78613-38-4

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/08251616502D

 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
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  6  1  1  0  0  0  0
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  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
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 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> (247)
495

>  <Formula> (247)
C11H12Cl2N2O5

>  <MolWeight> (247)
323.12938

>  <Item Name> (247)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (247)
S1677

>  <Synonyms> (247)
Alficetyn, Chlornitromycin, Chloromycetin 

>  <Target> (247)
Others

>  <Form> (247)
Free Base

>  <URL> (247)
http://www.selleckchem.com/products/Chloramphenicol(Chloromycetin).html

>  <CAS Number> (247)
56-75-7

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/08251616502D

 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
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  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
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 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (248)
496

>  <Formula> (248)
C10H20N2S4

>  <MolWeight> (248)
296.5392

>  <Item Name> (248)
Disulfiram (Antabuse)

>  <Catalog Number> (248)
S1680

>  <Synonyms> (248)
Antabuse, Antabus

>  <Target> (248)
Others

>  <Form> (248)
Free Base

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

>  <CAS Number> (248)
97-77-8

$$$$
APRISO (mesalamine).cdx
csChFnd80/08251616502D

 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> (249)
497

>  <Formula> (249)
C7H7NO3

>  <MolWeight> (249)
153.13538

>  <Item Name> (249)
Mesalamine (Lialda)

>  <Catalog Number> (249)
S1681

>  <Synonyms> (249)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (249)
Others

>  <Form> (249)
Free Base

>  <URL> (249)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

>  <CAS Number> (249)
89-57-6

$$$$
ATROVENT HFA (ipratropium bromide).cdx
csChFnd80/08251616502D

 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> (250)
498

>  <Formula> (250)
C20H30BrNO3

>  <MolWeight> (250)
412.3611

>  <Item Name> (250)
Ipratropium bromide

>  <Catalog Number> (250)
S1683

>  <Synonyms> (250)
Atrovent, Apovent, Aerovent

>  <Target> (250)
Others

>  <Form> (250)
Bromide

>  <URL> (250)
http://www.selleckchem.com/products/Ipratropium-bromide.html

>  <CAS Number> (250)
22254-24-6

$$$$
BETAMETHASONE DIPROPIONATE (betamethasone dipropionate).cdx
csChFnd80/08251616502D

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5771    6.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5636    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9112    7.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    8.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    8.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  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
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 17 12  1  0  0  0  0
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  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  2  0  0  0  0
 17 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 10 37  1  6  0  0  0
 11 38  1  6  0  0  0
M  END
>  <Mol_ID> (251)
499

>  <Formula> (251)
C28H37FO7

>  <MolWeight> (251)
504.5875832

>  <Item Name> (251)
Betamethasone Dipropionate (Diprolene)

>  <Catalog Number> (251)
S1688

>  <Synonyms> (251)
Diprospan, Diprolene, Diprosone, Diprolene AF 

>  <Target> (251)
Others

>  <Form> (251)
Free Base

>  <URL> (251)
http://www.selleckchem.com/products/Betamethasone-Dipropionate(Diprolene).html

>  <CAS Number> (251)
5593-20-4

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/08251616502D

 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
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (252)
500

>  <Formula> (252)
C22H28O5

>  <MolWeight> (252)
372.45472

>  <Item Name> (252)
Betapar (Meprednisone)

>  <Catalog Number> (252)
S1689

>  <Synonyms> (252)
Betanisona

>  <Target> (252)
Others

>  <Form> (252)
Free Base

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

>  <CAS Number> (252)
1247-42-3

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/08251616502D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5771    6.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 10 33  1  6  0  0  0
 11 34  1  6  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (253)
501

>  <Formula> (253)
C27H37FO6

>  <MolWeight> (253)
476.5774832

>  <Item Name> (253)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (253)
S1690

>  <Synonyms> (253)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (253)
Others

>  <Form> (253)
Valerate

>  <URL> (253)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (253)
2152-44-5 

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/08251616502D

 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> (254)
502

>  <Formula> (254)
C19H24N2O2

>  <MolWeight> (254)
312.40606

>  <Item Name> (254)
Praziquantel (Biltricide)

>  <Catalog Number> (254)
S1691

>  <Synonyms> (254)
Droncit

>  <Target> (254)
Others

>  <Form> (254)
Free Base

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

>  <CAS Number> (254)
55268-74-1

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/08251616502D

 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> (255)
503

>  <Formula> (255)
C6H14O6S2

>  <MolWeight> (255)
246.30176

>  <Item Name> (255)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (255)
S1692

>  <Synonyms> (255)
Myleran, Busulfex

>  <Target> (255)
NULL

>  <Form> (255)
Free Base

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

>  <CAS Number> (255)
55-98-1

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/08251616502D

 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> (256)
504

>  <Formula> (256)
C9H11F2N3O4

>  <MolWeight> (256)
263.1981464

>  <Item Name> (256)
Gemcitabine (Gemzar)

>  <Catalog Number> (256)
S1714

>  <Synonyms> (256)
Gemzar

>  <Target> (256)
Others

>  <Form> (256)
Free Base

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

>  <CAS Number> (256)
95058-81-4 

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/08251616502D

 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> (257)
505

>  <Formula> (257)
C15H12N2O

>  <MolWeight> (257)
236.26858

>  <Item Name> (257)
Carbamazepine (Carbatrol)

>  <Catalog Number> (257)
S1693

>  <Synonyms> (257)
Equetro, Tegretol, Biston 

>  <Target> (257)
Others

>  <Form> (257)
Free Base

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

>  <CAS Number> (257)
298-46-4

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/08251616502D

 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> (258)
506

>  <Formula> (258)
C21H30O5

>  <MolWeight> (258)
362.4599

>  <Item Name> (258)
Hydrocortisone (Cortisol)

>  <Catalog Number> (258)
S1696

>  <Synonyms> (258)
Cortisol

>  <Target> (258)
Others

>  <Form> (258)
Free Base

>  <URL> (258)
http://www.selleckchem.com/products/Hydrocortisone.html

>  <CAS Number> (258)
50-23-7

$$$$
DESOWEN (desonide).cdx
csChFnd80/08251616502D

 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> (259)
508

>  <Formula> (259)
C24H32O6

>  <MolWeight> (259)
416.50728

>  <Item Name> (259)
Desonide

>  <Catalog Number> (259)
S1701

>  <Synonyms> (259)
Locapred, Topifug, Tridesilon

>  <Target> (259)
Others

>  <Form> (259)
Free Base

>  <URL> (259)
http://www.selleckchem.com/products/Desonide.html

>  <CAS Number> (259)
638-94-8

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/08251616502D

 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> (260)
509

>  <Formula> (260)
C10H12N4O3

>  <MolWeight> (260)
236.22728

>  <Item Name> (260)
Didanosine (Videx)

>  <Catalog Number> (260)
S1702

>  <Synonyms> (260)
Videx EC 

>  <Target> (260)
NULL

>  <Form> (260)
Free Base

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

>  <CAS Number> (260)
69655-05-6

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/08251616502D

 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> (261)
510

>  <Formula> (261)
C16H31NaO4

>  <MolWeight> (261)
310.40471

>  <Item Name> (261)
Divalproex sodium

>  <Catalog Number> (261)
S1703

>  <Synonyms> (261)
Depakote, Epival

>  <Target> (261)
Others

>  <Form> (261)
Sodium

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

>  <CAS Number> (261)
76584-70-8

$$$$
ENDOMETRIN (progesterone).cdx
csChFnd80/08251616502D

 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> (262)
511

>  <Formula> (262)
C21H30O2

>  <MolWeight> (262)
314.4617

>  <Item Name> (262)
Progesterone (Prometrium)

>  <Catalog Number> (262)
S1705

>  <Synonyms> (262)
Prometrium, Agolutin, Corlutin

>  <Target> (262)
Others

>  <Form> (262)
Free Base

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

>  <CAS Number> (262)
57-83-0

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/08251616502D

 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
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    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
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  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
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (263)
512

>  <Formula> (263)
C8H11N3O3S

>  <MolWeight> (263)
229.25624

>  <Item Name> (263)
Lamivudine (Epivir)

>  <Catalog Number> (263)
S1706

>  <Synonyms> (263)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (263)
Others

>  <Form> (263)
Free Base

>  <URL> (263)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (263)
134678-17-4

$$$$
ESIDRIX (hydrochlorothiazide).cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    2.4165    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
M  END
>  <Mol_ID> (264)
514

>  <Formula> (264)
C7H8ClN3O4S2

>  <MolWeight> (264)
297.73912

>  <Item Name> (264)
Hydrochlorothiazide

>  <Catalog Number> (264)
S1708

>  <Synonyms> (264)
Aquazide H,Carozide,Diaqua,Esidrix,Ezide,HydroPar,HydroDIURIL,Hydrocot,Hydrokraft,Loqua,Oretic

>  <Target> (264)
Others

>  <Form> (264)
Free Base

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

>  <CAS Number> (264)
58-93-5

$$$$
estradiol.cdx
csChFnd80/08251616502D

 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
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 10  5  1  0  0  0  0
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 10 19  1  6  0  0  0
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  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> (265)
515

>  <Formula> (265)
C18H24O2

>  <MolWeight> (265)
272.38196

>  <Item Name> (265)
Estradiol

>  <Catalog Number> (265)
S1709

>  <Synonyms> (265)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (265)
Others

>  <Form> (265)
Free Base

>  <URL> (265)
http://www.selleckchem.com/products/Estradiol.html

>  <CAS Number> (265)
50-28-2

$$$$
EXJADE (deferasirox).cdx
csChFnd80/08251616502D

 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
    4.2788    4.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9165    2.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0906    1.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4792    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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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 10 15  1  0  0  0  0
  8 16  1  0  0  0  0
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M  END
>  <Mol_ID> (266)
516

>  <Formula> (266)
C21H15N3O4

>  <MolWeight> (266)
373.3615

>  <Item Name> (266)
Deferasirox (Exjade)

>  <Catalog Number> (266)
S1712

>  <Synonyms> (266)
Exjade, ICL-670, ICL-670A, CGP-72670 

>  <Target> (266)
Others

>  <Form> (266)
Free Base

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

>  <CAS Number> (266)
201530-41-8

$$$$
FELDENE (piroxicam).cdx
csChFnd80/08251616502D

 23 25  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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  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
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  8  9  1  0  0  0  0
  8 10  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  2  0  0  0  0
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 15  9  2  0  0  0  0
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M  END
>  <Mol_ID> (267)
518

>  <Formula> (267)
C15H13N3O4S

>  <MolWeight> (267)
331.34642

>  <Item Name> (267)
Piroxicam (Feldene)

>  <Catalog Number> (267)
S1713

>  <Synonyms> (267)
Roxam

>  <Target> (267)
COX 

>  <Form> (267)
Free Base

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

>  <CAS Number> (267)
36322-90-4

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/08251616502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (268)
519

>  <Formula> (268)
C21H27N5O4S

>  <MolWeight> (268)
445.53518

>  <Item Name> (268)
Glipizide (Glucotrol)

>  <Catalog Number> (268)
S1715

>  <Synonyms> (268)
Glucotrol XL 

>  <Target> (268)
Others

>  <Form> (268)
Free Base

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

>  <CAS Number> (268)
29094-61-9

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (269)
520

>  <Formula> (269)
C23H28ClN3O5S

>  <MolWeight> (269)
494.00352

>  <Item Name> (269)
Glyburide (Glibenclamide)

>  <Catalog Number> (269)
S1716

>  <Synonyms> (269)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (269)
Others

>  <Form> (269)
Free Base

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

>  <CAS Number> (269)
10238-21-8 

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (270)
521

>  <Formula> (270)
C20H32N5O8P

>  <MolWeight> (270)
501.470541

>  <Item Name> (270)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (270)
S1718

>  <Synonyms> (270)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (270)
Others

>  <Form> (270)
Free Base

>  <URL> (270)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (270)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/08251616502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (271)
522

>  <Formula> (271)
C9H13N3O3

>  <MolWeight> (271)
211.21782

>  <Item Name> (271)
Zalcitabine

>  <Catalog Number> (271)
S1719

>  <Synonyms> (271)
Hivid, Dideoxycytidine 

>  <Target> (271)
Others

>  <Form> (271)
Free Base

>  <URL> (271)
http://www.selleckchem.com/products/Zalcitabine.html

>  <CAS Number> (271)
7481-89-2

$$$$
IMURAN (azathioprine).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (272)
523

>  <Formula> (272)
C9H7N7O2S

>  <MolWeight> (272)
277.26258

>  <Item Name> (272)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (272)
S1721

>  <Synonyms> (272)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (272)
Others

>  <Form> (272)
Free Base

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

>  <CAS Number> (272)
446-86-6

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/08251616502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 17 24  2  0  0  0  0
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M  END
>  <Mol_ID> (273)
524

>  <Formula> (273)
C19H16ClNO4

>  <MolWeight> (273)
357.78764

>  <Item Name> (273)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (273)
S1723

>  <Synonyms> (273)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (273)
Others

>  <Form> (273)
Free Base

>  <URL> (273)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (273)
53-86-1

$$$$
Levonorgestrel.cdx
csChFnd80/08251616502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   11.3065    5.3573    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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M  END
>  <Mol_ID> (274)
526

>  <Formula> (274)
C21H28O2

>  <MolWeight> (274)
312.44582

>  <Item Name> (274)
Levonorgestrel (Levonelle)

>  <Catalog Number> (274)
S1727

>  <Synonyms> (274)
Levonelle, D-Norgestrel, Levonova

>  <Target> (274)
Others

>  <Form> (274)
Free Base

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

>  <CAS Number> (274)
797-63-7

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/08251616502D

 18 18  0  0  0  0  0  0  0  0999 V2000
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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
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (275)
527

>  <Formula> (275)
C15H22O3

>  <MolWeight> (275)
250.33338

>  <Item Name> (275)
Gemfibrozil (Lopid)

>  <Catalog Number> (275)
S1729

>  <Synonyms> (275)
Gemcor, Lopid, Jezil, Gen-Fibro

>  <Target> (275)
Others

>  <Form> (275)
Free Base

>  <URL> (275)
http://www.selleckchem.com/products/Gemfibrozil(Lopid).html

>  <CAS Number> (275)
25812-30-0

$$$$
LOZOL (indapamide).cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (276)
528

>  <Formula> (276)
C16H16ClN3O3S

>  <MolWeight> (276)
365.83454

>  <Item Name> (276)
Indapamide (Lozol)

>  <Catalog Number> (276)
S1730

>  <Synonyms> (276)
Arifon, Fludex, Noranat, Veroxil, Tertensif

>  <Target> (276)
Others

>  <Form> (276)
Free Base

>  <URL> (276)
http://www.selleckchem.com/products/Indapamide(Lozol).html

>  <CAS Number> (276)
26807-65-8

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/08251616502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (277)
529

>  <Formula> (277)
C22H30O5

>  <MolWeight> (277)
374.4706

>  <Item Name> (277)
Methylprednisolone

>  <Catalog Number> (277)
S1733

>  <Synonyms> (277)
Medrol, Solu-Medrol, Medrone

>  <Target> (277)
Others

>  <Form> (277)
Free Base

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

>  <CAS Number> (277)
83-43-2

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/08251616502D

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    7.2279    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (278)
530

>  <Formula> (278)
C14H13N3O4S2

>  <MolWeight> (278)
351.40072

>  <Item Name> (278)
Meloxicam (Mobic)

>  <Catalog Number> (278)
S1734

>  <Synonyms> (278)
Metacam, Parocin 

>  <Target> (278)
Others

>  <Form> (278)
Free Base

>  <URL> (278)
http://www.selleckchem.com/products/Meloxicam(Mobic).html

>  <CAS Number> (278)
71125-38-7

$$$$
Mesna.cdx
csChFnd80/08251616502D

  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
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M  END
>  <Mol_ID> (279)
531

>  <Formula> (279)
C2H5NaO3S2

>  <MolWeight> (279)
164.17907

>  <Item Name> (279)
Mesna (Uromitexan, Mesnex)

>  <Catalog Number> (279)
S1735

>  <Synonyms> (279)
Uromitexan, Mesnex

>  <Target> (279)
Others

>  <Form> (279)
Free Base

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

>  <CAS Number> (279)
19767-45-4

$$$$
METHOCARBAMOL (methocarbamol).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (280)
532

>  <Formula> (280)
C11H15NO5

>  <MolWeight> (280)
241.2405

>  <Item Name> (280)
Methocarbamol (Robaxin)

>  <Catalog Number> (280)
S1736

>  <Synonyms> (280)
Robaxin

>  <Target> (280)
Others

>  <Form> (280)
Free Base

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

>  <CAS Number> (280)
532-03-6

$$$$
MICARDIS (telmisartan).cdx
csChFnd80/08251616502D

 39 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (281)
533

>  <Formula> (281)
C33H30N4O2

>  <MolWeight> (281)
514.6169

>  <Item Name> (281)
Telmisartan (Micardis)

>  <Catalog Number> (281)
S1738

>  <Synonyms> (281)
Targit

>  <Target> (281)
Others

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/Telmisartan(Micardis).html

>  <CAS Number> (281)
144701-48-4

$$$$
MINTEZOL (thiabendazole).cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (282)
534

>  <Formula> (282)
C10H7N3S

>  <MolWeight> (282)
201.24768

>  <Item Name> (282)
Thiabendazole

>  <Catalog Number> (282)
S1739

>  <Synonyms> (282)
Mintezol, Equizole

>  <Target> (282)
Others

>  <Form> (282)
Free Base

>  <URL> (282)
http://www.selleckchem.com/products/Thiabendazole.html

>  <CAS Number> (282)
148-79-8

$$$$
MUCINEX (guaifenesin).cdx
csChFnd80/08251616502D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (283)
535

>  <Formula> (283)
C10H14O4

>  <MolWeight> (283)
198.21576

>  <Item Name> (283)
Guaifenesin (Guaiphenesin)

>  <Catalog Number> (283)
S1740

>  <Synonyms> (283)
Guaiphenesin, Glyceryl guaiacolate

>  <Target> (283)
Others

>  <Form> (283)
Free Base

>  <URL> (283)
http://www.selleckchem.com/products/Guaifenesin(Guaiphenesin).html

>  <CAS Number> (283)
93-14-1

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/08251616502D

 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> (284)
536

>  <Formula> (284)
C15H14N4O

>  <MolWeight> (284)
266.29786

>  <Item Name> (284)
Nevirapine (Viramune)

>  <Catalog Number> (284)
S1742

>  <Synonyms> (284)
Viramune, BI-RG 587

>  <Target> (284)
Others

>  <Form> (284)
Free Base

>  <URL> (284)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (284)
129618-40-2

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/08251616502D

 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
    4.8916    6.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    7.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    4.2877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    4.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    6.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8916    4.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2916    6.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9916    7.9250    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    8.3916    7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2916    9.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2144    6.7924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.2144    9.0576    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   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
   12.9707    8.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7583    9.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1831    6.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3955    7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8916    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    1.4851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    1.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -2.1521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -2.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8916   -2.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2916    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9916    1.4851    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    8.3916    1.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2916    2.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2144    0.3525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5459    0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5459    2.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2144    2.6177    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   11.7583    0.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9707    0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9707    2.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7583    2.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1831    0.0851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3955    0.7851    0.0000 C   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
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
  4 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
 13 15  2  0  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 14  1  0  0  0  0
 17 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
 21 24  1  0  0  0  0
 24 25  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
 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
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 38  1  0  0  0  0
 41 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 42  1  0  0  0  0
 45 48  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
>  <Mol_ID> (285)
537

>  <Formula> (285)
C34H36MgN6O6S2

>  <MolWeight> (285)
713.12124

>  <Item Name> (285)
Esomeprazole magnesium (Nexium)

>  <Catalog Number> (285)
S1743

>  <Synonyms> (285)
Nexium

>  <Target> (285)
5-alpha Reductase

>  <Form> (285)
Magnesium Salt

>  <URL> (285)
http://www.selleckchem.com/products/Esomeprazole-magnesium(Nexium).html

>  <CAS Number> (285)
161973-10-0 

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/08251616502D

 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
    4.8497    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    5.6073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5049    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
    6.0664    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4955    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    6.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2098    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
  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 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
  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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (286)
538

>  <Formula> (286)
C21H26N2O7

>  <MolWeight> (286)
418.44034

>  <Item Name> (286)
Nimodipine (Nimotop)

>  <Catalog Number> (286)
S1747

>  <Synonyms> (286)
Nimotop

>  <Target> (286)
Others

>  <Form> (286)
Free Base

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

>  <CAS Number> (286)
66085-59-4

$$$$
OXYTROL (oxybutynin).cdx
csChFnd80/08251616502D

 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
    0.8397    5.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    4.0082    0.0000 C   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
    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
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0580    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.0124    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
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6800    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.0926    2.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5098    3.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 11 16  1  0  0  0  0
  7 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  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
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (287)
539

>  <Formula> (287)
C22H31NO3

>  <MolWeight> (287)
357.48644

>  <Item Name> (287)
Oxybutynin (Ditropan)

>  <Catalog Number> (287)
S1754

>  <Synonyms> (287)
Ditropan, Lyrinel XL, Oxytrol 

>  <Target> (287)
Others

>  <Form> (287)
Free Base

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

>  <CAS Number> (287)
5633-20-5

$$$$
Pitavastatin calcium.cdx
csChFnd80/08251616502D

 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    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8297    9.4078    0.0000 N   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> (288)
540

>  <Formula> (288)
C50H46CaF2N2O8

>  <MolWeight> (288)
880.9836464

>  <Item Name> (288)
Pitavastatin calcium (Livalo)

>  <Catalog Number> (288)
S1759

>  <Synonyms> (288)
Livalo

>  <Target> (288)
Others

>  <Form> (288)
Calcium

>  <URL> (288)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

>  <CAS Number> (288)
147526-32-7

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/08251616502D

  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 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
    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
  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> (289)
541

>  <Formula> (289)
C5H5N3O

>  <MolWeight> (289)
123.1127

>  <Item Name> (289)
Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (289)
S1762

>  <Synonyms> (289)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat 

>  <Target> (289)
Others

>  <Form> (289)
Free Base

>  <URL> (289)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (289)
98-96-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/08251616502D

 62 67  0  0  0  0  0  0  0  0999 V2000
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   12.3102    4.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5184    5.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (290)
542

>  <Formula> (290)
C46H54N6O8S2

>  <MolWeight> (290)
883.08636

>  <Item Name> (290)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (290)
S1763

>  <Synonyms> (290)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (290)
Dopamine Receptor

>  <Form> (290)
Fumarate

>  <URL> (290)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (290)
111974-72-2

$$$$
SOLATENE (beta carotene).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (291)
543

>  <Formula> (291)
C40H56

>  <MolWeight> (291)
536.87264

>  <Item Name> (291)
Beta Carotene

>  <Catalog Number> (291)
S1767

>  <Synonyms> (291)
¦Â,¦Â-Carotene, Provitamin A, Solatene, ¦Â-Carotene 

>  <Target> (291)
Others

>  <Form> (291)
Free Base

>  <URL> (291)
http://www.selleckchem.com/products/Beta-Carotene.html

>  <CAS Number> (291)
7235-40-7

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (292)
544

>  <Formula> (292)
C25H28N6O7S3

>  <MolWeight> (292)
620.72082

>  <Item Name> (292)
Cefditoren pivoxil

>  <Catalog Number> (292)
S1768

>  <Synonyms> (292)
Spectracef , Meiact

>  <Target> (292)
5-alpha Reductase 

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/Cefditoren-pivoxil.html

>  <CAS Number> (292)
117467-28-4 

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (293)
545

>  <Formula> (293)
C10H10N4O2S

>  <MolWeight> (293)
250.277

>  <Item Name> (293)
Sulfadiazine

>  <Catalog Number> (293)
S1770

>  <Synonyms> (293)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (293)
Others

>  <Form> (293)
Free Base

>  <URL> (293)
http://www.selleckchem.com/products/Sulfadiazine.html

>  <CAS Number> (293)
68-35-9

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (294)
546

>  <Formula> (294)
C18H18ClNS

>  <MolWeight> (294)
315.86022

>  <Item Name> (294)
Chlorprothixene

>  <Catalog Number> (294)
S1771

>  <Synonyms> (294)
Cloxan, Taractan, Truxal

>  <Target> (294)
Others

>  <Form> (294)
Free Base

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

>  <CAS Number> (294)
113-59-7

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/08251616502D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    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
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (295)
547

>  <Formula> (295)
C22H24N2O9

>  <MolWeight> (295)
460.43396

>  <Item Name> (295)
Oxytetracycline (Terramycin)

>  <Catalog Number> (295)
S1773

>  <Synonyms> (295)
Terramycin, Liquamycin

>  <Target> (295)
NULL

>  <Form> (295)
Free Base

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

>  <CAS Number> (295)
79-57-2

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/08251616502D

 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
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    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
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 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (296)
550

>  <Formula> (296)
C8H10N2S

>  <MolWeight> (296)
166.2434

>  <Item Name> (296)
Ethionamide

>  <Catalog Number> (296)
S1777

>  <Synonyms> (296)
2-ethylthioisonicotinamide, Trecator SC, Amidazine 

>  <Target> (296)
Others

>  <Form> (296)
Free Base

>  <URL> (296)
http://www.selleckchem.com/products/Ethionamide.html

>  <CAS Number> (296)
536-33-4

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/08251616502D

 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
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    2.4207    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (297)
551

>  <Formula> (297)
C10H11F3N2O5

>  <MolWeight> (297)
296.1999496

>  <Item Name> (297)
Trifluridine (Viroptic)

>  <Catalog Number> (297)
S1778

>  <Synonyms> (297)
Viroptic, Trifluorothymidine

>  <Target> (297)
NULL

>  <Form> (297)
Free Base

>  <URL> (297)
http://www.selleckchem.com/products/Trifluridine(Viroptic).html

>  <CAS Number> (297)
70-00-8

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    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  1  1  0  0  0  0
  1  6  1  1  0  0  0
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  2  8  1  6  0  0  0
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 11 16  2  0  0  0  0
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M  END
>  <Mol_ID> (298)
552

>  <Formula> (298)
C8H12N4O5

>  <MolWeight> (298)
244.20468

>  <Item Name> (298)
Azacitidine (Vidaza)

>  <Catalog Number> (298)
S1782

>  <Synonyms> (298)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (298)
DNA/RNA Synthesis

>  <Form> (298)
Free Base

>  <URL> (298)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (298)
320-67-2

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/08251616502D

 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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    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   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
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 11  9  1  6  0  0  0
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 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (299)
553

>  <Formula> (299)
C10H13N5O4

>  <MolWeight> (299)
267.24132

>  <Item Name> (299)
Vidarabine (Vira-A)

>  <Catalog Number> (299)
S1784

>  <Synonyms> (299)
Vira-A

>  <Target> (299)
5-alpha Reductase 

>  <Form> (299)
Free Base

>  <URL> (299)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

>  <CAS Number> (299)
5536-17-4

$$$$
VUMON (teniposide).cdx
csChFnd80/08251616502D

 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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   11.9026    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9026    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4777    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6902    4.1903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9026    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1108    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1108    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (300)
554

>  <Formula> (300)
C32H32O13S

>  <MolWeight> (300)
656.65368

>  <Item Name> (300)
Teniposide (Vumon)

>  <Catalog Number> (300)
S1787

>  <Synonyms> (300)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (300)
Others

>  <Form> (300)
Free Base

>  <URL> (300)
http://www.selleckchem.com/products/Teniposide(Vumon).html

>  <CAS Number> (300)
29767-20-2

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (301)
555

>  <Formula> (301)
C43H51N3O11

>  <MolWeight> (301)
785.87854

>  <Item Name> (301)
Rifaximin (Xifaxan)

>  <Catalog Number> (301)
S1790

>  <Synonyms> (301)
Rifacol, Fatroximin

>  <Target> (301)
Others

>  <Form> (301)
Free Base

>  <URL> (301)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (301)
80621-81-4

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/08251616502D

 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
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    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (302)
556

>  <Formula> (302)
C25H38O5

>  <MolWeight> (302)
418.56622

>  <Item Name> (302)
Simvastatin (Zocor)

>  <Catalog Number> (302)
S1792

>  <Synonyms> (302)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (302)
Others

>  <Form> (302)
Free Base

>  <URL> (302)
http://www.selleckchem.com/products/Simvastatin(Zocor).html

>  <CAS Number> (302)
79902-63-9

$$$$
ALTACE (ramipril).cdx
csChFnd80/08251616502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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    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
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   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
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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
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  8  9  1  0  0  0  0
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 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
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 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> (303)
557

>  <Formula> (303)
C23H32N2O5

>  <MolWeight> (303)
416.51058

>  <Item Name> (303)
Ramipril (Altace)

>  <Catalog Number> (303)
S1793

>  <Synonyms> (303)
Tritace

>  <Target> (303)
RAAS

>  <Form> (303)
Free Base

>  <URL> (303)
http://www.selleckchem.com/products/Ramipril(Altace).html

>  <CAS Number> (303)
87333-19-5

$$$$
FENOFIBRATE (MICRONIZED) (fenofibrate).cdx
csChFnd80/08251616502D

 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
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    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
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   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
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   13.3073    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  6  1  1  0  0  0  0
  2  7  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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 15  9  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
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M  END
>  <Mol_ID> (304)
558

>  <Formula> (304)
C20H21ClO4

>  <MolWeight> (304)
360.83134

>  <Item Name> (304)
Fenofibrate (Tricor, Trilipix)

>  <Catalog Number> (304)
S1794

>  <Synonyms> (304)
Antara, Fenoglide, Fibricor, Lipofen, Lofibra, Triglide 

>  <Target> (304)
NULL

>  <Form> (304)
Free Base

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

>  <CAS Number> (304)
49562-28-9

$$$$
RANEXA (ranolazine).cdx
csChFnd80/08251616502D

 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
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    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
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   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
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   12.1033    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 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> (305)
559

>  <Formula> (305)
C24H33N3O4

>  <MolWeight> (305)
427.53652

>  <Item Name> (305)
Ranolazine (Ranexa)

>  <Catalog Number> (305)
S1799

>  <Synonyms> (305)
Ranexa

>  <Target> (305)
Others

>  <Form> (305)
Free Base

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

>  <CAS Number> (305)
95635-55-5

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/08251616502D

 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
    0.0000    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   13.1446    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3570    1.4905    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   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
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  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
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 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> (306)
560

>  <Formula> (306)
C13H23ClN4O3S

>  <MolWeight> (306)
350.86472

>  <Item Name> (306)
Ranitidine (Zantac)

>  <Catalog Number> (306)
S1801

>  <Synonyms> (306)
Azantac

>  <Target> (306)
NULL

>  <Form> (306)
Hydrochloride

>  <URL> (306)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (306)
66357-59-3

$$$$
Acipimox.cdx
csChFnd80/08251616502D

 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
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    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
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    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
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  3  7  1  0  0  0  0
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  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (307)
561

>  <Formula> (307)
C6H6N2O3

>  <MolWeight> (307)
154.12344

>  <Item Name> (307)
Acipimox 

>  <Catalog Number> (307)
S1806

>  <Synonyms> (307)
K-9321, Olbemox, Olbetam

>  <Target> (307)
Others

>  <Form> (307)
Free Base

>  <URL> (307)
http://www.selleckchem.com/products/Acipimox.html

>  <CAS Number> (307)
51037-30-0

$$$$
Acyclovir.cdx
csChFnd80/08251616502D

 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
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    3.6289    3.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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  6  1  0  0  0  0
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 11 12  2  0  0  0  0
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 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> (308)
562

>  <Formula> (308)
C8H11N5O3

>  <MolWeight> (308)
225.20464

>  <Item Name> (308)
Acyclovir (Aciclovir)

>  <Catalog Number> (308)
S1807

>  <Synonyms> (308)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (308)
Others

>  <Form> (308)
Free Base

>  <URL> (308)
http://www.selleckchem.com/products/Acyclovir(Aciclovir).html

>  <CAS Number> (308)
59277-89-3 

$$$$
ADALAT (nifedipine).cdx
csChFnd80/08251616502D

 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
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    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
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    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6742    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
  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
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 12 19  1  0  0  0  0
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  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> (309)
563

>  <Formula> (309)
C17H18N2O6

>  <MolWeight> (309)
346.33462

>  <Item Name> (309)
Nifedipine (Adalat)

>  <Catalog Number> (309)
S1808

>  <Synonyms> (309)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (309)
Others

>  <Form> (309)
Free Base

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

>  <CAS Number> (309)
21829-25-4

$$$$
Amiloride hydrochloride.cdx
csChFnd80/08251616502D

 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
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    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
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    4.8582    0.0024    0.0000 N   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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  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (310)
564

>  <Formula> (310)
C6H9Cl2N7O

>  <MolWeight> (310)
266.08796

>  <Item Name> (310)
Amiloride hydrochloride (Midamor)

>  <Catalog Number> (310)
S1811

>  <Synonyms> (310)
Midamor, Colectril, Amipramizide, Guanamprazine hydrochloride

>  <Target> (310)
Others

>  <Form> (310)
Hydrochloride

>  <URL> (310)
http://www.selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

>  <CAS Number> (310)
2016-88-8

$$$$
Azatadine dimaleate.cdx
csChFnd80/08251616502D

 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
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    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
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M  CFW  26 B_NG_STER 3
M  CFW  33 B_NG_STER 3
M  END
>  <Mol_ID> (311)
565

>  <Formula> (311)
C28H30N2O8

>  <MolWeight> (311)
522.5464

>  <Item Name> (311)
Azatadine maleate

>  <Catalog Number> (311)
S3186

>  <Synonyms> (311)
N/A 

>  <Target> (311)
Histamine Receptor

>  <Form> (311)
Maleate

>  <URL> (311)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (311)
3978-86-7

$$$$
Amlodipine besylate.cdx
csChFnd80/08251616502D

 38 39  0  0  0  0  0  0  0  0999 V2000
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    8.4660    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (312)
568

>  <Formula> (312)
C26H31ClN2O8S

>  <MolWeight> (312)
567.05094

>  <Item Name> (312)
Amlodipine besylate (Norvasc)

>  <Catalog Number> (312)
S1813

>  <Synonyms> (312)
Istin

>  <Target> (312)
Others

>  <Form> (312)
Besylate

>  <URL> (312)
selleckchem.com/products/Amlodipine-besylate(Norvasc).html

>  <CAS Number> (312)
111470-99-6

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/08251616502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (313)
570

>  <Formula> (313)
C9H5Cl2NO

>  <MolWeight> (313)
214.0481

>  <Item Name> (313)
Chloroxine

>  <Catalog Number> (313)
S1839

>  <Synonyms> (313)
Capitrol

>  <Target> (313)
Others

>  <Form> (313)
Free Base

>  <URL> (313)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (313)
773-76-2

$$$$
CEENU (lomustine).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (314)
571

>  <Formula> (314)
C9H16ClN3O2

>  <MolWeight> (314)
233.69524

>  <Item Name> (314)
Lomustine (CeeNU)

>  <Catalog Number> (314)
S1840

>  <Synonyms> (314)
CCNU 

>  <Target> (314)
Others

>  <Form> (314)
Free Base

>  <URL> (314)
http://www.selleckchem.com/products/Lomustine(CeeNU).html

>  <CAS Number> (314)
13010-47-4

$$$$
CHENIX (chenodiol).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (315)
572

>  <Formula> (315)
C24H40O4

>  <MolWeight> (315)
392.572

>  <Item Name> (315)
Chenodeoxycholic acid

>  <Catalog Number> (315)
S1843

>  <Synonyms> (315)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid 

>  <Target> (315)
NULL

>  <Form> (315)
Free Base

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

>  <CAS Number> (315)
474-25-9 

$$$$
cimetidine.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (316)
573

>  <Formula> (316)
C10H16N6S

>  <MolWeight> (316)
252.33924

>  <Item Name> (316)
Cimetidine (Tagamet)

>  <Catalog Number> (316)
S1845

>  <Synonyms> (316)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (316)
NULL

>  <Form> (316)
Free Base

>  <URL> (316)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (316)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/08251616502D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (317)
574

>  <Formula> (317)
C25H30ClNO5

>  <MolWeight> (317)
459.9624

>  <Item Name> (317)
Clemastine Fumarate

>  <Catalog Number> (317)
S1847

>  <Synonyms> (317)
Tavist, Agasten 

>  <Target> (317)
Histamine Receptor

>  <Form> (317)
Free Base

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

>  <CAS Number> (317)
14976-57-9

$$$$
Daidzein.cdx
csChFnd80/08251616502D

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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (318)
575

>  <Formula> (318)
C15H10O4

>  <MolWeight> (318)
254.2375

>  <Item Name> (318)
Daidzein

>  <Catalog Number> (318)
S1849

>  <Synonyms> (318)
N/A

>  <Target> (318)
Others

>  <Form> (318)
Free Base

>  <URL> (318)
http://www.selleckchem.com/products/Daidzein.html

>  <CAS Number> (318)
486-66-8 

$$$$
Methylthiouracil.cdx
csChFnd80/08251616502D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (319)
578

>  <Formula> (319)
C5H6N2OS

>  <MolWeight> (319)
142.17894

>  <Item Name> (319)
Methylthiouracil

>  <Catalog Number> (319)
S3138

>  <Synonyms> (319)
N/A

>  <Target> (319)
Others

>  <Form> (319)
Free Base

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

>  <CAS Number> (319)
56-04-2

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/08251616502D

 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
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    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
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  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (320)
579

>  <Formula> (320)
C6H7N3O

>  <MolWeight> (320)
137.13928

>  <Item Name> (320)
Isoniazid (Tubizid)

>  <Catalog Number> (320)
S1937

>  <Synonyms> (320)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (320)
Angiogenesis

>  <Form> (320)
Free Base

>  <URL> (320)
http://www.selleckchem.com/products/Isoniazid(Tubizid).html

>  <CAS Number> (320)
54-85-3

$$$$
LEVOFLOXACIN (levofloxacin).cdx
csChFnd80/08251616502D

 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
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    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    1.3951    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> (321)
581

>  <Formula> (321)
C18H20FN3O4

>  <MolWeight> (321)
361.3675032

>  <Item Name> (321)
Levofloxacin (Levaquin)

>  <Catalog Number> (321)
S1940

>  <Synonyms> (321)
Levaquin, Tavanic

>  <Target> (321)
Others

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/Levofloxacin(Levaquin).html

>  <CAS Number> (321)
100986-85-4

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/08251616502D

 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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    3.6458    2.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4606    2.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1630    0.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5679    0.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (322)
582

>  <Formula> (322)
C24H32N2O9

>  <MolWeight> (322)
492.51888

>  <Item Name> (322)
Enalapril maleate (Vasotec)

>  <Catalog Number> (322)
S1941

>  <Synonyms> (322)
Glioten, Renitec 

>  <Target> (322)
Opioid Receptor

>  <Form> (322)
Maleate

>  <URL> (322)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (322)
76095-16-4

$$$$
MENADIONE (menadione).cdx
csChFnd80/08251616502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (323)
583

>  <Formula> (323)
C11H8O2

>  <MolWeight> (323)
172.18002

>  <Item Name> (323)
Menadione

>  <Catalog Number> (323)
S1949

>  <Synonyms> (323)
Vitamin K3

>  <Target> (323)
Others

>  <Form> (323)
Free Base

>  <URL> (323)
http://www.selleckchem.com/products/Menadione.html

>  <CAS Number> (323)
58-27-5

$$$$
Methoxsalen.cdx
csChFnd80/08251616502D

 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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M  END
>  <Mol_ID> (324)
585

>  <Formula> (324)
C12H8O4

>  <MolWeight> (324)
216.18952

>  <Item Name> (324)
Methoxsalen (Oxsoralen)

>  <Catalog Number> (324)
S1952

>  <Synonyms> (324)
Xanthotoxin, Metoxaleno,  Dltasoralen, Meladinine, Uvadex

>  <Target> (324)
Others

>  <Form> (324)
Free Base

>  <URL> (324)
http://www.selleckchem.com/products/Methoxsalen(Oxsoralen).html

>  <CAS Number> (324)
298-81-7

$$$$
Miconazole nitrate.cdx
csChFnd80/08251616502D

 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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 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> (325)
586

>  <Formula> (325)
C18H15Cl4N3O4

>  <MolWeight> (325)
479.1414

>  <Item Name> (325)
Miconazole nitrate

>  <Catalog Number> (325)
S1956

>  <Synonyms> (325)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (325)
Others

>  <Form> (325)
Nitrate 

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

>  <CAS Number> (325)
22832-87-7

$$$$
MYSOLINE (primidone).cdx
csChFnd80/08251616502D

 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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    4.5249    2.4249    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
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  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
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 15 10  1  0  0  0  0
  5 16  2  0  0  0  0
M  END
>  <Mol_ID> (326)
587

>  <Formula> (326)
C12H14N2O2

>  <MolWeight> (326)
218.25176

>  <Item Name> (326)
Primidone (Mysoline)

>  <Catalog Number> (326)
S1965

>  <Synonyms> (326)
Mysoline, Neurosyn, Mylepsin

>  <Target> (326)
Others

>  <Form> (326)
Free Base

>  <URL> (326)
http://www.selleckchem.com/products/Primidone(Mysoline).html

>  <CAS Number> (326)
125-33-7

$$$$
Nefiracetam.cdx
csChFnd80/08251616502D

 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
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
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 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> (327)
588

>  <Formula> (327)
C14H18N2O2

>  <MolWeight> (327)
246.30492

>  <Item Name> (327)
Nefiracetam (Translon)

>  <Catalog Number> (327)
S1969

>  <Synonyms> (327)
DM 9384, Translon, DZL-221

>  <Target> (327)
GABA Receptor

>  <Form> (327)
Free Base

>  <URL> (327)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (327)
77191-36-7

$$$$
Nicorandil.cdx
csChFnd80/08251616502D

 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
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 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (328)
589

>  <Formula> (328)
C8H9N3O4

>  <MolWeight> (328)
211.17476

>  <Item Name> (328)
Nicorandil (Ikorel)

>  <Catalog Number> (328)
S1971

>  <Synonyms> (328)
Ikorel, Dancor, Nikoran, Aprior, Nitorubin, Sigmart 

>  <Target> (328)
Others

>  <Form> (328)
Free Base

>  <URL> (328)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (328)
65141-46-0

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/08251616502D

 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
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    8.3872    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 16 10  1  0  0  0  0
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 29 30  2  0  0  0  0
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 35 36  2  0  0  0  0
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 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (329)
590

>  <Formula> (329)
C32H37NO8

>  <MolWeight> (329)
563.63808

>  <Item Name> (329)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (329)
S1972

>  <Synonyms> (329)
Istubal

>  <Target> (329)
Estrogen/progestogen Receptor

>  <Form> (329)
Citrate

>  <URL> (329)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (329)
54965-24-1

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/08251616502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (330)
592

>  <Formula> (330)
C18H24BrNO4

>  <MolWeight> (330)
398.29146

>  <Item Name> (330)
Methscopolamine (Pamine)

>  <Catalog Number> (330)
S1978

>  <Synonyms> (330)
N/A 

>  <Target> (330)
AChR

>  <Form> (330)
Bromide

>  <URL> (330)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (330)
155-41-9

$$$$
PROPYLTHIOURACIL (propylthiouracil).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (331)
593

>  <Formula> (331)
C7H10N2OS

>  <MolWeight> (331)
170.2321

>  <Item Name> (331)
Propylthiouracil

>  <Catalog Number> (331)
S1988

>  <Synonyms> (331)
6-n-Propylthiouracil

>  <Target> (331)
Others

>  <Form> (331)
Free Base

>  <URL> (331)
http://www.selleckchem.com/products/Propylthiouracil.html

>  <CAS Number> (331)
51-52-5

$$$$
untitled.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (332)
597

>  <Formula> (332)
C23H23ClFNO5

>  <MolWeight> (332)
447.8838232

>  <Item Name> (332)
Elvitegravir (GS-9137)

>  <Catalog Number> (332)
S2001

>  <Synonyms> (332)
N/A 

>  <Target> (332)
Integrase 

>  <Form> (332)
Free Base

>  <URL> (332)
http://www.selleckchem.com/products/Elvitegravir.html

>  <CAS Number> (332)
697761-98-1

$$$$
untitled.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (333)
598

>  <Formula> (333)
C29H41F2N5O

>  <MolWeight> (333)
513.6655464

>  <Item Name> (333)
Maraviroc

>  <Catalog Number> (333)
S2003

>  <Synonyms> (333)
UK-427857, Celsentri 

>  <Target> (333)
CCR5 

>  <Form> (333)
Free Base

>  <URL> (333)
http://www.selleckchem.com/products/Maraviroc.html

>  <CAS Number> (333)
376348-65-1

$$$$
Raltegravir.cdx
csChFnd80/08251616502D

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Raltegravir (MK-0518)

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Isentress 

>  <Target> (334)
Integrase

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Free Base

>  <URL> (334)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (334)
518048-05-0

$$$$
pyrimethamine.cdx
csChFnd80/08251616502D

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601

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C12H13ClN4

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>  <Item Name> (335)
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S2006

>  <Synonyms> (335)
Daraprim

>  <Target> (335)
NULL

>  <Form> (335)
Free Base

>  <URL> (335)
http://www.selleckchem.com/products/Pyrimethamine.html

>  <CAS Number> (335)
58-14-0

$$$$
Sulindac.cdx
csChFnd80/08251616502D

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602

>  <Formula> (336)
C20H17FO3S

>  <MolWeight> (336)
356.4105832

>  <Item Name> (336)
Sulindac (Clinoril)

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S2007

>  <Synonyms> (336)
Clinoril, Aflodac, Sulreuma

>  <Target> (336)
NULL

>  <Form> (336)
Free Base

>  <URL> (336)
http://www.selleckchem.com/products/Sulindac(Clinoril).html

>  <CAS Number> (336)
38194-50-2

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (337)
623

>  <Formula> (337)
C42H65NO16

>  <MolWeight> (337)
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>  <Item Name> (337)
Ammonium Glycyrrhizinate (AMGZ)

>  <Catalog Number> (337)
S2376

>  <Synonyms> (337)
AMGZ

>  <Target> (337)
Others

>  <Form> (337)
Glycyrrhizinate

>  <URL> (337)
http://www.selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

>  <CAS Number> (337)
1407-03-0

$$$$
D-Mannitol.cdx
csChFnd80/08251616502D

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    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
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  4 11  1  1  0  0  0
  5 12  1  1  0  0  0
M  END
>  <Mol_ID> (338)
628

>  <Formula> (338)
C6H14O6

>  <MolWeight> (338)
182.17176

>  <Item Name> (338)
D-Mannitol (Osmitrol)

>  <Catalog Number> (338)
S2381 

>  <Synonyms> (338)
Mannitol, Osmitrol, Osmofundin

>  <Target> (338)
Others

>  <Form> (338)
Free Base

>  <URL> (338)
http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (338)
69-65-8 

$$$$
Sorbitol.cdx
csChFnd80/08251616502D

 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
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  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> (339)
640

>  <Formula> (339)
C6H14O6

>  <MolWeight> (339)
182.17176

>  <Item Name> (339)
Sorbitol (Glucitol)

>  <Catalog Number> (339)
S2393

>  <Synonyms> (339)
Glucitol 

>  <Target> (339)
Others

>  <Form> (339)
Free Base

>  <URL> (339)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (339)
50-70-4 

$$$$
Pramipexole.cdx
csChFnd80/08251616502D

 17 15  0  0  0  0  0  0  0  0999 V2000
    4.8329    4.2583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8329    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    4.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.9559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.4257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    4.6910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4781    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    2.5421    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7037    2.5421    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
  1  7  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
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (340)
646

>  <Formula> (340)
C10H21Cl2N3OS

>  <MolWeight> (340)
302.26424

>  <Item Name> (340)
Pramipexole dihydrochloride monohydrate 

>  <Catalog Number> (340)
S2011

>  <Synonyms> (340)
Mirapex 

>  <Target> (340)
Others

>  <Form> (340)
2HCl

>  <URL> (340)
http://www.selleckchem.com/products/Pramipexole-dihydrochloride-monohydrate.html

>  <CAS Number> (340)
191217-81-9

$$$$
TRANCOPAL (chlormezanone).cdx
csChFnd80/08251616502D

 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
  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  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> (341)
647

>  <Formula> (341)
C11H12ClNO3S

>  <MolWeight> (341)
273.73588

>  <Item Name> (341)
Chlormezanone (Trancopal)

>  <Catalog Number> (341)
S2021

>  <Synonyms> (341)
Trancopal

>  <Target> (341)
Others

>  <Form> (341)
Free Base

>  <URL> (341)
http://www.selleckchem.com/products/Chlormezanone(Trancopal).html

>  <CAS Number> (341)
80-77-3

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/08251616502D

 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
    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 O   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
    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
   12.2224    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4404    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1404    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5404    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6472    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8597    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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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 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
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 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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 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> (342)
648

>  <Formula> (342)
C33H34N6O6

>  <MolWeight> (342)
610.65966

>  <Item Name> (342)
Candesartan cilexetil (Atacand)

>  <Catalog Number> (342)
S2037

>  <Synonyms> (342)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (342)
Others

>  <Form> (342)
Free Base

>  <URL> (342)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

>  <CAS Number> (342)
145040-37-5

$$$$
dextrose.cdx
csChFnd80/08251616502D

 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> (343)
649

>  <Formula> (343)
C6H12O6

>  <MolWeight> (343)
180.15588

>  <Item Name> (343)
Dextrose (D-glucose)

>  <Catalog Number> (343)
S2123

>  <Synonyms> (343)
D-glucose, Grape sugar 

>  <Target> (343)
Others

>  <Form> (343)
Free Base

>  <URL> (343)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

>  <CAS Number> (343)
50-99-7

$$$$
XYLO-PFAN (xylose).cdx
csChFnd80/08251616502D

 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> (344)
650

>  <Formula> (344)
C5H10O5

>  <MolWeight> (344)
150.1299

>  <Item Name> (344)
Xylose

>  <Catalog Number> (344)
S2124

>  <Synonyms> (344)
N/A

>  <Target> (344)
Others

>  <Form> (344)
Free Base

>  <URL> (344)
http://www.selleckchem.com/products/Xylose.html

>  <CAS Number> (344)
25990-60-7

$$$$
mestranol.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (345)
651

>  <Formula> (345)
C21H26O2

>  <MolWeight> (345)
310.42994

>  <Item Name> (345)
Mestranol

>  <Catalog Number> (345)
S2125

>  <Synonyms> (345)
N/A

>  <Target> (345)
NULL

>  <Form> (345)
Free Base

>  <URL> (345)
http://www.selleckchem.com/products/Mestranol.html

>  <CAS Number> (345)
72-33-3

$$$$
Naftopidil.cdx
csChFnd80/08251616502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (346)
652

>  <Formula> (346)
C24H28N2O3

>  <MolWeight> (346)
392.49072

>  <Item Name> (346)
Naftopidil (Flivas)

>  <Catalog Number> (346)
S2126

>  <Synonyms> (346)
KT-611, BM-15275 

>  <Target> (346)
Adrenergic Receptor

>  <Form> (346)
Free Base

>  <URL> (346)
http://www.selleckchem.com/products/Naftopidil(Flivas).html

>  <CAS Number> (346)
57149-07-2

$$$$
S-(+)-Rolipram.cdx
csChFnd80/08251616502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (347)
653

>  <Formula> (347)
C16H21NO3

>  <MolWeight> (347)
275.34284

>  <Item Name> (347)
S-(+)-Rolipram

>  <Catalog Number> (347)
S2127

>  <Synonyms> (347)
N/A

>  <Target> (347)
PDE

>  <Form> (347)
Free Base

>  <URL> (347)
http://www.selleckchem.com/products/sRolipram.html

>  <CAS Number> (347)
85416-73-5

$$$$
Atropine sulfate monohydrate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (348)
655

>  <Formula> (348)
C34H50N2O11S

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>  <Item Name> (348)
Atropine sulfate monohydrate

>  <Catalog Number> (348)
S2130

>  <Synonyms> (348)
N/A

>  <Target> (348)
Others

>  <Form> (348)
sulfate 

>  <URL> (348)
http://www.selleckchem.com/products/Atropine-sulfate-monohydrate.html

>  <CAS Number> (348)
5908-99-6

$$$$
Roflumilast.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (349)
656

>  <Formula> (349)
C17H14Cl2F2N2O3

>  <MolWeight> (349)
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>  <Item Name> (349)
Roflumilast (Daxas)

>  <Catalog Number> (349)
S2131

>  <Synonyms> (349)
Daxas

>  <Target> (349)
PDE

>  <Form> (349)
Free Base

>  <URL> (349)
http://www.selleckchem.com/products/Roflumilast(Daxas).html

>  <CAS Number> (349)
162401-32-3

$$$$
Biotin.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (350)
660

>  <Formula> (350)
C10H16N2O3S

>  <MolWeight> (350)
244.31064

>  <Item Name> (350)
Biotin (Vitamin B7)

>  <Catalog Number> (350)
S3130

>  <Synonyms> (350)
N/A

>  <Target> (350)
Others

>  <Form> (350)
Free Base

>  <URL> (350)
http://www.selleckchem.com/products/biotin-vitamin-b7.html

>  <CAS Number> (350)
58-85-5

$$$$
Dexamethasone acetate.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (351)
662

>  <Formula> (351)
C24H31FO6

>  <MolWeight> (351)
434.4977432

>  <Item Name> (351)
Dexamethasone acetate

>  <Catalog Number> (351)
S3124

>  <Synonyms> (351)
N/A

>  <Target> (351)
Others

>  <Form> (351)
Free Base

>  <URL> (351)
http://www.selleckchem.com/products/dexamethasone-acetate.html

>  <CAS Number> (351)
1177-87-3

$$$$
Ethynodiol diacetate.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (352)
664

>  <Formula> (352)
C24H32O4

>  <MolWeight> (352)
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>  <Item Name> (352)
Ethynodiol diacetate

>  <Catalog Number> (352)
S3160

>  <Synonyms> (352)
N/A 

>  <Target> (352)
Estrogen/progestogen Receptor

>  <Form> (352)
Free Base

>  <URL> (352)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (352)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (353)
665

>  <Formula> (353)
C17H22ClNO

>  <MolWeight> (353)
291.81568

>  <Item Name> (353)
Atomoxetine HCl

>  <Catalog Number> (353)
S3175

>  <Synonyms> (353)
N/A 

>  <Target> (353)
5-HT Receptor

>  <Form> (353)
HCl

>  <URL> (353)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (353)
82248-59-7

$$$$
Methenamine.cdx
csChFnd80/08251616502D

 10 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (354)
669

>  <Formula> (354)
C6H12N4

>  <MolWeight> (354)
140.18628

>  <Item Name> (354)
Methenamine (Mandelamine)

>  <Catalog Number> (354)
S3139

>  <Synonyms> (354)
N/A 

>  <Target> (354)
Others

>  <Form> (354)
Free Base

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

>  <CAS Number> (354)
100-97-0 

$$$$
Moguisteine.cdx
csChFnd80/08251616502D

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   11.2870    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (355)
670

>  <Formula> (355)
C16H21NO5S

>  <MolWeight> (355)
339.40664

>  <Item Name> (355)
Moguisteine

>  <Catalog Number> (355)
S3104

>  <Synonyms> (355)
N/A 

>  <Target> (355)
Others

>  <Form> (355)
Free Base

>  <URL> (355)
http://www.selleckchem.com/products/moguisteine.html

>  <CAS Number> (355)
119637-67-1

$$$$
Nadifloxacin.cdx
csChFnd80/08251616502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (356)
671

>  <Formula> (356)
C19H21FN2O4

>  <MolWeight> (356)
360.3794432

>  <Item Name> (356)
Nadifloxacin

>  <Catalog Number> (356)
S3105

>  <Synonyms> (356)
Nadixa 

>  <Target> (356)
Others

>  <Form> (356)
Free Base

>  <URL> (356)
http://www.selleckchem.com/products/nadifloxacin.html

>  <CAS Number> (356)
124858-35-1

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/08251616502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  3  9  2  0  0  0  0
M  END
>  <Mol_ID> (357)
672

>  <Formula> (357)
C20H24ClN

>  <MolWeight> (357)
313.86426

>  <Item Name> (357)
Amitriptyline HCl 

>  <Catalog Number> (357)
S3183

>  <Synonyms> (357)
N/A 

>  <Target> (357)
5-HT Receptor

>  <Form> (357)
HCl 

>  <URL> (357)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (357)
549-18-8

$$$$
Sitafloxacin hydrate(1.5¸öË®).cdx
csChFnd80/08251616502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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1.5H2O
M  END
>  <Mol_ID> (358)
674

>  <Formula> (358)
C19H18ClF2N3O3R

>  <MolWeight> (358)
409.8143264

>  <Item Name> (358)
Sitafloxacin hydrate

>  <Catalog Number> (358)
S2152

>  <Synonyms> (358)
DU 6859A, DU 6859, DU-6859, LS-184401

>  <Target> (358)
Others

>  <Form> (358)
Free Base

>  <URL> (358)
http://www.selleckchem.com/products/Sitafloxacin(DU-6859A).html

>  <CAS Number> (358)
163253-35-8

$$$$
Dabigatran etexilate.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (359)
675

>  <Formula> (359)
C34H41N7O5

>  <MolWeight> (359)
627.73324

>  <Item Name> (359)
BIBR-1048 (Dabigatran)

>  <Catalog Number> (359)
S2154

>  <Synonyms> (359)
N/A 

>  <Target> (359)
Others

>  <Form> (359)
Free Base

>  <URL> (359)
http://www.selleckchem.com/products/BIBR-1048(Dabigatran-etexilate).html

>  <CAS Number> (359)
211915-06-9

$$$$
Tebipenem pivoxil.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (360)
677

>  <Formula> (360)
C22H31N3O6S2

>  <MolWeight> (360)
497.62804

>  <Item Name> (360)
Tebipenem pivoxil (L-084)

>  <Catalog Number> (360)
S2159

>  <Synonyms> (360)
L-084, TBPM-PI, ME1211 

>  <Target> (360)
Others

>  <Form> (360)
Free Base

>  <URL> (360)
http://www.selleckchem.com/products/Tebipenem-pivoxil(L-084).html

>  <CAS Number> (360)
161715-24-8

$$$$
Cyclophosphamide monohydrate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (361)
681

>  <Formula> (361)
C7H17Cl2N2O3P

>  <MolWeight> (361)
279.101241

>  <Item Name> (361)
Cyclophosphamide monohydrate

>  <Catalog Number> (361)
S2057

>  <Synonyms> (361)
N/A

>  <Target> (361)
Others

>  <Form> (361)
Monohydrate

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

>  <CAS Number> (361)
6055-19-2

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (362)
686

>  <Formula> (362)
C19H19ClN2

>  <MolWeight> (362)
310.82056

>  <Item Name> (362)
Desloratadine 

>  <Catalog Number> (362)
S4012

>  <Synonyms> (362)
N/A

>  <Target> (362)
Histamine Receptor

>  <Form> (362)
Free Base

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

>  <CAS Number> (362)
100643-71-8

$$$$
Ornidazole.cdx
csChFnd80/08251616502D

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  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (363)
687

>  <Formula> (363)
C7H10ClN3O3

>  <MolWeight> (363)
219.6256

>  <Item Name> (363)
Ornidazole

>  <Catalog Number> (363)
S3121

>  <Synonyms> (363)
N/A 

>  <Target> (363)
Others

>  <Form> (363)
Free Base

>  <URL> (363)
http://www.selleckchem.com/products/ornidazole.html

>  <CAS Number> (363)
16773-42-5

$$$$
Oxybutynin chloride.cdx
csChFnd80/08251616502D

 27 27  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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 15  8  1  0  0  0  0
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M  END
>  <Mol_ID> (364)
688

>  <Formula> (364)
C22H32ClNO3

>  <MolWeight> (364)
393.94738

>  <Item Name> (364)
Oxybutynin chloride

>  <Catalog Number> (364)
S3117

>  <Synonyms> (364)
N/A 

>  <Target> (364)
AChR

>  <Form> (364)
Chloride

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

>  <CAS Number> (364)
1508-65-2

$$$$
ivermectin.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (365)
691

>  <Formula> (365)
C48H74O14

>  <MolWeight> (365)
875.09276

>  <Item Name> (365)
Ivermectin

>  <Catalog Number> (365)
S1351

>  <Synonyms> (365)
Stromectol

>  <Target> (365)
Others

>  <Form> (365)
Free Base

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

>  <CAS Number> (365)
70288-86-7

$$$$
AVC (sulfanilamide).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (366)
692

>  <Formula> (366)
C6H8N2O2S

>  <MolWeight> (366)
172.20492

>  <Item Name> (366)
Sulfanilamide

>  <Catalog Number> (366)
S1685

>  <Synonyms> (366)
N/A

>  <Target> (366)
Others

>  <Form> (366)
Free Base

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

>  <CAS Number> (366)
63-74-1

$$$$
OSI 420.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (367)
704

>  <Formula> (367)
C21H22ClN3O4

>  <MolWeight> (367)
415.87008

>  <Item Name> (367)
OSI-420 (Desmethyl Erlotinib)

>  <Catalog Number> (367)
S2205

>  <Synonyms> (367)
CP-473420 

>  <Target> (367)
EGFR

>  <Form> (367)
Hydrochloride

>  <URL> (367)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

>  <CAS Number> (367)
183320-51-6

$$$$
DAPT.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (368)
710

>  <Formula> (368)
C23H26F2N2O4

>  <MolWeight> (368)
432.4603464

>  <Item Name> (368)
DAPT (GSI-IX)

>  <Catalog Number> (368)
S2215 

>  <Synonyms> (368)
GSI-IX

>  <Target> (368)
Gamma-secretase, Beta Amyloid

>  <Form> (368)
Free Base

>  <URL> (368)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

>  <CAS Number> (368)
208255-80-5

$$$$
irinotecan.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (369)
712

>  <Formula> (369)
C33H45ClN4O9

>  <MolWeight> (369)
677.1848

>  <Item Name> (369)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (369)
S2217 

>  <Synonyms> (369)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (369)
Topoisomerase

>  <Form> (369)
HCl

>  <URL> (369)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (369)
136572-09-3

$$$$
Azithromycin.cdx
csChFnd80/08251616502D

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 30 53  1  1  0  0  0
 41 54  1  1  0  0  0
M  END
>  <Mol_ID> (370)
733

>  <Formula> (370)
C38H72N2O12

>  <MolWeight> (370)
748.98448

>  <Item Name> (370)
Azithromycin

>  <Catalog Number> (370)
s1835

>  <Synonyms> (370)
CP-62993, XZ-450

>  <Target> (370)
autophagy

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/azithromycin-zithromax.h

>  <CAS Number> (370)
83905-01-5

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/08251616502D

 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
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   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
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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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    4.8540    0.0000    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
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (371)
744

>  <Formula> (371)
C20H25ClN2O5

>  <MolWeight> (371)
408.8759

>  <Item Name> (371)
Amlodipine (Norvasc)

>  <Catalog Number> (371)
S1905

>  <Synonyms> (371)
Istin, Norvasc, Caduet

>  <Target> (371)
Calcium Channel

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (371)
88150-42-9

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/08251616502D

 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
    6.0496    2.9313    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    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
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  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (372)
750

>  <Formula> (372)
C7H16ClNO3

>  <MolWeight> (372)
197.65984

>  <Item Name> (372)
DL-Carnitine hydrochloride

>  <Catalog Number> (372)
S2293

>  <Synonyms> (372)
N/A

>  <Target> (372)
Others

>  <Form> (372)
Hydrochloride

>  <URL> (372)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (372)
461-05-2

$$$$
Tolbutamide.cdx
csChFnd80/08251616502D

 18 18  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (373)
763

>  <Formula> (373)
C12H18N2O3S

>  <MolWeight> (373)
270.34792

>  <Item Name> (373)
Tolbutamide

>  <Catalog Number> (373)
S2443 

>  <Synonyms> (373)
N/A 

>  <Target> (373)
Potassium Channel 

>  <Form> (373)
Free Base

>  <URL> (373)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (373)
64-77-7

$$$$
Nalidixic acid.cdx
csChFnd80/08251616502D

 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
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    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
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  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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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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 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (374)
782

>  <Formula> (374)
C12H12N2O3

>  <MolWeight> (374)
232.23528

>  <Item Name> (374)
Nalidixic acid (NegGram)

>  <Catalog Number> (374)
S2328

>  <Synonyms> (374)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (374)
Others

>  <Form> (374)
Free Base

>  <URL> (374)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (374)
389-08-2

$$$$
Amantadine HCl.cdx
csChFnd80/08251616502D

 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
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  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> (375)
811

>  <Formula> (375)
C10H18ClN

>  <MolWeight> (375)
187.70962

>  <Item Name> (375)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (375)
S2451

>  <Synonyms> (375)
Symmetrel

>  <Target> (375)
Dopamine Receptor

>  <Form> (375)
Hydrochloride

>  <URL> (375)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (375)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/08251616502D

 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
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    4.8413    5.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.5642    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
  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> (376)
812

>  <Formula> (376)
C13H19Cl2NO

>  <MolWeight> (376)
276.20206

>  <Item Name> (376)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (376)
S2452

>  <Synonyms> (376)
Wellbutrin, Zyban, Budeprion

>  <Target> (376)
Dopamine Receptor

>  <Form> (376)
Hydrochloride

>  <URL> (376)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (376)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/08251616502D

 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> (377)
813

>  <Formula> (377)
C10H16ClN3O5

>  <MolWeight> (377)
293.70414

>  <Item Name> (377)
Benserazide

>  <Catalog Number> (377)
S2453

>  <Synonyms> (377)
Serazide

>  <Target> (377)
Dopamine Receptor

>  <Form> (377)
Hydrochloride

>  <URL> (377)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (377)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/08251616502D

 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> (378)
814

>  <Formula> (378)
C18H29ClN2O

>  <MolWeight> (378)
324.88866

>  <Item Name> (378)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (378)
S2454

>  <Synonyms> (378)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (378)
Others

>  <Form> (378)
Hydrochloride

>  <URL> (378)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (378)
18010-40-7

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/08251616502D

 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> (379)
816

>  <Formula> (379)
C7H17ClN2O2

>  <MolWeight> (379)
196.67508

>  <Item Name> (379)
Bethanechol chloride

>  <Catalog Number> (379)
S2455

>  <Synonyms> (379)
N/A 

>  <Target> (379)
AChR

>  <Form> (379)
Chloride

>  <URL> (379)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (379)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/08251616502D

 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> (380)
817

>  <Formula> (380)
C17H20Cl2N2S

>  <MolWeight> (380)
355.3251

>  <Item Name> (380)
Chlorpromazine (Sonazine)

>  <Catalog Number> (380)
S2456

>  <Synonyms> (380)
Promacid

>  <Target> (380)
Dopamine Receptor, Potassium Channel

>  <Form> (380)
Hydrochloride

>  <URL> (380)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (380)
69-09-0

$$$$
Clindamycin HCl.cdx
csChFnd80/08251616502D

 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> (381)
818

>  <Formula> (381)
C18H34Cl2N2O5S

>  <MolWeight> (381)
461.44396

>  <Item Name> (381)
Clindamycin hydrochloride (Dalacin)

>  <Catalog Number> (381)
S2457

>  <Synonyms> (381)
Dalacin, Duac, BenzaClin,Clindoxyl, Acanya 

>  <Target> (381)
Others

>  <Form> (381)
Hydrochloride

>  <URL> (381)
http://www.selleckchem.com/products/Clindamycin-hydrochloride(Dalacin).html

>  <CAS Number> (381)
21462-39-5

$$$$
Clonidine HCl.cdx
csChFnd80/08251616502D

 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> (382)
819

>  <Formula> (382)
C9H10Cl3N3

>  <MolWeight> (382)
266.5548

>  <Item Name> (382)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (382)
S2458

>  <Synonyms> (382)
Catapres

>  <Target> (382)
Adrenergic Receptor

>  <Form> (382)
Hydrochloride

>  <URL> (382)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (382)
4205-91-8

$$$$
Clozapine.cdx
csChFnd80/08251616502D

 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
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    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
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    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
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    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> (383)
820

>  <Formula> (383)
C18H19ClN4

>  <MolWeight> (383)
326.82326

>  <Item Name> (383)
Clozapine (Clozaril)

>  <Catalog Number> (383)
S2459

>  <Synonyms> (383)
Leponex, Fazaclo

>  <Target> (383)
5-HT Receptor

>  <Form> (383)
Free Base

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

>  <CAS Number> (383)
5786-21-0

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/08251616502D

 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
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    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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  2  0  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
M  END
>  <Mol_ID> (384)
821

>  <Formula> (384)
C19H28O2

>  <MolWeight> (384)
288.42442

>  <Item Name> (384)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (384)
S2604

>  <Synonyms> (384)
DHEA

>  <Target> (384)
Androgen Receptor

>  <Form> (384)
Free Base

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

>  <CAS Number> (384)
53-43-0

$$$$
Domperidone.cdx
csChFnd80/08251616502D

 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
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   10.0673    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0673    4.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 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
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 18  4  1  0  0  0  0
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 27 21  1  0  0  0  0
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 23 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (385)
822

>  <Formula> (385)
C22H24ClN5O2

>  <MolWeight> (385)
425.91126

>  <Item Name> (385)
Domperidone (Motilium)

>  <Catalog Number> (385)
S2461

>  <Synonyms> (385)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (385)
Dopamine Receptor

>  <Form> (385)
Free Base

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

>  <CAS Number> (385)
57808-66-9

$$$$
Estriol.cdx
csChFnd80/08251616502D

 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
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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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    6.0580    3.5000    0.0000 H   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  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
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 17 12  1  0  0  0  0
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 10 19  1  6  0  0  0
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  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> (386)
824

>  <Formula> (386)
C18H24O3

>  <MolWeight> (386)
288.38136

>  <Item Name> (386)
Estriol

>  <Catalog Number> (386)
S2466

>  <Synonyms> (386)
Oestriol

>  <Target> (386)
Estrogen/progestogen Receptor

>  <Form> (386)
Free Base

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

>  <CAS Number> (386)
50-27-1

$$$$
Famciclovir.cdx
csChFnd80/08251616502D

 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
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    2.4207    7.4253    0.0000 N   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
  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> (387)
825

>  <Formula> (387)
C14H19N5O4

>  <MolWeight> (387)
321.33176

>  <Item Name> (387)
Famciclovir (Famvir)

>  <Catalog Number> (387)
S2467

>  <Synonyms> (387)
Famvir

>  <Target> (387)
Others

>  <Form> (387)
Free Base

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

>  <CAS Number> (387)
104227-87-4

$$$$
Fenbendazole.cdx
csChFnd80/08251616502D

 21 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
    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    0.0024    0.0000 S   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
    6.0580    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    0.2698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.5351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8224    3.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9151    2.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    5.0313    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 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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  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
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (388)
826

>  <Formula> (388)
C15H13N3O2S

>  <MolWeight> (388)
299.34762

>  <Item Name> (388)
Fenbendazole (Panacur)

>  <Catalog Number> (388)
S2468

>  <Synonyms> (388)
 Panacur, Safe-Guard

>  <Target> (388)
Others

>  <Form> (388)
Free Base

>  <URL> (388)
http://www.selleckchem.com/products/Fenbendazole(Panacur).html

>  <CAS Number> (388)
43210-67-9

$$$$
Gallamine triethiodide.cdx
csChFnd80/08251616502D

 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
    2.0756    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.9503    5.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4924    4.7392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    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> (389)
828

>  <Formula> (389)
C30H60I3N3O3

>  <MolWeight> (389)
891.52911

>  <Item Name> (389)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (389)
S2471

>  <Synonyms> (389)
Flaxedil

>  <Target> (389)
AChR

>  <Form> (389)
iodide

>  <URL> (389)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (389)
65-29-2

$$$$
Imatinib.cdx
csChFnd80/08251616502D

 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
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    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> (390)
831

>  <Formula> (390)
C29H31N7O

>  <MolWeight> (390)
493.60274

>  <Item Name> (390)
Imatinib (STI571) 

>  <Catalog Number> (390)
S2475 

>  <Synonyms> (390)
STI571, Glivec

>  <Form> (390)
Free Base

>  <URL> (390)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (390)
152459-95-5

$$$$
Lincomycin  HCl.cdx
csChFnd80/08251616502D

 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
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    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
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M  END
>  <Mol_ID> (391)
832

>  <Formula> (391)
C18H35ClN2O6S

>  <MolWeight> (391)
442.9983

>  <Item Name> (391)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (391)
S2479

>  <Synonyms> (391)
Lincocin

>  <Target> (391)
Others

>  <Form> (391)
Hydrochloride

>  <URL> (391)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (391)
859-18-7

$$$$
Loperamide HCl.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (392)
833

>  <Formula> (392)
C29H34Cl2N2O2

>  <MolWeight> (392)
513.49846

>  <Item Name> (392)
Loperamide hydrochloride

>  <Catalog Number> (392)
S2480

>  <Synonyms> (392)
N/A

>  <Target> (392)
Opioid Receptor

>  <Form> (392)
Hydrochloride

>  <URL> (392)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (392)
34552-83-5

$$$$
Manidipine.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (393)
834

>  <Formula> (393)
C35H38N4O6

>  <MolWeight> (393)
610.69942

>  <Item Name> (393)
Manidipine (Manyper)

>  <Catalog Number> (393)
S2481

>  <Synonyms> (393)
Artedil, Iperten 

>  <Target> (393)
Calcium Channel

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/Manidipine(Manyper).html

>  <CAS Number> (393)
89226-50-6

$$$$
PCI-32765.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (394)
838

>  <Formula> (394)
C25H24N6O2

>  <MolWeight> (394)
440.49706

>  <Item Name> (394)
PCI-32765 (Ibrutinib)

>  <Catalog Number> (394)
S2680

>  <Synonyms> (394)
N/A

>  <Target> (394)
Src

>  <Form> (394)
Free Base

>  <URL> (394)
http://www.selleckchem.com/products/pci-32765.html

>  <CAS Number> (394)
936563-96-1

$$$$
Milrinone.cdx
csChFnd80/08251616502D

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    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
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  5  6  2  0  0  0  0
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 11 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <Mol_ID> (395)
845

>  <Formula> (395)
C12H9N3O

>  <MolWeight> (395)
211.21936

>  <Item Name> (395)
Milrinone (Primacor)

>  <Catalog Number> (395)
S2484

>  <Synonyms> (395)
Primacor

>  <Target> (395)
ATPase

>  <Form> (395)
Free Base

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

>  <CAS Number> (395)
78415-72-2

$$$$

csChFnd80/08251616502D

 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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
  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
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (396)
846

>  <Formula> (396)
C22H30Cl2N4O6

>  <MolWeight> (396)
517.4028

>  <Item Name> (396)
Mitoxantrone Hydrochloride

>  <Catalog Number> (396)
S2485

>  <Synonyms> (396)
Novantrone

>  <Target> (396)
Others

>  <Form> (396)
Hydrochloride

>  <URL> (396)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (396)
70476-82-3

$$$$
Moroxydine HCl.cdx
csChFnd80/08251616502D

 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> (397)
847

>  <Formula> (397)
C6H14ClN5O

>  <MolWeight> (397)
207.66126

>  <Item Name> (397)
Moroxydine

>  <Catalog Number> (397)
S2486

>  <Synonyms> (397)
N/A

>  <Target> (397)
Others

>  <Form> (397)
Hydrochloride

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

>  <CAS Number> (397)
3160-91-6

$$$$
Mycophenolic acid.cdx
csChFnd80/08251616502D

 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
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   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
  1  7  1  0  0  0  0
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  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
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
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  3 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 22  2  0  0  0  0
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M  END
>  <Mol_ID> (398)
848

>  <Formula> (398)
C17H20O6

>  <MolWeight> (398)
320.3371

>  <Item Name> (398)
Mycophenolic (Mycophenolate)

>  <Catalog Number> (398)
S2487

>  <Synonyms> (398)
Mycophenolate

>  <Target> (398)
Others

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

>  <CAS Number> (398)
24280-93-1

$$$$
nateglinide.cdx
csChFnd80/08251616502D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    2.7976    0.0000 C   0  0  1  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
   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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  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  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  1  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  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> (399)
849

>  <Formula> (399)
C19H27NO3

>  <MolWeight> (399)
317.42258

>  <Item Name> (399)
Nateglinide (Starlix)

>  <Catalog Number> (399)
S2489

>  <Synonyms> (399)
Starlix

>  <Target> (399)
Potassium Channel

>  <Form> (399)
Free Base

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

>  <CAS Number> (399)
105816-04-4

$$$$
Itraconazole.cdx
csChFnd80/08251616502D

 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
   18.0419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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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 49 45  1  0  0  0  0
M  END
>  <Mol_ID> (400)
850

>  <Formula> (400)
C35H38Cl2N8O4

>  <MolWeight> (400)
705.63342

>  <Item Name> (400)
Itraconazole (Sporanox)

>  <Catalog Number> (400)
S2476

>  <Synonyms> (400)
Sporanox

>  <Target> (400)
Others

>  <Form> (400)
Free Base

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

>  <CAS Number> (400)
84625-61-6

$$$$
Nitrendipine.cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (401)
852

>  <Formula> (401)
C18H20N2O6

>  <MolWeight> (401)
360.3612

>  <Item Name> (401)
Nitrendipine

>  <Catalog Number> (401)
S2491

>  <Synonyms> (401)
N/A

>  <Target> (401)
Calcium Channel

>  <Form> (401)
Free Base

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

>  <CAS Number> (401)
39562-70-4

$$$$
Novobiocin sodium.cdx
csChFnd80/08251616502D

 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
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  3  4  1  0  0  0  0
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 30 32  1  0  0  0  0
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 10 37  1  0  0  0  0
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 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (402)
853

>  <Formula> (402)
C31H35N2NaO11

>  <MolWeight> (402)
634.60617

>  <Item Name> (402)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (402)
S2492

>  <Synonyms> (402)
Albamycin, Cathomycin

>  <Target> (402)
Others

>  <Form> (402)
Sodium Salt

>  <URL> (402)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (402)
1476-53-5

$$$$
Olanzapine.cdx
csChFnd80/08251616502D

 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
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  3  1  0  0  0  0
 13 15  1  0  0  0  0
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 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> (403)
854

>  <Formula> (403)
C17H20N4S

>  <MolWeight> (403)
312.4325

>  <Item Name> (403)
Olanzapine (Zyprexa)

>  <Catalog Number> (403)
S2493

>  <Synonyms> (403)
Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera 

>  <Target> (403)
5-HT Receptor, Dopamine Receptor

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/Olanzapine(Zyprexa).html

>  <CAS Number> (403)
132539-06-1

$$$$
Olopatadine HCl.cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (404)
855

>  <Formula> (404)
C21H24ClNO3

>  <MolWeight> (404)
373.87316

>  <Item Name> (404)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (404)
S2494

>  <Synonyms> (404)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (404)
Histamine Receptor

>  <Form> (404)
Hydrochloride

>  <URL> (404)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (404)
140462-76-6

$$$$
Oxymetazoline HCl.cdx
csChFnd80/08251616502D

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    6.1700    0.0000    0.0000 Cl  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  2  0  0  0  0
M  END
>  <Mol_ID> (405)
856

>  <Formula> (405)
C16H25ClN2O

>  <MolWeight> (405)
296.8355

>  <Item Name> (405)
Oxymetazoline hydrochloride

>  <Catalog Number> (405)
S2495

>  <Synonyms> (405)
N/A

>  <Target> (405)
Adrenergic Receptor

>  <Form> (405)
Hydrochloride

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

>  <CAS Number> (405)
2315-02-8

$$$$
Ozagrel.cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (406)
857

>  <Formula> (406)
C13H12N2O2

>  <MolWeight> (406)
228.24658

>  <Item Name> (406)
Ozagrel

>  <Catalog Number> (406)
S2496

>  <Synonyms> (406)
OKY 046 

>  <Target> (406)
Factor Xa

>  <Form> (406)
Free Base

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

>  <CAS Number> (406)
82571-53-7

$$$$
Pancuronium bromide.cdx
csChFnd80/08251616502D

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    4.8455    4.8951    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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 34 35  1  0  0  0  0
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 22 37  1  0  0  0  0
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 44 23  1  0  0  0  0
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M  END
>  <Mol_ID> (407)
858

>  <Formula> (407)
C35H60Br2N2O4

>  <MolWeight> (407)
732.6699

>  <Item Name> (407)
Pancuronium (Pavulon)

>  <Catalog Number> (407)
S2497

>  <Synonyms> (407)
N/A 

>  <Target> (407)
AChR

>  <Form> (407)
Bromide

>  <URL> (407)
http://www.selleckchem.com/products/Pancuronium-bromide(Pavulon).html

>  <CAS Number> (407)
15500-66-0

$$$$
Quinine hydrochloride dihydrate.cdx
csChFnd80/08251616502D

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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (408)
860

>  <Formula> (408)
C20H29ClN2O4

>  <MolWeight> (408)
396.90826

>  <Item Name> (408)
Quinine hydrochloride dihydrate

>  <Catalog Number> (408)
S2502

>  <Synonyms> (408)
N/A

>  <Target> (408)
Others

>  <Form> (408)
Dydrate

>  <URL> (408)
http://www.selleckchem.com/products/Quinine-hydrochloride-dihydrate.html

>  <CAS Number> (408)
6119-47-7 

$$$$
Racecadotril.cdx
csChFnd80/08251616502D

 27 28  0  0  0  0  0  0  0  0999 V2000
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   12.0991    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  2  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  2  0  0  0  0
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M  END
>  <Mol_ID> (409)
861

>  <Formula> (409)
C21H23NO4S

>  <MolWeight> (409)
385.47662

>  <Item Name> (409)
Racecadotril (Acetorphan)

>  <Catalog Number> (409)
S2503

>  <Synonyms> (409)
Acetorphan

>  <Target> (409)
Opioid Receptor

>  <Form> (409)
Free Base

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

>  <CAS Number> (409)
81110-73-8

$$$$
Ribavirin.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  2  6  1  1  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
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 14 16  2  0  0  0  0
  6 17  1  0  0  0  0
M  END
>  <Mol_ID> (410)
862

>  <Formula> (410)
C8H12N4O5

>  <MolWeight> (410)
244.20468

>  <Item Name> (410)
Ribavirin (Copegus)

>  <Catalog Number> (410)
S2504

>  <Synonyms> (410)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (410)
Others

>  <Form> (410)
Free Base

>  <URL> (410)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

>  <CAS Number> (410)
36791-04-5

$$$$
Rosiglitazone maleate.cdx
csChFnd80/08251616502D

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (411)
863

>  <Formula> (411)
C22H23N3O7S

>  <MolWeight> (411)
473.49892

>  <Item Name> (411)
Rosiglitazone maleate

>  <Catalog Number> (411)
S2505

>  <Synonyms> (411)
N/A

>  <Target> (411)
PPAR

>  <Form> (411)
Maleate

>  <URL> (411)
http://www.selleckchem.com/products/Rosiglitazone-maleate.html

>  <CAS Number> (411)
155141-29-0

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/08251616502D

 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
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 12  5  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 18  1  0  0  0  0
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 20  1  1  6  0  0  0
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M  END
>  <Mol_ID> (412)
865

>  <Formula> (412)
C17H22BrNO4

>  <MolWeight> (412)
384.26488

>  <Item Name> (412)
Scopolamine hydrobromide

>  <Catalog Number> (412)
S2508

>  <Synonyms> (412)
N/A

>  <Target> (412)
Others

>  <Form> (412)
Hydrobromide

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

>  <CAS Number> (412)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/08251616502D

 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
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    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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
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 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> (413)
866

>  <Formula> (413)
C12H21ClN2O3S

>  <MolWeight> (413)
308.82474

>  <Item Name> (413)
Sotalol (Betapace)

>  <Catalog Number> (413)
S2509

>  <Synonyms> (413)
Sotalex

>  <Target> (413)
Adrenergic Receptor

>  <Form> (413)
Hydrochloride

>  <URL> (413)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (413)
959-24-0

$$$$
Spectinomycin  HCl.cdx
csChFnd80/08251616502D

 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
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    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> (414)
867

>  <Formula> (414)
C14H26Cl2N2O7

>  <MolWeight> (414)
405.27144

>  <Item Name> (414)
Spectinomycin  hydrochloride

>  <Catalog Number> (414)
S2510

>  <Synonyms> (414)
N/A

>  <Target> (414)
Others

>  <Form> (414)
Hydrochloride

>  <URL> (414)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (414)
21736-83-4

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/08251616502D

 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
    7.2620    3.9497    0.0000 C   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> (415)
869

>  <Formula> (415)
C21H26ClN

>  <MolWeight> (415)
327.89084

>  <Item Name> (415)
Terbinafine hydrochloride (Lamisil)

>  <Catalog Number> (415)
S2557

>  <Synonyms> (415)
Zabel

>  <Target> (415)
Others

>  <Form> (415)
Hydrochloride

>  <URL> (415)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

>  <CAS Number> (415)
78628-80-5

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/08251616502D

 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
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   14.5429    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  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> (416)
870

>  <Formula> (416)
C23H39ClN6O7S

>  <MolWeight> (416)
579.10976

>  <Item Name> (416)
Vardenafil hydrochloride trihydrate

>  <Catalog Number> (416)
S2515

>  <Synonyms> (416)
Levitra 

>  <Target> (416)
PDE

>  <Form> (416)
HCl

>  <URL> (416)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (416)
330808-88-3

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/08251616502D

 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
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  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> (417)
871

>  <Formula> (417)
C20H24ClN

>  <MolWeight> (417)
313.86426

>  <Item Name> (417)
Maprotiline hydrochloride

>  <Catalog Number> (417)
S2517

>  <Synonyms> (417)
Deprilept, Ludiomil, Psymion

>  <Target> (417)
Reuptake inhibitor

>  <Form> (417)
Hydrochloride

>  <URL> (417)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (417)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/08251616502D

 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
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    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> (418)
872

>  <Formula> (418)
C14H15ClN2

>  <MolWeight> (418)
246.7353

>  <Item Name> (418)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (418)
S2519

>  <Synonyms> (418)
Naphcon, Albalon

>  <Target> (418)
Adrenergic Receptor

>  <Form> (418)
Hydrochloride

>  <URL> (418)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (418)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/08251616502D

 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> (419)
873

>  <Formula> (419)
C13H19NO9

>  <MolWeight> (419)
333.29126

>  <Item Name> (419)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (419)
S2521

>  <Synonyms> (419)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (419)
Adrenergic Receptor

>  <Form> (419)
Bitartrate

>  <URL> (419)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (419)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/08251616502D

 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> (420)
874

>  <Formula> (420)
C9H13NO3

>  <MolWeight> (420)
183.20442

>  <Item Name> (420)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (420)
S2522

>  <Synonyms> (420)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (420)
Others

>  <Form> (420)
Free Base

>  <URL> (420)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (420)
51-43-4

$$$$
Phenytoin sodium.cdx
csChFnd80/08251616502D

 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> (421)
875

>  <Formula> (421)
C15H11N2NaO2

>  <MolWeight> (421)
274.24981

>  <Item Name> (421)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (421)
S2524

>  <Synonyms> (421)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (421)
Sodium Channel

>  <Form> (421)
Sodium Salt

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

>  <CAS Number> (421)
630-93-3

$$$$
Phenytoin.cdx
csChFnd80/08251616502D

 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> (422)
876

>  <Formula> (422)
C15H12N2O2

>  <MolWeight> (422)
252.26798

>  <Item Name> (422)
Phenytoin (Lepitoin)

>  <Catalog Number> (422)
S2525

>  <Synonyms> (422)
Di-Hydan, Dihycon, Dilabid, Diphedan, Diphenat, Diphenylan, Diphenylhydantoin, Hydantol, Lehydan, NS

>  <Target> (422)
Sodium Channel

>  <Form> (422)
Free Base

>  <URL> (422)
http://www.selleckchem.com/products/Phenytoin-Lepitoin.html

>  <CAS Number> (422)
57-41-0

$$$$
Methacycline hydrochloride.cdx
csChFnd80/08251616502D

 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> (423)
877

>  <Formula> (423)
C22H23ClN2O8

>  <MolWeight> (423)
478.87962

>  <Item Name> (423)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (423)
S2527

>  <Synonyms> (423)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline 

>  <Target> (423)
Others

>  <Form> (423)
Hydrochloride 

>  <URL> (423)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (423)
3963-95-9

$$$$
Ciclopirox.cdx
csChFnd80/08251616502D

 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> (424)
878

>  <Formula> (424)
C12H17NO2

>  <MolWeight> (424)
207.26888

>  <Item Name> (424)
Ciclopirox (Penlac)

>  <Catalog Number> (424)
S2528

>  <Synonyms> (424)
Batrafen, Loprox, Mycoster, Stieprox, HOE 296b 

>  <Target> (424)
Others

>  <Form> (424)
Free Base

>  <URL> (424)
http://www.selleckchem.com/products/Ciclopirox-Penlac.html

>  <CAS Number> (424)
29342-05-0

$$$$
Dopamine hydrochloride.cdx
csChFnd80/08251616502D

 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> (425)
879

>  <Formula> (425)
C8H12ClNO2

>  <MolWeight> (425)
189.63938

>  <Item Name> (425)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (425)
S2529

>  <Synonyms> (425)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (425)
Dopamine Receptor

>  <Form> (425)
Hydrochloride 

>  <URL> (425)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (425)
62-31-7

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/08251616502D

 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
    5.6872    0.7477    0.0000 H   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
    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> (426)
883

>  <Formula> (426)
C17H22ClNO3

>  <MolWeight> (426)
323.81448

>  <Item Name> (426)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (426)
S2533

>  <Synonyms> (426)
DU 21220; Miolene; NSC 291565

>  <Target> (426)
Adrenergic Receptor

>  <Form> (426)
Hydrochloride

>  <URL> (426)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (426)
23239-51-2

$$$$
Isoconazole nitrate.cdx
csChFnd80/08251616502D

 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> (427)
884

>  <Formula> (427)
C18H15Cl4N3O4

>  <MolWeight> (427)
479.1414

>  <Item Name> (427)
Isoconazole nitrate (Travogen)

>  <Catalog Number> (427)
S2534

>  <Synonyms> (427)
Adestan G 100, Fazol, Gyno-Travogen, R 15454, Travogyn 

>  <Target> (427)
Others

>  <Form> (427)
Nitrate 

>  <URL> (427)
http://www.selleckchem.com/products/Isoconazole-nitrate-Travogen.html

>  <CAS Number> (427)
24168-96-5

$$$$
Econazole nitrate.cdx
csChFnd80/08251616502D

 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> (428)
885

>  <Formula> (428)
C18H16Cl3N3O4

>  <MolWeight> (428)
444.69634

>  <Item Name> (428)
Econazole nitrate (Spectazole)

>  <Catalog Number> (428)
S2535

>  <Synonyms> (428)
Ecostatin, Epi-Pevaryl, Gyno-Pevaryl, Gynoryl, Ifenec, Micogin, NSC 243115, Palavale, Pevaryl 

>  <Target> (428)
Others

>  <Form> (428)
Nitrate

>  <URL> (428)
http://www.selleckchem.com/products/Econazole-nitrate-Spectazole.html

>  <CAS Number> (428)
24169-02-6

$$$$
Miconazole.cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (429)
886

>  <Formula> (429)
C18H14Cl4N2O

>  <MolWeight> (429)
416.12856

>  <Item Name> (429)
Miconazole (Monistat)

>  <Catalog Number> (429)
S2536

>  <Synonyms> (429)
Daktarin IV, MJR 1762, Monistat IV, NSC 170986, R 18134, Zimybase 

>  <Target> (429)
Others

>  <Form> (429)
Free Base

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

>  <CAS Number> (429)
22916-47-8

$$$$
Secnidazole.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (430)
887

>  <Formula> (430)
C7H11N3O3

>  <MolWeight> (430)
185.18054

>  <Item Name> (430)
Secnidazole (Flagentyl)

>  <Catalog Number> (430)
S2537

>  <Synonyms> (430)
PM 185184, RP 14539, Sindose, Secnil

>  <Target> (430)
Others

>  <Form> (430)
Free Base

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

>  <CAS Number> (430)
3366-95-8

$$$$
untitled.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (431)
888

>  <Formula> (431)
C19H18ClN3O5S

>  <MolWeight> (431)
435.88132

>  <Item Name> (431)
Rivaroxaban (Xarelto)

>  <Catalog Number> (431)
S3002

>  <Synonyms> (431)
N/A 

>  <Target> (431)
Factor Xa

>  <Form> (431)
Free Base

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

>  <CAS Number> (431)
366789-02-8

$$$$
P.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (432)
890

>  <Formula> (432)
C43H68ClNO11

>  <MolWeight> (432)
810.45312

>  <Item Name> (432)
Pimecrolimus

>  <Catalog Number> (432)
S5004

>  <Synonyms> (432)
Elidel, SDZ-ASM-981

>  <Target> (432)
Others

>  <Form> (432)
Free Base

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

>  <CAS Number> (432)
137071-32-0

$$$$
CP-690550 citrate.cdx
csChFnd80/08251616502D

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    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  6  0  0  0
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 19 20  2  0  0  0  0
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 21 22  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 30  2  0  0  0  0
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 31 32  2  0  0  0  0
 31 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
M  END
>  <Mol_ID> (433)
896

>  <Formula> (433)
C22H28N6O8

>  <MolWeight> (433)
504.49312

>  <Item Name> (433)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (433)
S5001

>  <Synonyms> (433)
N/A 

>  <Target> (433)
JAK

>  <Form> (433)
Citrate

>  <URL> (433)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (433)
540737-29-9

$$$$
Toremifene Citrate.cdx
csChFnd80/08251616502D

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    9.7079    8.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    6.6585    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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 21 25  2  0  0  0  0
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 28 29  2  0  0  0  0
 29 25  1  0  0  0  0
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 32 33  1  0  0  0  0
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 35 36  2  0  0  0  0
 31 37  2  0  0  0  0
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 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 33 41  1  0  0  0  0
 35 42  1  0  0  0  0
M  END
>  <Mol_ID> (434)
897

>  <Formula> (434)
C32H36ClNO8

>  <MolWeight> (434)
598.08314

>  <Item Name> (434)
Toremifene Citrate (Fareston, Acapodene)

>  <Catalog Number> (434)
S1776

>  <Synonyms> (434)
Fareston, Acapodene

>  <Target> (434)
Others

>  <Form> (434)
Citrate 

>  <URL> (434)
www.selleckchem.com/products/Toremifene-Citrate(Fareston).html

>  <CAS Number> (434)
89778-27-8

$$$$
Esomeprazole sodium.cdx
csChFnd80/08251616502D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.3269    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.9957    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    3.5921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    0.0000    0.0000 Na  0  3  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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  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  2  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
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 19 25  1  0  0  0  0
M  END
>  <Mol_ID> (435)
900

>  <Formula> (435)
C17H18N3NaO3S

>  <MolWeight> (435)
367.39789

>  <Item Name> (435)
Esomeprazole sodium (Nexium)

>  <Catalog Number> (435)
S2233

>  <Synonyms> (435)
N/A 

>  <Target> (435)
ATPase

>  <Form> (435)
Free Base

>  <URL> (435)
http://www.selleckchem.com/products/Esomeprazole-sodium-Nexium-I.V..html

>  <CAS Number> (435)
161796-78-7

$$$$
TAME.cdx
csChFnd80/08251616502D

 23 23  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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  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
  8 11  2  0  0  0  0
  9 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
 14 16  1  0  0  0  0
 12 17  1  1  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (436)
903

>  <Formula> (436)
C14H22N4O4S

>  <MolWeight> (436)
342.41388

>  <Item Name> (436)
TAME

>  <Catalog Number> (436)
S2225 

>  <Synonyms> (436)
N/A

>  <Target> (436)
APC

>  <Form> (436)
Free Base

>  <URL> (436)
http://www.selleckchem.com/products/TAME.html

>  <CAS Number> (436)
901-47-3

$$$$
Clomipramine hydrochloride.cdx
csChFnd80/08251616502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.6481    4.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3481    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2210    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9095    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8309    3.8982    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 12  4  1  0  0  0  0
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 16  8  1  0  0  0  0
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M  END
>  <Mol_ID> (437)
907

>  <Formula> (437)
C19H24Cl2N2

>  <MolWeight> (437)
351.31326

>  <Item Name> (437)
Clomipramine hydrochloride (Anafranil)

>  <Catalog Number> (437)
S2541

>  <Synonyms> (437)
Anafranil

>  <Target> (437)
5-HT Receptor

>  <Form> (437)
Hydrochloride

>  <URL> (437)
http://www.selleckchem.com/products/Clomipramine-hydrochloride-Anafranil.html

>  <CAS Number> (437)
17321-77-6

$$$$
Ceftiofur hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (438)
909

>  <Formula> (438)
C19H18ClN5O7S3

>  <MolWeight> (438)
560.02352

>  <Item Name> (438)
Ceftiofur hydrochloride 

>  <Catalog Number> (438)
S2543

>  <Synonyms> (438)
N/A

>  <Target> (438)
Others

>  <Form> (438)
Hydrochloride 

>  <URL> (438)
http://www.selleckchem.com/products/Ceftiofur-hydrochloride.html

>  <CAS Number> (438)
103980-44-5

$$$$
Acetanilide.cdx
csChFnd80/08251616502D

 10 10  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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    3.6331    2.1024    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <Mol_ID> (439)
910

>  <Formula> (439)
C8H9NO

>  <MolWeight> (439)
135.16316

>  <Item Name> (439)
Acetanilide (Antifebrin)

>  <Catalog Number> (439)
S2538

>  <Synonyms> (439)
N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (439)
Others

>  <Form> (439)
Free Base

>  <URL> (439)
http://www.selleckchem.com/products/Acetanilide-Antifebrin.html

>  <CAS Number> (439)
103-84-4

$$$$
Phenformin hydrochloride.cdx
csChFnd80/08251616502D

 16 15  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
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    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
    3.6458    0.0024    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
    6.0706    0.0024    0.0000 N   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
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M  END
>  <Mol_ID> (440)
911

>  <Formula> (440)
C10H16ClN5

>  <MolWeight> (440)
241.72054

>  <Item Name> (440)
Phenformin hydrochloride 

>  <Catalog Number> (440)
S2542

>  <Synonyms> (440)
N/A

>  <Target> (440)
AMPK

>  <Form> (440)
Hydrochloride 

>  <URL> (440)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (440)
834-28-6

$$$$
erythromycin.cdx
csChFnd80/08251616502D

 52 54  0  0  0  0  0  0  0  0999 V2000
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 40 42  1  0  0  0  0
 37 43  1  1  0  0  0
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 38 37  1  0  0  0  0
 36 37  1  0  0  0  0
 35 36  1  0  0  0  0
 27 29  1  1  0  0  0
 39 40  1  6  0  0  0
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 30 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 48  1  1  0  0  0
 32 44  1  0  0  0  0
 32 49  1  6  0  0  0
 31 50  1  1  0  0  0
 44 51  1  0  0  0  0
 35 52  1  1  0  0  0
M  END
>  <Mol_ID> (441)
912

>  <Formula> (441)
C37H67NO13

>  <MolWeight> (441)
733.92678

>  <Item Name> (441)
Erythromycin

>  <Catalog Number> (441)
s1635

>  <Synonyms> (441)
E-Mycin

>  <Target> (441)
Others

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/Erythromycin(E-Mycin).ht

>  <CAS Number> (441)
114-07-8

$$$$
Trospium chloride.cdx
csChFnd80/08251616502D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.7530   10.2591    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.3404    6.9562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0245    8.2170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5669    9.7107    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2603    7.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6028    6.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241    5.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2326    5.5652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1008    9.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0366    4.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366    4.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1341    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1341    5.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5293    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8341    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2293    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6293    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3293    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6293    4.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2293    4.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2241    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 14 17  1  0  0  0  0
 14 18  1  0  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
 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> (442)
919

>  <Formula> (442)
C25H30ClNO3

>  <MolWeight> (442)
427.9636

>  <Item Name> (442)
Trospium chloride (Sanctura)

>  <Catalog Number> (442)
S2549

>  <Synonyms> (442)
Sanctura

>  <Target> (442)
AChR

>  <Form> (442)
Chloride

>  <URL> (442)
http://www.selleckchem.com/products/Trospium-chloride-Sanctura.html

>  <CAS Number> (442)
10405-02-4

$$$$
Tolterodine tartrate.cdx
csChFnd80/08251616502D

 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
    2.4291    7.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    7.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    4.9097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1073    0.0000 C   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
    4.8582    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   15.7291    4.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   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
   15.7291    1.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6291    3.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0291    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1291    1.9749    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
  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> (443)
920

>  <Formula> (443)
C26H37NO7

>  <MolWeight> (443)
475.57448

>  <Item Name> (443)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (443)
S2550

>  <Synonyms> (443)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (443)
AChR

>  <Form> (443)
Tartrate 

>  <URL> (443)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (443)
124937-52-6

$$$$
Clomifene citrate.cdx
csChFnd80/08251616502D

 42 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    8.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    8.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    7.6061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    8.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    6.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    5.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0041    0.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4248    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6330    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8412    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0495    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2577    0.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0495    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6330    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4248    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8412    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9954    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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  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> (444)
922

>  <Formula> (444)
C32H36ClNO8

>  <MolWeight> (444)
598.08314

>  <Item Name> (444)
Clomifene citrate (Serophene)

>  <Catalog Number> (444)
S2561

>  <Synonyms> (444)
Clomid, Serophene, Milophene

>  <Target> (444)
Estrogen/progestogen Receptor

>  <Form> (444)
Citrate

>  <URL> (444)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (444)
50-41-9

$$$$
Cloxacillin sodium.cdx
csChFnd80/08251616502D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.9743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    4.7619    6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    3.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    5.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    7.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    7.4773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (445)
923

>  <Formula> (445)
C19H19ClN3NaO6S

>  <MolWeight> (445)
475.87843

>  <Item Name> (445)
Cloxacillin sodium

>  <Catalog Number> (445)
S2564

>  <Synonyms> (445)
Cloxapen, Cloxacap, Orbenin

>  <Target> (445)
Others

>  <Form> (445)
Sodium Salt

>  <URL> (445)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (445)
7081-44-9

$$$$
Niacin(acid).cdx
csChFnd80/08251616502D

  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> (446)
924

>  <Formula> (446)
C6H5NO2

>  <MolWeight> (446)
123.1094

>  <Item Name> (446)
Niacin (Nicotinic acid)

>  <Catalog Number> (446)
S1744 

>  <Synonyms> (446)
Vitamin B3, Niacinamide, Nicotinic acid

>  <Target> (446)
Others

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/Niacin(Nicotinic-acid).html

>  <CAS Number> (446)
59-67-6

$$$$
Cortisone acetate.cdx
csChFnd80/08251616502D

 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> (447)
925

>  <Formula> (447)
C23H30O6

>  <MolWeight> (447)
402.4807

>  <Item Name> (447)
Cortisone acetate (Cortone)

>  <Catalog Number> (447)
S2559

>  <Synonyms> (447)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (447)
Others

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (447)
50-04-4

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/08251616502D

 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> (448)
927

>  <Formula> (448)
C11H18ClNO3

>  <MolWeight> (448)
247.71852

>  <Item Name> (448)
Isoprenaline hydrochloride

>  <Catalog Number> (448)
S2566

>  <Synonyms> (448)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (448)
Adrenergic Receptor

>  <Form> (448)
Hydrochloride

>  <URL> (448)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

>  <CAS Number> (448)
51-30-9

$$$$
Rosiglitazone.cdx
csChFnd80/08251616502D

 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> (449)
928

>  <Formula> (449)
C18H19N3O3S

>  <MolWeight> (449)
357.42676

>  <Item Name> (449)
Rosiglitazone (Avandia)

>  <Catalog Number> (449)
S2556

>  <Synonyms> (449)
Avandia, BRL-49653

>  <Target> (449)
PPAR

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/Rosiglitazone-Avandia.html

>  <CAS Number> (449)
122320-73-4

$$$$
Edaravone.cdx
csChFnd80/08251616502D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.1287    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602    3.5921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6782    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3782    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7782    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4782    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7782    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3782    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    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  1  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  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
  1 12  1  0  0  0  0
  3 13  2  0  0  0  0
M  END
>  <Mol_ID> (450)
945

>  <Formula> (450)
C10H10N2O

>  <MolWeight> (450)
174.1992

>  <Item Name> (450)
Edaravone (MCI-186)

>  <Catalog Number> (450)
S1326 

>  <Synonyms> (450)
Radicut 

>  <Target> (450)
Others

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/Edaravone.html

>  <CAS Number> (450)
89-25-8

$$$$
Suplatast tosylate.cdx
csChFnd80/08251616502D

 33 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (451)
969

>  <Formula> (451)
C23H33NO7S2

>  <MolWeight> (451)
499.64062

>  <Item Name> (451)
Suplatast tosylate

>  <Catalog Number> (451)
S2015

>  <Synonyms> (451)
IPD 1151T

>  <Target> (451)
Others

>  <Form> (451)
Tosylate

>  <URL> (451)
http://www.selleckchem.com/products/suplatast-tosilate.html

>  <CAS Number> (451)
94055-76-2

$$$$
Apatinib.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (452)
972

>  <Formula> (452)
C25H27N5O4S

>  <MolWeight> (452)
493.57798

>  <Item Name> (452)
Apatinib (YN968D1)

>  <Catalog Number> (452)
S2221

>  <Synonyms> (452)
YN968D1

>  <Target> (452)
VEGFR

>  <Form> (452)
Sulfate

>  <URL> (452)
http://www.selleckchem.com/products/Apatinib-YN968D1.html

>  <CAS Number> (452)
811803-05-1

$$$$
LIDEX-E (fluocinonide).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (453)
975

>  <Formula> (453)
C26H32F2O7

>  <MolWeight> (453)
494.5248864

>  <Item Name> (453)
Fluocinonide (Vanos)

>  <Catalog Number> (453)
S2608

>  <Synonyms> (453)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (453)
Others

>  <Form> (453)
Free Base

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

>  <CAS Number> (453)
356-12-7

$$$$
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 10 20  1  6  0  0  0
 12 21  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 13 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 13  1  0  0  0  0
 27 29  2  0  0  0  0
 25 30  1  1  0  0  0
  7 30  1  0  0  0  0
 28 31  1  1  0  0  0
M  END
>  <Mol_ID> (454)
976

>  <Formula> (454)
C20H24O9

>  <MolWeight> (454)
408.39916

>  <Item Name> (454)
Ginkgolide A

>  <Catalog Number> (454)
S2026

>  <Synonyms> (454)
BN52020

>  <Target> (454)
GABA Receptor

>  <Form> (454)
Free Base

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

>  <CAS Number> (454)
15291-75-5

$$$$
Curcumin.cdx
csChFnd80/08251616502D

 27 28  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
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5577    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4158    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
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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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 17  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 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 17  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (455)
977

>  <Formula> (455)
C21H20O6

>  <MolWeight> (455)
368.3799

>  <Item Name> (455)
Curcumin

>  <Catalog Number> (455)
S1848

>  <Synonyms> (455)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (455)
Others

>  <Form> (455)
Free Base

>  <URL> (455)
http://www.selleckchem.com/products/Curcumin.html

>  <CAS Number> (455)
458-37-7

$$$$
Prednisolone acetate.cdx
csChFnd80/08251616502D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2261    6.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8919    6.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5737    6.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5636    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    8.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9112    7.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5 22  1  1  0  0  0
  9 23  1  1  0  0  0
 14 24  1  1  0  0  0
 12 25  1  1  0  0  0
 10 26  1  6  0  0  0
 11 27  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (456)
981

>  <Formula> (456)
C23H30O6

>  <MolWeight> (456)
402.4807

>  <Item Name> (456)
Prednisolone acetate (Omnipred)

>  <Catalog Number> (456)
S2570

>  <Synonyms> (456)
Omnipred

>  <Target> (456)
Others

>  <Form> (456)
Free Base

>  <URL> (456)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

>  <CAS Number> (456)
52-21-1

$$$$
Dimethyl Fumarate.cdx
csChFnd80/08251616502D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (457)
982

>  <Formula> (457)
C6H8O4

>  <MolWeight> (457)
144.12532

>  <Item Name> (457)
Dimethyl Fumarate

>  <Catalog Number> (457)
S2586 

>  <Synonyms> (457)
N/A

>  <Target> (457)
Others

>  <Form> (457)
Fumarate

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

>  <CAS Number> (457)
624-49-7

$$$$
Amoxicillin sodium.cdx
csChFnd80/08251616502D

 27 28  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    4.1903    0.0000 O   0  0  0  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
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8660    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8660    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    3.4927    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
    7.4795    4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975    1.6601    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0204    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975    3.9253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2328    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2328    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6286    5.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6951    6.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9933    5.5423    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6688   15.6189    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.6478    0.7147    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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 10  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 12  1  0  0  0  0
  8 16  1  6  0  0  0
 15 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 14  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 13 27  1  1  0  0  0
M  END
>  <Mol_ID> (458)
992

>  <Formula> (458)
C16H18N3NaO5S

>  <MolWeight> (458)
387.38599

>  <Item Name> (458)
Amoxicillin sodium (Amox)

>  <Catalog Number> (458)
S2565

>  <Synonyms> (458)
Amoxycillin 

>  <Target> (458)
Others

>  <Form> (458)
Sodium Salt

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

>  <CAS Number> (458)
34642-77-8

$$$$
Brompheniramine maleate.cdx
csChFnd80/08251616502D

 27 27  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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   13.7414    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9496    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7414    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5332    2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  2  0  0  0  0
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 13  4  1  0  0  0  0
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 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> (459)
1011

>  <Formula> (459)
C20H23BrN2O4

>  <MolWeight> (459)
435.31162

>  <Item Name> (459)
Brompheniramine

>  <Catalog Number> (459)
S2585

>  <Synonyms> (459)
N/A

>  <Target> (459)
Histamine Receptor

>  <Form> (459)
Maleate

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

>  <CAS Number> (459)
980-71-2

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/08251616502D

 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
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    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
 18 19  1  0  0  0  0
 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
 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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (460)
1012

>  <Formula> (460)
C24H26N2O4

>  <MolWeight> (460)
406.47424

>  <Item Name> (460)
Carvedilol

>  <Catalog Number> (460)
S1831

>  <Synonyms> (460)
Coreg, Dilatrend

>  <Target> (460)
Adrenergic Receptor

>  <Form> (460)
Free Base

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

>  <CAS Number> (460)
72956-09-3

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/08251616502D

 18 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.5463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    5.3561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3537    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    6.7537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4047    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9478    3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    3.3769    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
  4  9  1  0  0  0  0
  5 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
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (461)
1013

>  <Formula> (461)
C6H13Cl2N7O3

>  <MolWeight> (461)
302.11852

>  <Item Name> (461)
Amiloride hydrochloride dihydrate

>  <Catalog Number> (461)
S2560 

>  <Synonyms> (461)
MK-870

>  <Target> (461)
Sodium Channel

>  <Form> (461)
Free Base

>  <URL> (461)
http://www.selleckchem.com/products/amilorida.html

>  <CAS Number> (461)
17440-83-4

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/08251616502D

 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
    4.1413    4.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   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> (462)
1014

>  <Formula> (462)
C9H14ClNO2

>  <MolWeight> (462)
203.66596

>  <Item Name> (462)
Phenylephrine hydrochloride

>  <Catalog Number> (462)
S2569

>  <Synonyms> (462)
N/A

>  <Target> (462)
Adrenergic Receptor

>  <Form> (462)
Hydrochloride

>  <URL> (462)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (462)
61-76-7

$$$$
Medroxyprogesterone acetate.cdx
csChFnd80/08251616502D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    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
    4.8455    0.0000    0.0000 C   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
   10.6995    4.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    3.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0946    4.8195    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
 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> (463)
1015

>  <Formula> (463)
C24H34O4

>  <MolWeight> (463)
386.52436

>  <Item Name> (463)
Medroxyprogesterone acetate

>  <Catalog Number> (463)
S2567

>  <Synonyms> (463)
Medroxyprogesterone 17-acetate, MPA 

>  <Target> (463)
Estrogen/progestogen Receptor

>  <Form> (463)
Free Base

>  <URL> (463)
http://www.selleckchem.com/products/Medroxyprogesterone-acetate.html

>  <CAS Number> (463)
71-58-9

$$$$

csChFnd80/08251616502D

 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> (464)
1018

>  <Formula> (464)
C16H25ClN2O

>  <MolWeight> (464)
296.8355

>  <Item Name> (464)
Ropinirole HCl

>  <Catalog Number> (464)
S3189

>  <Synonyms> (464)
N/A 

>  <Target> (464)
Others

>  <Form> (464)
HCl

>  <URL> (464)
http://www.selleckchem.com/products/ropinirole-hydrochloride.html

>  <CAS Number> (464)
91374-20-8

$$$$
(+,-)-Octopamine hydrochloride.cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (465)
1019

>  <Formula> (465)
C8H12ClNO2

>  <MolWeight> (465)
189.63938

>  <Item Name> (465)
(+,-)-Octopamine HCl

>  <Catalog Number> (465)
S3188

>  <Synonyms> (465)
N/A 

>  <Target> (465)
Others

>  <Form> (465)
HCl

>  <URL> (465)
http://www.selleckchem.com/products/octopamine-hcl.html

>  <CAS Number> (465)
770-05-8

$$$$
Linagliptin.cdx
csChFnd80/08251616502D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (466)
1027

>  <Formula> (466)
C25H28N8O2

>  <MolWeight> (466)
472.54222

>  <Item Name> (466)
Linagliptin (BI-1356)

>  <Catalog Number> (466)
S3031 

>  <Synonyms> (466)
N/A 

>  <Target> (466)
DPP-4

>  <Form> (466)
Free Base

>  <URL> (466)
http://www.selleckchem.com/products/linagliptin-bi-1356.html

>  <CAS Number> (466)
668270-12-0

$$$$
Erdosteine.cdx
csChFnd80/08251616502D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (467)
1031

>  <Formula> (467)
C8H11NO4S2

>  <MolWeight> (467)
249.30724

>  <Item Name> (467)
Erdosteine

>  <Catalog Number> (467)
S1825

>  <Synonyms> (467)
N/A

>  <Target> (467)
Others

>  <Form> (467)
Free Base

>  <URL> (467)
http://www.selleckchem.com/products/erdosteine.html

>  <CAS Number> (467)
84611-23-4 

$$$$
Fenoprofen calcium.cdx
csChFnd80/08251616502D

 37 38  0  0  0  0  0  0  0  0999 V2000
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 14  3  1  0  0  0  0
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M  END
>  <Mol_ID> (468)
1032

>  <Formula> (468)
C30H26CaO6

>  <MolWeight> (468)
522.60184

>  <Item Name> (468)
Fenoprofen calcium

>  <Catalog Number> (468)
S1823 

>  <Synonyms> (468)
Nalfon

>  <Target> (468)
Others

>  <Form> (468)
Free Base

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

>  <CAS Number> (468)
34597-40-5 

$$$$
BENICAR (olmesartan medoxomil).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (469)
1033

>  <Formula> (469)
C29H30N6O6

>  <MolWeight> (469)
558.5851

>  <Item Name> (469)
Olmesartan medoxomil (Benicar)

>  <Catalog Number> (469)
S1604

>  <Synonyms> (469)
Olmetec 

>  <Target> (469)
RAAS

>  <Form> (469)
Free Base

>  <URL> (469)
http://www.selleckchem.com/products/olmesartan-medoxomil-Benicar.html

>  <CAS Number> (469)
144689-63-4

$$$$
Pramipexole.cdx
csChFnd80/08251616502D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  1  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
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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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    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 S   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
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (470)
1035

>  <Formula> (470)
C10H17N3S

>  <MolWeight> (470)
211.32708

>  <Item Name> (470)
Pramipexole (Mirapex)

>  <Catalog Number> (470)
S2460

>  <Synonyms> (470)
Mirapexin, Sifrol

>  <Target> (470)
Dopamine Receptor

>  <Form> (470)
Free Base

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

>  <CAS Number> (470)
104632-26-0

$$$$
Adenine hydrochloride.cdx
csChFnd80/08251616502D

 11 11  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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    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (471)
1040

>  <Formula> (471)
C5H6ClN5

>  <MolWeight> (471)
171.58764

>  <Item Name> (471)
Adenine hydrochloride

>  <Catalog Number> (471)
S1983

>  <Synonyms> (471)
N/A

>  <Target> (471)
DNA/RNA Synthesis

>  <Form> (471)
Hydrochloride

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

>  <CAS Number> (471)
2922-28-3 

$$$$
Benidipine hydrochloride.cdx
csChFnd80/08251616502D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (472)
1043

>  <Formula> (472)
C28H32ClN3O6

>  <MolWeight> (472)
542.02318

>  <Item Name> (472)
Benidipine hydrochloride

>  <Catalog Number> (472)
S2017

>  <Synonyms> (472)
N/A

>  <Target> (472)
calcium channel

>  <Form> (472)
Hydrochloride

>  <URL> (472)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (472)
91599-74-5

$$$$
Clorsulon.cdx
csChFnd80/08251616502D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (473)
1044

>  <Formula> (473)
C8H8Cl3N3O4S2

>  <MolWeight> (473)
380.65582

>  <Item Name> (473)
Clorsulon

>  <Catalog Number> (473)
S2613 

>  <Synonyms> (473)
N/A

>  <Target> (473)
Others

>  <Form> (473)
Free Base

>  <URL> (473)
http://www.selleckchem.com/products/clorsulon.html

>  <CAS Number> (473)
60200-06-8

$$$$
Fluticasone propionate.cdx
csChFnd80/08251616502D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (474)
1046

>  <Formula> (474)
C25H31F3O5S

>  <MolWeight> (474)
500.5708496

>  <Item Name> (474)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (474)
S1992

>  <Synonyms> (474)
N/A 

>  <Target> (474)
Others

>  <Form> (474)
Propionate 

>  <URL> (474)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (474)
80474-14-2

$$$$
Formoterol fumarate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (475)
1047

>  <Formula> (475)
C42H52N4O12

>  <MolWeight> (475)
804.88188

>  <Item Name> (475)
Formoterol hemifumarate

>  <Catalog Number> (475)
S2020

>  <Synonyms> (475)
N/A

>  <Target> (475)
Adrenergic Receptor

>  <Form> (475)
Fumarate

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

>  <CAS Number> (475)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/08251616502D

 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
    1.2570    1.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3515    0.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164    1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (476)
1048

>  <Formula> (476)
C23H23NO5S

>  <MolWeight> (476)
425.49742

>  <Item Name> (476)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (476)
S2024

>  <Synonyms> (476)
N/A 

>  <Target> (476)
Histamine Receptor

>  <Form> (476)
Fumarate 

>  <URL> (476)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (476)
34580-14-8

$$$$
Lacidipine.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (477)
1049

>  <Formula> (477)
C26H33NO6

>  <MolWeight> (477)
455.54332

>  <Item Name> (477)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (477)
S1994

>  <Synonyms> (477)
Lacipil, Motens

>  <Target> (477)
Calcium Channel 

>  <Form> (477)
Free Base

>  <URL> (477)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (477)
103890-78-4

$$$$
MIRTAZAPINE (mirtazapine).cdx
csChFnd80/08251616502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (478)
1051

>  <Formula> (478)
C17H19N3

>  <MolWeight> (478)
265.35286

>  <Item Name> (478)
Mirtazapine (Remeron, Avanza)

>  <Catalog Number> (478)
S2016

>  <Synonyms> (478)
N/A 

>  <Target> (478)
Others

>  <Form> (478)
Free Base

>  <URL> (478)
http://www.selleckchem.com/products/mirtazapine-remeron-avanza.html

>  <CAS Number> (478)
85650-52-8 

$$$$
Mometasone furoate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (479)
1052

>  <Formula> (479)
C27H30Cl2O6

>  <MolWeight> (479)
521.4295

>  <Item Name> (479)
Mometasone furoate

>  <Catalog Number> (479)
S1987

>  <Synonyms> (479)
N/A

>  <Target> (479)
Others

>  <Form> (479)
Furoate

>  <URL> (479)
http://www.selleckchem.com/products/mometasone-furoate.html

>  <CAS Number> (479)
83919-23-7

$$$$
Pidotimod.cdx
csChFnd80/08251616502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (480)
1055

>  <Formula> (480)
C9H12N2O4S

>  <MolWeight> (480)
244.26758

>  <Item Name> (480)
Pidotimod

>  <Catalog Number> (480)
S3106

>  <Synonyms> (480)
N/A 

>  <Target> (480)
Others

>  <Form> (480)
Free Base

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

>  <CAS Number> (480)
121808-62-6

$$$$
Pyridoxine hydrochloride.cdx
csChFnd80/08251616502D

 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
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    4.9000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (481)
1056

>  <Formula> (481)
C8H12ClNO3

>  <MolWeight> (481)
205.63878

>  <Item Name> (481)
Pyridoxine hydrochloride

>  <Catalog Number> (481)
S3113

>  <Synonyms> (481)
N/A 

>  <Target> (481)
Others

>  <Form> (481)
Hydrochloride

>  <URL> (481)
http://www.selleckchem.com/products/pyridoxine-hydrochloride.html

>  <CAS Number> (481)
58-56-0

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/08251616502D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (482)
1057

>  <Formula> (482)
C15H25ClN2O2

>  <MolWeight> (482)
300.8242

>  <Item Name> (482)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (482)
S2573 

>  <Synonyms> (482)
N/A 

>  <Target> (482)
Calcium Channel

>  <Form> (482)
Hydrochloride 

>  <URL> (482)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (482)
136-47-0

$$$$
Urapidil hydrochloride.cdx
csChFnd80/08251616502D

 29 30  0  0  0  0  0  0  0  0999 V2000
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   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> (483)
1060

>  <Formula> (483)
C20H30ClN5O3

>  <MolWeight> (483)
423.9369

>  <Item Name> (483)
Urapidil hydrochloride

>  <Catalog Number> (483)
S2025

>  <Synonyms> (483)
N/A

>  <Target> (483)
5-HT Receptor

>  <Form> (483)
Hydrochloride

>  <URL> (483)
http://www.selleckchem.com/products/urapidil-hydrochloride.html

>  <CAS Number> (483)
64887-14-5

$$$$
Albendazole oxide.cdx
csChFnd80/08251616502D

 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> (484)
1061

>  <Formula> (484)
C12H15N3O3S

>  <MolWeight> (484)
281.3308

>  <Item Name> (484)
Albendazole Oxide (Ricobendazole)

>  <Catalog Number> (484)
S1836

>  <Synonyms> (484)
N/A 

>  <Target> (484)
Others

>  <Form> (484)
Free Base

>  <URL> (484)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

>  <CAS Number> (484)
54029-12-8

$$$$
Alibendol.cdx
csChFnd80/08251616502D

 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> (485)
1062

>  <Formula> (485)
C13H17NO4

>  <MolWeight> (485)
251.27838

>  <Item Name> (485)
Alibendol

>  <Catalog Number> (485)
S1928

>  <Synonyms> (485)
N/A

>  <Target> (485)
Others

>  <Form> (485)
Free Base

>  <URL> (485)
http://www.selleckchem.com/products/alibendol.html

>  <CAS Number> (485)
26750-81-2

$$$$
Aspartame.cdx
csChFnd80/08251616502D

 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
    4.8582    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (486)
1063

>  <Formula> (486)
C14H18N2O5

>  <MolWeight> (486)
294.30312

>  <Item Name> (486)
Aspartame

>  <Catalog Number> (486)
S2036

>  <Synonyms> (486)
Nutrasweet

>  <Target> (486)
Others

>  <Form> (486)
Free Base

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

>  <CAS Number> (486)
22839-47-0

$$$$
Bifonazole.cdx
csChFnd80/08251616502D

 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
    4.3331    8.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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 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> (487)
1064

>  <Formula> (487)
C22H18N2

>  <MolWeight> (487)
310.39172

>  <Item Name> (487)
Bifonazole

>  <Catalog Number> (487)
S1854

>  <Synonyms> (487)
N/A

>  <Form> (487)
Free Base

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

>  <CAS Number> (487)
60628-96-8

$$$$
Butoconazole nitrate.cdx
csChFnd80/08251616502D

 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
    8.4828    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6953    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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M  END
>  <Mol_ID> (488)
1065

>  <Formula> (488)
C19H18Cl3N3O3S

>  <MolWeight> (488)
474.78852

>  <Item Name> (488)
Butoconazole nitrate

>  <Catalog Number> (488)
S1833

>  <Synonyms> (488)
N/A

>  <Target> (488)
Others

>  <Form> (488)
Nitrate

>  <URL> (488)
http://www.selleckchem.com/products/butoconazole-nitrate.html

>  <CAS Number> (488)
64872-77-1

$$$$
Epalrestat.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (489)
1067

>  <Formula> (489)
C15H13NO3S2

>  <MolWeight> (489)
319.39862

>  <Item Name> (489)
Epalrestat

>  <Catalog Number> (489)
S2035 

>  <Synonyms> (489)
N/A

>  <Target> (489)
Others

>  <Form> (489)
Free Base

>  <URL> (489)
http://www.selleckchem.com/products/epalrestat.html

>  <CAS Number> (489)
82159-09-9

$$$$
Ganciclovir.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (490)
1069

>  <Formula> (490)
C9H13N5O4

>  <MolWeight> (490)
255.23062

>  <Item Name> (490)
Ganciclovir

>  <Catalog Number> (490)
S1878

>  <Synonyms> (490)
Cytovene

>  <Target> (490)
Others

>  <Form> (490)
Free Base

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

>  <CAS Number> (490)
82410-32-0

$$$$
Phentolamine mesilate.cdx
csChFnd80/08251616502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (491)
1071

>  <Formula> (491)
C18H23N3O4S

>  <MolWeight> (491)
377.45792

>  <Item Name> (491)
Phentolamine Mesylate 

>  <Catalog Number> (491)
S2038

>  <Synonyms> (491)
Regitine

>  <Target> (491)
adrenergic receptor

>  <Form> (491)
Mesylate 

>  <URL> (491)
http://www.selleckchem.com/products/phentolamine-mesilate.html

>  <CAS Number> (491)
65-28-1

$$$$
Sulphadimethoxine.cdx
csChFnd80/08251616502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (492)
1073

>  <Formula> (492)
C12H14N4O4S

>  <MolWeight> (492)
310.32896

>  <Item Name> (492)
Sulphadimethoxine

>  <Catalog Number> (492)
S1962

>  <Synonyms> (492)
Di-Methox, Albon

>  <Target> (492)
Others

>  <Form> (492)
Free Base

>  <URL> (492)
http://www.selleckchem.com/products/sulphadimethoxine.html

>  <CAS Number> (492)
122-11-2

$$$$
Uridine.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (493)
1075

>  <Formula> (493)
C9H12N2O6

>  <MolWeight> (493)
244.20138

>  <Item Name> (493)
Uridine

>  <Catalog Number> (493)
S2029

>  <Synonyms> (493)
N/A

>  <Target> (493)
DNA/RNA Synthesis

>  <Form> (493)
Free Base

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

>  <CAS Number> (493)
58-96-8

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/08251616502D

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   16.7262    0.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2134    2.2982    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.1502    3.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0807    4.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7921    2.4814    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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 10 12  2  0  0  0  0
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M  END
>  <Mol_ID> (494)
1076

>  <Formula> (494)
C18H28N2O7

>  <MolWeight> (494)
384.42412

>  <Item Name> (494)
Enalaprilat dihydrate

>  <Catalog Number> (494)
S1657

>  <Synonyms> (494)
N/A

>  <Target> (494)
RAAS

>  <Form> (494)
Dihydrate

>  <URL> (494)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (494)
84680-54-6 

$$$$
Cefoperazone acid.cdx
csChFnd80/08251616502D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (495)
1077

>  <Formula> (495)
C25H27N9O8S2

>  <MolWeight> (495)
645.66738

>  <Item Name> (495)
Cefoperazone (Cefobid)

>  <Catalog Number> (495)
S1611

>  <Synonyms> (495)
N/A 

>  <Target> (495)
Others

>  <Form> (495)
Free Base

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

>  <CAS Number> (495)
62893-19-0

$$$$
Acemetacin.cdx
csChFnd80/08251616502D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.6139    8.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3139    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (496)
1078

>  <Formula> (496)
C21H18ClNO6

>  <MolWeight> (496)
415.82372

>  <Item Name> (496)
Acemetacin (Emflex)

>  <Catalog Number> (496)
S2602

>  <Synonyms> (496)
N/A 

>  <Target> (496)
Others

>  <Form> (496)
Free Base

>  <URL> (496)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (496)
53164-05-9

$$$$
NATACYN (natamycin).cdx
csChFnd80/08251616502D

 50 53  0  0  0  0  0  0  0  0999 V2000
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 31 36  1  6  0  0  0
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 48 13  1  0  0  0  0
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 30 50  1  6  0  0  0
 50 31  1  0  0  0  0
M  END
>  <Mol_ID> (497)
1079

>  <Formula> (497)
C33H47NO13

>  <MolWeight> (497)
665.72518

>  <Item Name> (497)
Natamycin

>  <Catalog Number> (497)
S1517

>  <Synonyms> (497)
Pimaricin

>  <Target> (497)
Others

>  <Form> (497)
Free Base

>  <URL> (497)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

>  <CAS Number> (497)
7681-93-8

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (498)
1080

>  <Formula> (498)
C47H75NO17

>  <MolWeight> (498)
926.0949

>  <Item Name> (498)
Nystatin (Fungicidin)

>  <Catalog Number> (498)
S1934

>  <Synonyms> (498)
N/A

>  <Target> (498)
Others

>  <Form> (498)
Free Base

>  <URL> (498)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (498)
1400-61-9

$$$$
Buflomedil hydrochloride.cdx
csChFnd80/08251616502D

 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
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (499)
1081

>  <Formula> (499)
C17H26ClNO4

>  <MolWeight> (499)
343.84564

>  <Item Name> (499)
Buflomedil HCl

>  <Catalog Number> (499)
S2607

>  <Synonyms> (499)
N/A

>  <Target> (499)
Others

>  <Form> (499)
Hydrochloride

>  <URL> (499)
http://www.selleckchem.com/products/auflomedil-hcl.html

>  <CAS Number> (499)
35543-24-9

$$$$
Clindamycin palmitate hydrochloride.cdx
csChFnd80/08251616502D

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 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (500)
1082

>  <Formula> (500)
C34H64Cl2N2O6S

>  <MolWeight> (500)
699.85276

>  <Item Name> (500)
Clindamycin palmitate HCl

>  <Catalog Number> (500)
S2596

>  <Synonyms> (500)
N/A

>  <Target> (500)
Others

>  <Form> (500)
Hydrochloride

>  <URL> (500)
http://www.selleckchem.com/products/clindamycin-palmitate-hcl.html

>  <CAS Number> (500)
25507-04-4 

$$$$
Clobetasol propionate.cdx
csChFnd80/08251616502D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   10.6372    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2392    5.3326    0.0000 Cl  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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  8  9  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 11 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
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 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 16 24  1  1  0  0  0
 14 25  1  6  0  0  0
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 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> (501)
1083

>  <Formula> (501)
C25H32ClFO5

>  <MolWeight> (501)
466.9699832

>  <Item Name> (501)
Clobetasol propionate

>  <Catalog Number> (501)
S2584

>  <Synonyms> (501)
N/A

>  <Target> (501)
Others

>  <Form> (501)
Propionate

>  <URL> (501)
http://www.selleckchem.com/products/clobetasol-propionate.html

>  <CAS Number> (501)
25122-46-7

$$$$
Lonidamine.cdx
csChFnd80/08251616502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    4.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1875    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8583    5.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2909    6.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542    7.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847    7.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    3.8786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6556    7.1180    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  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
 12 13  1  0  0  0  0
 12 14  2  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
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 19 11  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (502)
1086

>  <Formula> (502)
C15H10Cl2N2O2

>  <MolWeight> (502)
321.1581

>  <Item Name> (502)
Lonidamine

>  <Catalog Number> (502)
S2610

>  <Synonyms> (502)
N/A

>  <Target> (502)
Others

>  <Form> (502)
Free Base

>  <URL> (502)
http://www.selleckchem.com/products/lonidamine.html

>  <CAS Number> (502)
50264-69-2

$$$$
L-Thyroxine.cdx
csChFnd80/08251616502D

 24 25  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
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    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 20 24  1  1  0  0  0
M  END
>  <Mol_ID> (503)
1087

>  <Formula> (503)
C15H11I4NO4

>  <MolWeight> (503)
776.87002

>  <Item Name> (503)
L-Thyroxine

>  <Catalog Number> (503)
S2599

>  <Synonyms> (503)
N/A

>  <Target> (503)
Others

>  <Form> (503)
Free Base

>  <URL> (503)
http://www.selleckchem.com/products/l-thyroxine.html

>  <CAS Number> (503)
51-48-9

$$$$
Miglitol.cdx
csChFnd80/08251616502D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.0951    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
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  4 10  1  1  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (504)
1088

>  <Formula> (504)
C8H17NO5

>  <MolWeight> (504)
207.22428

>  <Item Name> (504)
Miglitol (Glyset)

>  <Catalog Number> (504)
S2589

>  <Synonyms> (504)
N/A 

>  <Target> (504)
Others

>  <Form> (504)
Free Base

>  <URL> (504)
http://www.selleckchem.com/products/miglitol-glyset.html

>  <CAS Number> (504)
72432-03-2

$$$$
Phenacetin.cdx
csChFnd80/08251616502D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    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
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 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (505)
1090

>  <Formula> (505)
C10H13NO2

>  <MolWeight> (505)
179.21572

>  <Item Name> (505)
Phenacetin

>  <Catalog Number> (505)
S2577

>  <Synonyms> (505)
N/A

>  <Target> (505)
COX

>  <Form> (505)
Free Base

>  <URL> (505)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (505)
62-44-2

$$$$
Pioglitazone.cdx
csChFnd80/08251616502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (506)
1091

>  <Formula> (506)
C19H20N2O3S

>  <MolWeight> (506)
356.4387

>  <Item Name> (506)
Pioglitazone (Actos)

>  <Catalog Number> (506)
S2590

>  <Synonyms> (506)
N/A 

>  <Target> (506)
Others

>  <Form> (506)
Free Base

>  <URL> (506)
http://www.selleckchem.com/products/pioglitazone-actos.html

>  <CAS Number> (506)
111025-46-8

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (507)
1093

>  <Formula> (507)
C22H25ClN2O8

>  <MolWeight> (507)
480.8955

>  <Item Name> (507)
Tetracycline hydrochloride

>  <Catalog Number> (507)
S2574 

>  <Synonyms> (507)
N/A

>  <Target> (507)
Others

>  <Form> (507)
Hydrochloride

>  <URL> (507)
http://www.selleckchem.com/products/tetracycline-hydrochloride.html

>  <CAS Number> (507)
64-75-5

$$$$
Thiamphenicol.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (508)
1094

>  <Formula> (508)
C12H15Cl2NO5S

>  <MolWeight> (508)
356.2222

>  <Item Name> (508)
Thiamphenicol (Thiophenicol)

>  <Catalog Number> (508)
S2583

>  <Synonyms> (508)
N/A 

>  <Target> (508)
Others

>  <Form> (508)
Free Base

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

>  <CAS Number> (508)
15318-45-3

$$$$
Tolfenamic acid.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (509)
1095

>  <Formula> (509)
C14H12ClNO2

>  <MolWeight> (509)
261.70358

>  <Item Name> (509)
Tolfenamic acid

>  <Catalog Number> (509)
S1959

>  <Synonyms> (509)
N/A

>  <Target> (509)
Others

>  <Form> (509)
Free Base

>  <URL> (509)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (509)
13710-19-5

$$$$
Tolvaptan.cdx
csChFnd80/08251616502D

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 28 31  1  0  0  0  0
 24 32  1  0  0  0  0
M  END
>  <Mol_ID> (510)
1096

>  <Formula> (510)
C26H25ClN2O3

>  <MolWeight> (510)
448.9413

>  <Item Name> (510)
Tolvaptan (OPC-41061)

>  <Catalog Number> (510)
S2593

>  <Synonyms> (510)
Samsca 

>  <Target> (510)
Estrogen/progestogen Receptor

>  <Form> (510)
Free Base

>  <URL> (510)
http://www.selleckchem.com/products/tolvaptan-opc-41061.html

>  <CAS Number> (510)
150683-30-0

$$$$
Zidovudine.cdx
csChFnd80/08251616502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (511)
1097

>  <Formula> (511)
C10H13N5O4

>  <MolWeight> (511)
267.24132

>  <Item Name> (511)
Zidovudine (Retrovir)

>  <Catalog Number> (511)
S2579

>  <Synonyms> (511)
azidothymidine

>  <Target> (511)
Others

>  <Form> (511)
Free Base

>  <URL> (511)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (511)
30516-87-1

$$$$
10-DAB.cdx
csChFnd80/08251616502D

 41 45  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
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8  4  1  0  0  0  0
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 12 13  1  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
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 17 13  1  0  0  0  0
 12 24  2  0  0  0  0
 13 25  1  1  0  0  0
 15 26  1  1  0  0  0
  2 27  1  6  0  0  0
 19 28  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
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 14 30  1  6  0  0  0
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M  END
>  <Mol_ID> (512)
1098

>  <Formula> (512)
C29H36O10

>  <MolWeight> (512)
544.59014

>  <Item Name> (512)
10-DAB (10-Deacetylbaccatin)

>  <Catalog Number> (512)
S2409

>  <Synonyms> (512)
N/A 

>  <Target> (512)
Others

>  <Form> (512)
Free Base

>  <URL> (512)
http://www.selleckchem.com/products/10-dab-10-deacetylbaccatin.html

>  <CAS Number> (512)
32981-86-5

$$$$
Cephalomannine.cdx
csChFnd80/08251616502D

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (513)
1099

>  <Formula> (513)
C45H53NO14

>  <MolWeight> (513)
831.90062

>  <Item Name> (513)
Cephalomannine

>  <Catalog Number> (513)
S2408

>  <Synonyms> (513)
N/A

>  <Target> (513)
Others

>  <Form> (513)
Free Base

>  <URL> (513)
http://www.selleckchem.com/products/cephalomannine.html

>  <CAS Number> (513)
71610-00-9

$$$$
Genipin.cdx
csChFnd80/08251616502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (514)
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>  <Formula> (514)
C11H14O5

>  <MolWeight> (514)
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>  <Item Name> (514)
Genipin

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S2412

>  <Synonyms> (514)
N/A

>  <Target> (514)
Others

>  <Form> (514)
Free Base

>  <URL> (514)
http://www.selleckchem.com/products/genipin.html

>  <CAS Number> (514)
6902-77-8

$$$$
Geniposide.cdx
csChFnd80/08251616502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (515)
1101

>  <Formula> (515)
C17H24O10

>  <MolWeight> (515)
388.36646

>  <Item Name> (515)
Geniposide

>  <Catalog Number> (515)
S2411

>  <Synonyms> (515)
N/A

>  <Target> (515)
Others

>  <Form> (515)
Free Base

>  <URL> (515)
http://www.selleckchem.com/products/geniposide.html

>  <CAS Number> (515)
24512-63-8

$$$$
Geniposidic acid.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (516)
1102

>  <Formula> (516)
C16H22O10

>  <MolWeight> (516)
374.33988

>  <Item Name> (516)
Geniposidic acid

>  <Catalog Number> (516)
S2413

>  <Synonyms> (516)
N/A

>  <Target> (516)
Others

>  <Form> (516)
Free Base

>  <URL> (516)
http://www.selleckchem.com/products/geniposidic-acid.html

>  <CAS Number> (516)
27741-01-1

$$$$
Gliclazide.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (517)
1103

>  <Formula> (517)
C15H21N3O3S

>  <MolWeight> (517)
323.41054

>  <Item Name> (517)
Gliclazide (Diamicron)

>  <Catalog Number> (517)
S2601 

>  <Synonyms> (517)
N/A 

>  <Target> (517)
Others

>  <Form> (517)
Free Base

>  <URL> (517)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (517)
21187-98-4

$$$$
Idebenone.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (518)
1104

>  <Formula> (518)
C19H30O5

>  <MolWeight> (518)
338.4385

>  <Item Name> (518)
Idebenone

>  <Catalog Number> (518)
S2605 

>  <Synonyms> (518)
N/A

>  <Target> (518)
Others

>  <Form> (518)
Free Base

>  <URL> (518)
http://www.selleckchem.com/products/idebenone.html

>  <CAS Number> (518)
58186-27-9

$$$$
Paeoniflorin.cdx
csChFnd80/08251616502D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (519)
1105

>  <Formula> (519)
C23H28O11

>  <MolWeight> (519)
480.46182

>  <Item Name> (519)
Paeoniflorin

>  <Catalog Number> (519)
S2410

>  <Synonyms> (519)
N/A

>  <Target> (519)
Others

>  <Form> (519)
Free Base

>  <URL> (519)
http://www.selleckchem.com/products/paeoniflorin.html

>  <CAS Number> (519)
23180-57-6 

$$$$
Quinapril hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (520)
1106

>  <Formula> (520)
C25H31ClN2O5

>  <MolWeight> (520)
474.97704

>  <Item Name> (520)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (520)
S2581

>  <Synonyms> (520)
N/A 

>  <Target> (520)
RAAS

>  <Form> (520)
Hydrochloride

>  <URL> (520)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (520)
82586-55-8

$$$$
Scopine.cdx
csChFnd80/08251616502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (521)
1108

>  <Formula> (521)
C8H13NO2

>  <MolWeight> (521)
155.19432

>  <Item Name> (521)
Scopine

>  <Catalog Number> (521)
S2545

>  <Synonyms> (521)
N/A

>  <Target> (521)
Others

>  <Form> (521)
Free Base

>  <URL> (521)
http://www.selleckchem.com/products/scopine.html

>  <CAS Number> (521)
498-45-3

$$$$
Atracurium besylate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (522)
1109

>  <Formula> (522)
C65H82N2O18S2

>  <MolWeight> (522)
1243.47918

>  <Item Name> (522)
Atracurium besylate

>  <Catalog Number> (522)
S1832

>  <Synonyms> (522)
N/A

>  <Target> (522)
Others

>  <Form> (522)
Besylate

>  <URL> (522)
http://www.selleckchem.com/products/atracurium-besylate.html

>  <CAS Number> (522)
64228-81-5

$$$$
Captopril.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (523)
1110

>  <Formula> (523)
C9H15NO3S

>  <MolWeight> (523)
217.2853

>  <Item Name> (523)
Captopril (Capoten)

>  <Catalog Number> (523)
S2051

>  <Synonyms> (523)
N/A 

>  <Target> (523)
RAAS

>  <Form> (523)
Free Base

>  <URL> (523)
http://www.selleckchem.com/products/captopril-capoten.html

>  <CAS Number> (523)
62571-86-2

$$$$
Cyproheptadine hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (524)
1112

>  <Formula> (524)
C21H22ClN

>  <MolWeight> (524)
323.85908

>  <Item Name> (524)
Cyproheptadine hydrochloride (Periactin)

>  <Catalog Number> (524)
S2044

>  <Synonyms> (524)
N/A 

>  <Target> (524)
Histamine Receptor

>  <Form> (524)
Hydrochloride

>  <URL> (524)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride-periactin.html

>  <CAS Number> (524)
969-33-5 

$$$$
Cytidine.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (525)
1114

>  <Formula> (525)
C9H13N3O5

>  <MolWeight> (525)
243.21662

>  <Item Name> (525)
Cytidine

>  <Catalog Number> (525)
S2053

>  <Synonyms> (525)
N/A

>  <Target> (525)
Others

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/cytidine.html

>  <CAS Number> (525)
65-46-3

$$$$
Doxifluridine.cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (526)
1115

>  <Formula> (526)
C9H11FN2O5

>  <MolWeight> (526)
246.1924432

>  <Item Name> (526)
Doxifluridine

>  <Catalog Number> (526)
S2045

>  <Synonyms> (526)
N/A

>  <Target> (526)
Others

>  <Form> (526)
Free Base

>  <URL> (526)
http://www.selleckchem.com/products/doxifluridine.html

>  <CAS Number> (526)
3094-09-5

$$$$
Gimeracil.cdx
csChFnd80/08251616502D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (527)
1117

>  <Formula> (527)
C5H4ClNO2

>  <MolWeight> (527)
145.54376

>  <Item Name> (527)
Gimeracil

>  <Catalog Number> (527)
S2055

>  <Synonyms> (527)
N/A

>  <Target> (527)
Dehydrogenase

>  <Form> (527)
Free Base

>  <URL> (527)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (527)
103766-25-2

$$$$
Lornoxicam.cdx
csChFnd80/08251616502D

 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
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    0.0000    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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 13  2  2  0  0  0  0
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 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> (528)
1118

>  <Formula> (528)
C13H10ClN3O4S2

>  <MolWeight> (528)
371.8192

>  <Item Name> (528)
Lornoxicam (Xefo)

>  <Catalog Number> (528)
S2047

>  <Synonyms> (528)
N/A 

>  <Target> (528)
Others

>  <Form> (528)
Free Base

>  <URL> (528)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (528)
70374-39-9

$$$$
Memantine HCl.cdx
csChFnd80/08251616502D

 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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    1.9937    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5600    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (529)
1119

>  <Formula> (529)
C12H22ClN

>  <MolWeight> (529)
215.76278

>  <Item Name> (529)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (529)
S2043

>  <Synonyms> (529)
N/A 

>  <Target> (529)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (529)
Hydrochloride

>  <URL> (529)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (529)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/08251616502D

 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
   21.9027    5.4707    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6903    4.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5443    4.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  2  0  0  0  0
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 45 47  1  0  0  0  0
 42 48  1  0  0  0  0
M  END
>  <Mol_ID> (530)
1120

>  <Formula> (530)
C34H56N2O12

>  <MolWeight> (530)
684.81464

>  <Item Name> (530)
Metoprolol tartrate

>  <Catalog Number> (530)
S1856

>  <Synonyms> (530)
N/A

>  <Target> (530)
Adrenergic Receptor

>  <Form> (530)
Tartrate

>  <URL> (530)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (530)
392-17-7

$$$$
Nimesulide.cdx
csChFnd80/08251616502D

 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
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  6  7  1  0  0  0  0
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 10 11  2  0  0  0  0
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 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> (531)
1121

>  <Formula> (531)
C13H12N2O5S

>  <MolWeight> (531)
308.30978

>  <Item Name> (531)
Nimesulide

>  <Catalog Number> (531)
S2040

>  <Synonyms> (531)
N/A

>  <Target> (531)
Others

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (531)
51803-78-2

$$$$
Noradrenaline bitartrate.cdx
csChFnd80/08251616502D

 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
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    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
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 18 24  1  6  0  0  0
 16 25  1  6  0  0  0
M  END
>  <Mol_ID> (532)
1122

>  <Formula> (532)
C12H19NO10

>  <MolWeight> (532)
337.27996

>  <Item Name> (532)
Noradrenaline bitartrate monohydrate (Levoph

>  <Catalog Number> (532)
S2615

>  <Synonyms> (532)
N/A 

>  <Target> (532)
Others

>  <Form> (532)
Monohydrate

>  <URL> (532)
http://www.selleckchem.com/products/noradrenaline-bitartrate-monohydrate-levophed.html

>  <CAS Number> (532)
108341-18-0

$$$$
Orphenadrine citrate.cdx
csChFnd80/08251616502D

 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
    3.6500    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8624    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    7.0146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    6.3146    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
    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
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   11.7719    4.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14  1  1  0  0  0  0
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 19  4  1  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 24 33  1  0  0  0  0
M  END
>  <Mol_ID> (533)
1123

>  <Formula> (533)
C24H31NO8

>  <MolWeight> (533)
461.50484

>  <Item Name> (533)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (533)
S2054

>  <Synonyms> (533)
N/A 

>  <Target> (533)
AChR

>  <Form> (533)
Citrate

>  <URL> (533)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (533)
4682-36-4

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/08251616502D

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.7229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    6.7229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1159    4.6229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
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 12 35  1  6  0  0  0
M  END
>  <Mol_ID> (534)
1124

>  <Formula> (534)
C22H28N2O11

>  <MolWeight> (534)
496.46452

>  <Item Name> (534)
Oxytetracycline dihydrate

>  <Catalog Number> (534)
S2052 

>  <Synonyms> (534)
N/A

>  <Target> (534)
Others

>  <Form> (534)
Dihydrate

>  <URL> (534)
http://www.selleckchem.com/products/oxytetracycline-dihydrate.html

>  <CAS Number> (534)
6153-64-6

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/08251616502D

 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
    2.4165    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6619    3.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0313    2.8666    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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  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 17 12  1  0  0  0  0
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 23 19  1  0  0  0  0
 22 24  2  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (535)
1125

>  <Formula> (535)
C19H21ClN2O3S

>  <MolWeight> (535)
392.89964

>  <Item Name> (535)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (535)
S2046

>  <Synonyms> (535)
N/A 

>  <Target> (535)
Others

>  <Form> (535)
Hydrochloride

>  <URL> (535)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (535)
112529-15-4

$$$$
Pramiracetam.cdx
csChFnd80/08251616502D

 19 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
    3.6719    4.2544    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
    4.8802    3.5568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3050    3.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    4.2568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3092    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  1 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 18  1  0  0  0  0
 18 14  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (536)
1126

>  <Formula> (536)
C14H27N3O2

>  <MolWeight> (536)
269.38308

>  <Item Name> (536)
Pramiracetam

>  <Catalog Number> (536)
S2594

>  <Synonyms> (536)
N/A

>  <Target> (536)
Others

>  <Form> (536)
Free Base

>  <URL> (536)
http://www.selleckchem.com/products/pramiracetam.html

>  <CAS Number> (536)
68497-62-1

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/08251616502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.6280    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280    5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    4.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1062    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 10 17  1  0  0  0  0
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M  END
>  <Mol_ID> (537)
1128

>  <Formula> (537)
C16H13Cl3N2OS

>  <MolWeight> (537)
387.71122

>  <Item Name> (537)
Tioconazole

>  <Catalog Number> (537)
S1910

>  <Synonyms> (537)
N/A

>  <Target> (537)
Others

>  <Form> (537)
Free Base

>  <URL> (537)
http://www.selleckchem.com/products/tioconazole.html

>  <CAS Number> (537)
65899-73-2

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/08251616502D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.4750    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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  2  8  1  0  0  0  0
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 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (538)
1129

>  <Formula> (538)
C13H21ClN6O4

>  <MolWeight> (538)
360.79664

>  <Item Name> (538)
Valaciclovir HCl

>  <Catalog Number> (538)
S1876

>  <Synonyms> (538)
N/A

>  <Target> (538)
Others

>  <Form> (538)
Hydrochloride

>  <URL> (538)
http://www.selleckchem.com/products/valaciclovir-hcl.html

>  <CAS Number> (538)
124832-27-5 

$$$$
Acetylcholine chloride.cdx
csChFnd80/08251616502D

 11  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2788    0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    2.9503    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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  2 10  2  0  0  0  0
M  END
>  <Mol_ID> (539)
1137

>  <Formula> (539)
C7H16ClNO2

>  <MolWeight> (539)
181.66044

>  <Item Name> (539)
Acetylcholine chloride

>  <Catalog Number> (539)
S1805

>  <Synonyms> (539)
N/A

>  <Form> (539)
Chloride

>  <URL> (539)
http://www.selleckchem.com/products/Acetylcholine-chloride.html

>  <CAS Number> (539)
60-31-1 

$$$$
PENETREX (enoxacin).cdx
csChFnd80/08251616502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1976    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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 16  5  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (540)
1138

>  <Formula> (540)
C15H17FN4O3

>  <MolWeight> (540)
320.3188832

>  <Item Name> (540)
Enoxacin (Penetrex)

>  <Catalog Number> (540)
S1756

>  <Synonyms> (540)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

>  <Target> (540)
Others

>  <Form> (540)
Free Base

>  <URL> (540)
http://www.selleckchem.com/products/Enoxacin(Penetrex).html

>  <CAS Number> (540)
74011-58-8

$$$$
CAPITAL SOLEIL 15 (avobenzone ).cdx
csChFnd80/08251616502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  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
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 11 14  2  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (541)
1139

>  <Formula> (541)
C20H22O3

>  <MolWeight> (541)
310.38688

>  <Item Name> (541)
Avobenzone (Parsol 1789)

>  <Catalog Number> (541)
S1904

>  <Synonyms> (541)
Eusolex 9020, Escalol 517, Parsol 1789 

>  <Target> (541)
Others

>  <Form> (541)
Free Base

>  <URL> (541)
http://www.selleckchem.com/products/Avobenzone(Parsol-1789).html

>  <CAS Number> (541)
70356-09-1

$$$$
Lapatinib freebase.cdx
csChFnd80/08251616502D

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   12.5194    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3069    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7318    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9442    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (542)
1147

>  <Formula> (542)
C29H26ClFN4O4S

>  <MolWeight> (542)
581.0575432

>  <Item Name> (542)
Lapatinib

>  <Catalog Number> (542)
S2111

>  <Synonyms> (542)
N/A

>  <Target> (542)
EGFR, HER2

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/lapatinib.html

>  <CAS Number> (542)
231277-92-2

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (543)
1153

>  <Formula> (543)
C25H30ClI2NO3

>  <MolWeight> (543)
681.77254

>  <Item Name> (543)
Amiodarone HCl

>  <Catalog Number> (543)
S1979 

>  <Synonyms> (543)
N/A

>  <Target> (543)
Potassium Channel

>  <Form> (543)
Hydrochloride

>  <URL> (543)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (543)
19774-82-4

$$$$
Pefloxacine mesylate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (544)
1154

>  <Formula> (544)
C18H24FN3O6S

>  <MolWeight> (544)
429.4630632

>  <Item Name> (544)
Pefloxacin mesylate

>  <Catalog Number> (544)
S1855 

>  <Synonyms> (544)
N/A

>  <Target> (544)
Others

>  <Form> (544)
Mesylate

>  <URL> (544)
http://www.selleckchem.com/products/pefloxacin-mesylate.html

>  <CAS Number> (544)
70458-95-6

$$$$
Ciclopirox ethanolamine.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (545)
1194

>  <Formula> (545)
C14H24N2O3

>  <MolWeight> (545)
268.35196

>  <Item Name> (545)
Ciclopirox ethanolamine

>  <Catalog Number> (545)
S3019 

>  <Synonyms> (545)
N/A

>  <Target> (545)
ATPase

>  <Form> (545)
Ethanolamine

>  <URL> (545)
http://www.selleckchem.com/products/ciclopirox-ethanolamine.html

>  <CAS Number> (545)
41621-49-2

$$$$
Rimonabant.cdx
csChFnd80/08251616502D

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Cannabinoid Receptor 

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>  <CAS Number> (546)
168273-06-1

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XRP-6258 

>  <Target> (547)
Others

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Free Base

>  <URL> (547)
http://www.selleckchem.com/products/cabazitaxel-jevtana.html

>  <CAS Number> (547)
183133-96-2

$$$$
Bufexamac.cdx
csChFnd80/08251616502D

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>  <Formula> (548)
C12H17NO3

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HDAC 

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Free Base

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

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2438-72-4

$$$$
Lamotrigine.cdx
csChFnd80/08251616502D

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Sodium Channel 

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Free Base

>  <URL> (549)
http://www.selleckchem.com/products/lamotrigine.html

>  <CAS Number> (549)
84057-84-1

$$$$
PMSF.cdx
csChFnd80/08251616502D

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329-98-6

$$$$
Bindarit.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (551)
1209

>  <Formula> (551)
C19H20N2O3

>  <MolWeight> (551)
324.3737

>  <Item Name> (551)
Bindarit

>  <Catalog Number> (551)
S3032 

>  <Synonyms> (551)
N/A 

>  <Target> (551)
Others

>  <Form> (551)
Free Base

>  <URL> (551)
http://www.selleckchem.com/products/bindarit.html

>  <CAS Number> (551)
130641-38-2

$$$$
Aminoglutethimide .cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (552)
1212

>  <Formula> (552)
C13H16N2O2

>  <MolWeight> (552)
232.27834

>  <Item Name> (552)
Aminoglutethimide (Cytadren)

>  <Catalog Number> (552)
S1672

>  <Synonyms> (552)
N/A

>  <Target> (552)
Aromatase

>  <Form> (552)
Free Base

>  <URL> (552)
http://www.selleckchem.com/products/Aminoglutethimide(Cytadren).html

>  <CAS Number> (552)
125-84-8

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/08251616502D

 53 58  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (553)
1213

>  <Formula> (553)
C41H42N4O8

>  <MolWeight> (553)
718.79418

>  <Item Name> (553)
Verteporfin (Visudyne)

>  <Catalog Number> (553)
S1786

>  <Synonyms> (553)
Visudyne

>  <Target> (553)
5-alpha Reductase 

>  <Form> (553)
Free Base

>  <URL> (553)
http://www.selleckchem.com/products/Verteporfin(Visudyne).html

>  <CAS Number> (553)
129497-78-5

$$$$
Atazanavir Sulfate.cdx
csChFnd80/08251616502D

 56 57  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (554)
1214

>  <Formula> (554)
C38H54N6O11S

>  <MolWeight> (554)
802.93396

>  <Item Name> (554)
Atazanavir sulfate

>  <Catalog Number> (554)
S1457

>  <Synonyms> (554)
BMS-232632-05, Reyataz 

>  <Target> (554)
HIV Protease

>  <Form> (554)
Sulfate

>  <URL> (554)
http://www.selleckchem.com/products/Atazanavir.html

>  <CAS Number> (554)
229975-97-7

$$$$
GSK2118436.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (555)
1218

>  <Formula> (555)
C23H20F3N5O2S2

>  <MolWeight> (555)
519.5624096

>  <Item Name> (555)
Dabrafenib (GSK2118436)

>  <Catalog Number> (555)
S2807

>  <Synonyms> (555)
N/A 

>  <Target> (555)
Raf

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/dabrafenib-gsk2118436a.html

>  <CAS Number> (555)
1195765-45-7

$$$$
vildagliptin.cdx
csChFnd80/08251616502D

 22 25  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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  2  6  1  0  0  0  0
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 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
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 14 21  1  0  0  0  0
 19 22  1  0  0  0  0
  9 10  3  0  0  0  0
M  END
>  <Mol_ID> (556)
1223

>  <Formula> (556)
C17H25N3O2

>  <MolWeight> (556)
303.3993

>  <Item Name> (556)
Vildagliptin (LAF-237)

>  <Catalog Number> (556)
S3033

>  <Synonyms> (556)
Galvus 

>  <Target> (556)
DPP-4

>  <Form> (556)
Free Base

>  <URL> (556)
http://www.selleckchem.com/products/vildagliptin-laf-237.html

>  <CAS Number> (556)
274901-16-5

$$$$
Pravastatin sodium.cdx
csChFnd80/08251616502D

 32 32  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
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    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7364    4.9024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.7364    6.3024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.6969    3.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.8073    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
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 10  5  1  0  0  0  0
  2 11  1  1  0  0  0
  5 12  1  1  0  0  0
  9 13  1  1  0  0  0
 10 14  1  1  0  0  0
  6 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 23 31  1  6  0  0  0
 25 32  1  6  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (557)
1226

>  <Formula> (557)
C23H35NaO7

>  <MolWeight> (557)
446.50957

>  <Item Name> (557)
Pravastatin sodium

>  <Catalog Number> (557)
S3036

>  <Synonyms> (557)
Selektine 

>  <Target> (557)
HMG-CoA Reductase

>  <Form> (557)
Free Base

>  <URL> (557)
http://www.selleckchem.com/products/pravastatin-pravachol.html

>  <CAS Number> (557)
81131-70-6

$$$$
Daunomycin HCL.cdx
csChFnd80/08251616502D

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  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
 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
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 21  2  0  0  0  0
  7 22  2  0  0  0  0
 14 23  1  0  0  0  0
 11 24  1  0  0  0  0
 18 25  1  1  0  0  0
 16 26  1  1  0  0  0
 16 27  1  6  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 25 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
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 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 30 36  1  1  0  0  0
 34 37  1  1  0  0  0
 33 38  1  1  0  0  0
 32 39  1  1  0  0  0
M  END
>  <Mol_ID> (558)
1227

>  <Formula> (558)
C27H30ClNO10

>  <MolWeight> (558)
563.9808

>  <Item Name> (558)
Daunorubicin HCl (Daunomycin HCl)

>  <Catalog Number> (558)
S3035

>  <Synonyms> (558)
N/A 

>  <Target> (558)
Telomerase

>  <Form> (558)
Hydrochloride

>  <URL> (558)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

>  <CAS Number> (558)
23541-50-6

$$$$
Sodium valproate.cdx
csChFnd80/08251616502D

 11  9  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
    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 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  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  8  2  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
M  END
>  <Mol_ID> (559)
1234

>  <Formula> (559)
C8H15NaO2

>  <MolWeight> (559)
166.19327

>  <Item Name> (559)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (559)
S1168

>  <Synonyms> (559)
N/A 

>  <Target> (559)
GABA Receptor, HDAC

>  <Form> (559)
Free Base

>  <URL> (559)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (559)
1069-66-5

$$$$
Thalidomide.cdx
csChFnd80/08251616502D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.4229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  1 10  2  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (560)
1236

>  <Formula> (560)
C13H10N2O4

>  <MolWeight> (560)
258.2295

>  <Item Name> (560)
Thalidomide

>  <Catalog Number> (560)
S1193

>  <Synonyms> (560)
Thalomid 

>  <Target> (560)
Others

>  <Form> (560)
Free Base

>  <URL> (560)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (560)
50-35-1

$$$$
Finasteride.cdx
csChFnd80/08251616502D

 31 34  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  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  1  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  0  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
    0.0000    0.7024    0.0000 O   0  0  0  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
    6.0580    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6328    6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    6.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    7.6963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7995    8.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4995   10.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    9.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1518    8.5464    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
    4.8455    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    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  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
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  4 29  1  6  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
M  END
>  <Mol_ID> (561)
1237

>  <Formula> (561)
C23H36N2O2

>  <MolWeight> (561)
372.54414

>  <Item Name> (561)
Finasteride

>  <Catalog Number> (561)
S1197

>  <Synonyms> (561)
N/A 

>  <Target> (561)
5-alpha Reductase

>  <Form> (561)
Free Base

>  <URL> (561)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (561)
98319-26-7

$$$$
Bisoprolol Fumarate.cdx
csChFnd80/08251616502D

 31 30  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7701    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0024    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
    2.4249    0.0024    0.0000 O   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
   18.5262    1.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5262    2.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7386    3.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7386    4.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9511    5.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9511    6.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1635    4.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3138    3.4644    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
  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
  2 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
 21 23  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  1  0  0  0  0
 28 30  2  0  0  0  0
 25 31  2  0  0  0  0
M  END
>  <Mol_ID> (562)
1238

>  <Formula> (562)
C22H35NO8

>  <MolWeight> (562)
441.5152

>  <Item Name> (562)
Bisoprolol

>  <Catalog Number> (562)
S1206

>  <Synonyms> (562)
Zebeta 

>  <Target> (562)
Adrenergic Receptor

>  <Form> (562)
Free Base

>  <URL> (562)
http://www.selleckchem.com/products/Bisoprolol-Fumarate.html

>  <CAS Number> (562)
104344-23-2

$$$$
Dacarbazine.cdx
csChFnd80/08251616502D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    1.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665    0.7742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188    1.1365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3811    2.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    0.1465    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
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  6  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  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (563)
1239

>  <Formula> (563)
C6H10N6O

>  <MolWeight> (563)
182.1832

>  <Item Name> (563)
Dacarbazine (DTIC-Dome)

>  <Catalog Number> (563)
S1221

>  <Synonyms> (563)
DTIC 

>  <Target> (563)
DNA/RNA Synthesis

>  <Form> (563)
Free Base

>  <URL> (563)
http://www.selleckchem.com/products/Dacarbazine.html

>  <CAS Number> (563)
4342-03-4

$$$$
Entecavir hydrate.cdx
csChFnd80/08251616502D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.6540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.5921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5728    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 16 12  1  0  0  0  0
 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> (564)
1240

>  <Formula> (564)
C12H17N5O4

>  <MolWeight> (564)
295.29448

>  <Item Name> (564)
Entecavir hydrate

>  <Catalog Number> (564)
S1252

>  <Synonyms> (564)
Baraclude 

>  <Target> (564)
Others

>  <Form> (564)
Hydrate

>  <URL> (564)
http://www.selleckchem.com/products/Entecavir.html

>  <CAS Number> (564)
209216-23-9

$$$$
Rufinamide.cdx
csChFnd80/08251616502D

 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
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    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
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (565)
1242

>  <Formula> (565)
C10H8F2N4O

>  <MolWeight> (565)
238.1935264

>  <Item Name> (565)
Rufinamide (Banzel)

>  <Catalog Number> (565)
S1256

>  <Synonyms> (565)
Banzel 

>  <Target> (565)
Sodium Channel

>  <Form> (565)
Free Base

>  <URL> (565)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (565)
106308-44-5

$$$$
Acarbose.cdx
csChFnd80/08251616502D

 44 47  0  0  0  0  0  0  0  0999 V2000
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    7.2620    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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    3.6331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5903    0.0000 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
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 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
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 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> (566)
1243

>  <Formula> (566)
C25H43NO18

>  <MolWeight> (566)
645.60482

>  <Item Name> (566)
Acarbose

>  <Catalog Number> (566)
S1271

>  <Synonyms> (566)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (566)
Others

>  <Form> (566)
Free Base

>  <URL> (566)
http://www.selleckchem.com/products/Acarbose.html

>  <CAS Number> (566)
56180-94-0

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/08251616502D

 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
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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> (567)
1244

>  <Formula> (567)
C14H22N2O

>  <MolWeight> (567)
234.33728

>  <Item Name> (567)
Lidocaine (Alphacaine)

>  <Catalog Number> (567)
S1357

>  <Synonyms> (567)
Alphacaine, Xylocaine, lignocaine

>  <Target> (567)
Histamine Receptor

>  <Form> (567)
Free Base

>  <URL> (567)
http://www.selleckchem.com/products/Lidocaine.html

>  <CAS Number> (567)
137-58-6

$$$$

csChFnd80/08251616502D

 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
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    2.2669    9.8265    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  6  8  1  0  0  0  0
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  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
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 29 20  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
>  <Mol_ID> (568)
1245

>  <Formula> (568)
C19H24BrNO5S2

>  <MolWeight> (568)
490.43156

>  <Item Name> (568)
Tiotropium Bromide hydrate

>  <Catalog Number> (568)
S2547

>  <Synonyms> (568)
N/A 

>  <Target> (568)
AChR

>  <Form> (568)
Hydrate

>  <URL> (568)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (568)
139404-48-1

$$$$
Tioxolone.cdx
csChFnd80/08251616502D

 11 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
    4.9646    0.2674    0.0000 S   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 O   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
    7.1826    1.4000    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
  1 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (569)
1246

>  <Formula> (569)
C7H4O3S

>  <MolWeight> (569)
168.16986

>  <Item Name> (569)
Tioxolone

>  <Catalog Number> (569)
S2603

>  <Synonyms> (569)
N/A 

>  <Target> (569)
Carbonic Anhydrase

>  <Form> (569)
Free Base

>  <URL> (569)
http://www.selleckchem.com/products/tioxolone.html

>  <CAS Number> (569)
4991-65-5

$$$$
Betaxolol hydrochloride.cdx
csChFnd80/08251616502D

 23 23  0  0  0  0  0  0  0  0999 V2000
    7.5076    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6076    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    4.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5076    4.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8076    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0027    3.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7003    2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1003    2.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7979    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1979    3.7499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8954    4.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2906    4.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1979    6.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7979    1.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    4.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5236    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  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
 12 14  1  0  0  0  0
  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> (570)
1250

>  <Formula> (570)
C18H30ClNO3

>  <MolWeight> (570)
343.8887

>  <Item Name> (570)
Betaxolol hydrochloride (Betoptic)

>  <Catalog Number> (570)
S1827

>  <Synonyms> (570)
Lokren ,Kerlone 

>  <Target> (570)
Adrenergic Receptor

>  <Form> (570)
Hydrochloride

>  <URL> (570)
http://www.selleckchem.com/products/betaxolol-hydrochloride-betoptic.html

>  <CAS Number> (570)
63659-19-8

$$$$
Sodium salicylate.cdx
csChFnd80/08251616502D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.7000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (571)
1251

>  <Formula> (571)
C7H6NaO3

>  <MolWeight> (571)
161.11051

>  <Item Name> (571)
Sodium salicylate

>  <Catalog Number> (571)
S3137

>  <Synonyms> (571)
N/A 

>  <Target> (571)
Others

>  <Form> (571)
Salicylate

>  <URL> (571)
http://www.selleckchem.com/products/sodium-salicylate.html

>  <CAS Number> (571)
54-21-7

$$$$
Sulfamerazine.cdx
csChFnd80/08251616502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    0.0000 N   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  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  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
 10 11  1  0  0  0  0
  4 18  1  0  0  0  0
M  END
>  <Mol_ID> (572)
1252

>  <Formula> (572)
C11H12N4O2S

>  <MolWeight> (572)
264.30358

>  <Item Name> (572)
Sulfamerazine

>  <Catalog Number> (572)
S3132

>  <Synonyms> (572)
N/A 

>  <Target> (572)
Others

>  <Form> (572)
Free Base

>  <URL> (572)
http://www.selleckchem.com/products/sulfamerazine.html

>  <CAS Number> (572)
127-79-7

$$$$
Sulfamethazine.cdx
csChFnd80/08251616502D

 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 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
    6.0538    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8313    3.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.7951    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
    8.4744    4.8951    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    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.0976    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
  8 11  2  0  0  0  0
  8 12  2  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 17  2  0  0  0  0
 17 10  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (573)
1253

>  <Formula> (573)
C12H14N4O2S

>  <MolWeight> (573)
278.33016

>  <Item Name> (573)
Sulfamethazine

>  <Catalog Number> (573)
S3133

>  <Synonyms> (573)
N/A 

>  <Target> (573)
Others

>  <Form> (573)
Free Base

>  <URL> (573)
http://www.selleckchem.com/products/sulfamethazine.html

>  <CAS Number> (573)
57-68-1

$$$$
Trimethoprim.cdx
csChFnd80/08251616502D

 21 22  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
    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   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
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 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
    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
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   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
    9.6995    4.9000    0.0000 O   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
  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
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 14 16  1  0  0  0  0
 18 19  1  0  0  0  0
 13 18  1  0  0  0  0
 20 21  1  0  0  0  0
 12 20  1  0  0  0  0
  9 10  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (574)
1256

>  <Formula> (574)
C14H18N4O3

>  <MolWeight> (574)
290.31772

>  <Item Name> (574)
Trimethoprim

>  <Catalog Number> (574)
S3129

>  <Synonyms> (574)
N/A 

>  <Target> (574)
Others

>  <Form> (574)
Free Base

>  <URL> (574)
http://www.selleckchem.com/products/trimethoprim.html

>  <CAS Number> (574)
738-70-5

$$$$
Entacapone.cdx
csChFnd80/08251616502D

 22 22  0  0  0  0  0  0  0  0999 V2000
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  3  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (575)
1257

>  <Formula> (575)
C14H15N3O5

>  <MolWeight> (575)
305.286

>  <Item Name> (575)
Entacapone

>  <Catalog Number> (575)
S3147 

>  <Synonyms> (575)
N/A 

>  <Target> (575)
Others

>  <Form> (575)
Free Base

>  <URL> (575)
http://www.selleckchem.com/products/entacapone.html

>  <CAS Number> (575)
130929-57-6

$$$$
Estradiol Valerate.cdx
csChFnd80/08251616502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 21 22  1  0  0  0  0
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 22 24  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
M  END
>  <Mol_ID> (576)
1259

>  <Formula> (576)
C23H32O3

>  <MolWeight> (576)
356.49838

>  <Item Name> (576)
Estradiol valerate

>  <Catalog Number> (576)
S3149

>  <Synonyms> (576)
N/A 

>  <Target> (576)
Estrogen/progestogen Receptor

>  <Form> (576)
Free Base

>  <URL> (576)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (576)
979-32-8

$$$$
Articaine hydrochloride.cdx
csChFnd80/08251616502D

 20 19  0  0  0  0  0  0  0  0999 V2000
    8.5536    3.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1869    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9538    0.0000    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
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  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
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  1  6  1  0  0  0  0
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  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (577)
1260

>  <Formula> (577)
C13H21ClN2O3S

>  <MolWeight> (577)
320.83544

>  <Item Name> (577)
Articaine HCl

>  <Catalog Number> (577)
S3150

>  <Synonyms> (577)
N/A 

>  <Target> (577)
Others

>  <Form> (577)
HCl

>  <URL> (577)
http://www.selleckchem.com/products/articaine-hydrochloride.html

>  <CAS Number> (577)
23964-57-0

$$$$
Gliquidone.cdx
csChFnd80/08251616502D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.4000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1876   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000   14.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  1  0  0  0  0
  4 11  1  0  0  0  0
 29 30  2  0  0  0  0
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 29 31  1  0  0  0  0
 10 29  1  0  0  0  0
M  END
>  <Mol_ID> (578)
1261

>  <Formula> (578)
C27H33N3O6S

>  <MolWeight> (578)
527.63242

>  <Item Name> (578)
Gliquidone

>  <Catalog Number> (578)
S3151

>  <Synonyms> (578)
Glurenorm 

>  <Target> (578)
Others

>  <Form> (578)
Free Base

>  <URL> (578)
http://www.selleckchem.com/products/gliquidone.html

>  <CAS Number> (578)
33342-05-1

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/08251616502D

 25 26  0  0  0  0  0  0  0  0999 V2000
    9.8000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (579)
1262

>  <Formula> (579)
C23H28ClN

>  <MolWeight> (579)
353.92812

>  <Item Name> (579)
Butenafine HCl

>  <Catalog Number> (579)
S3154

>  <Synonyms> (579)
N/A 

>  <Target> (579)
Others

>  <Form> (579)
HCl

>  <URL> (579)
http://www.selleckchem.com/products/butenafine-hydrochloride.html

>  <CAS Number> (579)
101827-46-7

$$$$
Mepivacaine hydrochloride.cdx
csChFnd80/08251616502D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (580)
1263

>  <Formula> (580)
C15H23ClN2O

>  <MolWeight> (580)
282.80892

>  <Item Name> (580)
Mepivacaine HCl

>  <Catalog Number> (580)
S3155

>  <Synonyms> (580)
N/A 

>  <Target> (580)
Others

>  <Form> (580)
HCl

>  <URL> (580)
http://www.selleckchem.com/products/mepivacaine-hydrochloride.html

>  <CAS Number> (580)
1722-62-9

$$$$
Tylosin tartrate.cdx
csChFnd80/08251616502D

 76 78  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (581)
1264

>  <Formula> (581)
C50H83NO23

>  <MolWeight> (581)
1066.18692

>  <Item Name> (581)
Tylosin tartrate

>  <Catalog Number> (581)
S3162

>  <Synonyms> (581)
N/A 

>  <Target> (581)
Others

>  <Form> (581)
Tartrate

>  <URL> (581)
http://www.selleckchem.com/products/tylosin-tartrate.html

>  <CAS Number> (581)
74610-55-2

$$$$
Benztropine mesylate.cdx
csChFnd80/08251616502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (582)
1265

>  <Formula> (582)
C22H29NO4S

>  <MolWeight> (582)
403.53496

>  <Item Name> (582)
Benztropine mesylate

>  <Catalog Number> (582)
S3163

>  <Synonyms> (582)
N/A 

>  <Target> (582)
Histamine Receptor

>  <Form> (582)
Mesylate

>  <URL> (582)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (582)
132-17-2

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (583)
1267

>  <Formula> (583)
C8H14Cl2N2

>  <MolWeight> (583)
209.11616

>  <Item Name> (583)
Betahistine 2HCl

>  <Catalog Number> (583)
S3176

>  <Synonyms> (583)
N/A 

>  <Target> (583)
Histamine Receptor

>  <Form> (583)
2HCl

>  <URL> (583)
http://www.selleckchem.com/products/betahistine-dihydrochloride.html

>  <CAS Number> (583)
5579-84-0

$$$$
Brinzolamide.cdx
csChFnd80/08251616502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
    0.0000    6.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.8406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0047    3.0431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  3  4  1  0  0  0  0
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  1  6  1  0  0  0  0
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  5  7  1  0  0  0  0
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 10 11  2  0  0  0  0
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  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> (584)
1268

>  <Formula> (584)
C12H21N3O5S3

>  <MolWeight> (584)
383.50724

>  <Item Name> (584)
Brinzolamide

>  <Catalog Number> (584)
S3178

>  <Synonyms> (584)
Azopt 

>  <Target> (584)
Carbonic Anhydrase

>  <Form> (584)
Free Base

>  <URL> (584)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (584)
138890-62-7

$$$$
Carbenicillin disodium.cdx
csChFnd80/08251616502D

 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
    7.0060    3.9598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6336    1.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3483    3.3322    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7106    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7207    5.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    7.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   11.0629    5.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3382    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6905    2.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9759    0.9899    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4312    5.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
 15 17  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
 18 23  2  0  0  0  0
 17 18  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 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> (585)
1269

>  <Formula> (585)
C17H16N2Na2O6S

>  <MolWeight> (585)
422.36328

>  <Item Name> (585)
Carbenicillin disodium

>  <Catalog Number> (585)
S3179

>  <Synonyms> (585)
N/A 

>  <Target> (585)
Others

>  <Form> (585)
Disodium

>  <URL> (585)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (585)
4800-94-6

$$$$
Flumequine.cdx
csChFnd80/08251616502D

 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
    3.6363    6.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2735    0.0015    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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
  5 10  1  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
  1 11  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3 14  1  0  0  0  0
  2 17  2  0  0  0  0
  6 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (586)
1271

>  <Formula> (586)
C14H12FNO3

>  <MolWeight> (586)
261.2483832

>  <Item Name> (586)
Flumequine

>  <Catalog Number> (586)
S3181

>  <Synonyms> (586)
N/A 

>  <Target> (586)
Others

>  <Form> (586)
Free Base

>  <URL> (586)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (586)
42835-25-6

$$$$
Azlocillin sodium salt.cdx
csChFnd80/08251616502D

 33 35  0  0  0  0  0  0  0  0999 V2000
    5.8899    6.2769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9632    4.8789    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6562    4.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    5.4651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5377    6.6393    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9000    7.9916    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2523    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1374    4.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0641    2.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3498    4.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    9.2040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   10.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000   11.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3923   14.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   14.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612   15.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4821    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6651    0.0000    0.0000 Na  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
  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  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 15 20  2  0  0  0  0
 14 15  1  0  0  0  0
 22 23  2  0  0  0  0
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 22 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  1  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
  7 30  2  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
M  END
>  <Mol_ID> (587)
1273

>  <Formula> (587)
C20H23N5NaO6S

>  <MolWeight> (587)
484.48129

>  <Item Name> (587)
Azlocillin sodium salt

>  <Catalog Number> (587)
S3195

>  <Synonyms> (587)
N/A 

>  <Target> (587)
Others

>  <Form> (587)
Sodium Salt

>  <URL> (587)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (587)
37091-65-9

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/08251616502D

 30 31  0  0  0  0  0  0  0  0999 V2000
   16.3629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2629    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0629    6.0622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4629    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2629    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4629    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0629    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0505    1.9124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4753    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5629    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6629    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4629    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   23.3629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2574    3.6373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (588)
1274

>  <Formula> (588)
C21H26Cl2F3N3S

>  <MolWeight> (588)
480.4174496

>  <Item Name> (588)
Trifluoperazine 2HCl

>  <Catalog Number> (588)
S3201

>  <Synonyms> (588)
 N/A 

>  <Target> (588)
Others

>  <Form> (588)
2HCl

>  <URL> (588)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (588)
440-17-5

$$$$
Meptazinol hydrochloride.cdx
csChFnd80/08251616502D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9900    3.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (589)
1275

>  <Formula> (589)
C15H24ClNO

>  <MolWeight> (589)
269.81016

>  <Item Name> (589)
Meptazinol HCl

>  <Catalog Number> (589)
S3204

>  <Synonyms> (589)
N/A 

>  <Target> (589)
Others

>  <Form> (589)
HCl

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

>  <CAS Number> (589)
59263-76-2

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/08251616502D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.7302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 13  2  0  0  0  0
M  END
>  <Mol_ID> (590)
1276

>  <Formula> (590)
C9H12ClNO3

>  <MolWeight> (590)
217.64948

>  <Item Name> (590)
Adrenalone HCl

>  <Catalog Number> (590)
S3185

>  <Synonyms> (590)
N/A 

>  <Target> (590)
Adrenergic Receptor

>  <Form> (590)
HCl

>  <URL> (590)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (590)
62-13-5

$$$$
Azacyclonol.cdx
csChFnd80/08251616502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (591)
1277

>  <Formula> (591)
C18H21NO

>  <MolWeight> (591)
267.36544

>  <Item Name> (591)
Azacyclonol

>  <Catalog Number> (591)
S3196

>  <Synonyms> (591)
N/A 

>  <Target> (591)
Others

>  <Form> (591)
Free Base

>  <URL> (591)
http://www.selleckchem.com/products/azacyclonol.html

>  <CAS Number> (591)
115-46-8

$$$$
Reboxetine mesylate.cdx
csChFnd80/08251616502D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2040    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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 15  9  1  0  0  0  0
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 26 28  1  0  0  0  0
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M  END
>  <Mol_ID> (592)
1278

>  <Formula> (592)
C20H27NO6S

>  <MolWeight> (592)
409.49648

>  <Item Name> (592)
Reboxetine mesylate

>  <Catalog Number> (592)
S3199 

>  <Synonyms> (592)
N/A 

>  <Target> (592)
Others

>  <Form> (592)
Mesylate

>  <URL> (592)
http://www.selleckchem.com/products/reboxetine-mesylate.html

>  <CAS Number> (592)
98769-84-7

$$$$
Triflusal.cdx
csChFnd80/08251616502D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.0124    6.0622    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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  4  5  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (593)
1279

>  <Formula> (593)
C10H7F3O4

>  <MolWeight> (593)
248.1553896

>  <Item Name> (593)
Triflusal

>  <Catalog Number> (593)
S3200

>  <Synonyms> (593)
N/A 

>  <Target> (593)
COX

>  <Form> (593)
Free Base

>  <URL> (593)
http://www.selleckchem.com/products/triflusal.html

>  <CAS Number> (593)
322-79-2

$$$$
Xylazine HCl.cdx
csChFnd80/08251616502D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    3.6331    1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3118    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <Mol_ID> (594)
1284

>  <Formula> (594)
C12H17ClN2S

>  <MolWeight> (594)
256.79478

>  <Item Name> (594)
Xylazine HCl

>  <Catalog Number> (594)
S2516

>  <Synonyms> (594)
N/A 

>  <Target> (594)
Adrenergic Receptor

>  <Form> (594)
Hydrochloride

>  <URL> (594)
http://www.selleckchem.com/products/Xylazine(Rompun).html

>  <CAS Number> (594)
23076-35-9

$$$$
Catharanthine.cdx
csChFnd80/08251616502D

 27 31  0  0  0  0  0  0  0  0999 V2000
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    1.2124    3.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (595)
1285

>  <Formula> (595)
C21H24N2O2

>  <MolWeight> (595)
336.42746

>  <Item Name> (595)
Catharanthine

>  <Catalog Number> (595)
S3202

>  <Synonyms> (595)
N/A 

>  <Target> (595)
Others

>  <Form> (595)
Free Base

>  <URL> (595)
http://www.selleckchem.com/products/catharanthine.html

>  <CAS Number> (595)
2468-21-5

$$$$
Fexofenadine HCl.cdx
csChFnd80/08251616502D

 38 40  0  0  0  0  0  0  0  0999 V2000
    4.8413    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (596)
1286

>  <Formula> (596)
C32H40ClNO4

>  <MolWeight> (596)
538.1173

>  <Item Name> (596)
Fexofenadine HCl

>  <Catalog Number> (596)
S3208

>  <Synonyms> (596)
N/A 

>  <Target> (596)
Histamine Receptor

>  <Form> (596)
HCl

>  <URL> (596)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (596)
153439-40-8

$$$$
Amidopyrine.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (597)
1287

>  <Formula> (597)
C13H17N3O

>  <MolWeight> (597)
231.29358

>  <Item Name> (597)
Amidopyrine

>  <Catalog Number> (597)
S3209

>  <Synonyms> (597)
N/A 

>  <Target> (597)
Others

>  <Form> (597)
Free Base

>  <URL> (597)
http://www.selleckchem.com/products/amidopyrine.html

>  <CAS Number> (597)
58-15-1

$$$$
Moclobemide.cdx
csChFnd80/08251616502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (598)
1289

>  <Formula> (598)
C13H17ClN2O2

>  <MolWeight> (598)
268.73928

>  <Item Name> (598)
Moclobemide

>  <Catalog Number> (598)
S3212

>  <Synonyms> (598)
N/A 

>  <Target> (598)
MAO

>  <Form> (598)
Free Base

>  <URL> (598)
http://www.selleckchem.com/products/moclobemide.html

>  <CAS Number> (598)
71320-77-9

$$$$
Ascorbic acid.cdx
csChFnd80/08251616502D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (599)
1292

>  <Formula> (599)
C6H8O6

>  <MolWeight> (599)
176.12412

>  <Item Name> (599)
Vitamin C (Ascorbic acid)

>  <Catalog Number> (599)
S3114

>  <Synonyms> (599)
N/A 

>  <Target> (599)
Others

>  <Form> (599)
Free Base

>  <URL> (599)
http://www.selleckchem.com/products/vitamin-c-ascorbic-acid.html

>  <CAS Number> (599)
50-81-7

$$$$
Sulfathiazole.cdx
csChFnd80/08251616502D

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1293

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Sulfathiazole

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>  <Target> (600)
Others

>  <Form> (600)
Free Base

>  <URL> (600)
http://www.selleckchem.com/products/sulfathiazole.html

>  <CAS Number> (600)
72-14-0

$$$$
carfilzomib(PR-171).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (601)
1294

>  <Formula> (601)
C40H57N5O7

>  <MolWeight> (601)
719.90988

>  <Item Name> (601)
Carfilzomib (PR-171)

>  <Catalog Number> (601)
S2853

>  <Synonyms> (601)
N/A 

>  <Target> (601)
Proteasome

>  <Form> (601)
Free Base

>  <URL> (601)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

>  <CAS Number> (601)
868540-17-4

$$$$
VIOXX (rofecoxib).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (602)
1296

>  <Formula> (602)
C17H14O4S

>  <MolWeight> (602)
314.35566

>  <Item Name> (602)
Rofecoxib (Vioxx)

>  <Catalog Number> (602)
S3043

>  <Synonyms> (602)
N/A 

>  <Target> (602)
COX

>  <Form> (602)
Free Base

>  <URL> (602)
http://www.selleckchem.com/products/rofecoxib-vioxx.html

>  <CAS Number> (602)
N/A 

$$$$
Azilsartan.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (603)
1297

>  <Formula> (603)
C25H20N4O5

>  <MolWeight> (603)
456.4501

>  <Item Name> (603)
Azilsartan (TAK-536)

>  <Catalog Number> (603)
S3046

>  <Synonyms> (603)
N/A 

>  <Target> (603)
RAAS

>  <Form> (603)
Free Base

>  <URL> (603)
http://www.selleckchem.com/products/azilsartan-tak-536.html

>  <CAS Number> (603)
147403-03-0

$$$$
Cinepazide maleate.cdx
csChFnd80/08251616502D

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   10.7028    7.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7650    7.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (604)
1298

>  <Formula> (604)
C26H35N3O9

>  <MolWeight> (604)
533.5708

>  <Item Name> (604)
Cinepazide maleate

>  <Catalog Number> (604)
S3045

>  <Synonyms> (604)
N/A 

>  <Target> (604)
Others

>  <Form> (604)
Maleate

>  <URL> (604)
http://www.selleckchem.com/products/cinepazide-maleate.html

>  <CAS Number> (604)
26328-04-1

$$$$
Otilonium Bromide.cdx
csChFnd80/08251616502D

 36 36  0  0  0  0  0  0  0  0999 V2000
   20.6114    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.3990    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 35  1  0  0  0  0
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M  END
>  <Mol_ID> (605)
1307

>  <Formula> (605)
C29H43BrN2O4

>  <MolWeight> (605)
563.56672

>  <Item Name> (605)
Otilonium Bromide

>  <Catalog Number> (605)
S3047

>  <Synonyms> (605)
N/A

>  <Target> (605)
AChR

>  <Form> (605)
Free Base

>  <URL> (605)
http://www.selleckchem.com/products/otilonium-bromide.html

>  <CAS Number> (605)
26095-59-0

$$$$
Alverine citrate.cdx
csChFnd80/08251616502D

 34 34  0  0  0  0  0  0  0  0999 V2000
   10.9119    7.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 24 31  1  0  0  0  0
 23 34  1  0  0  0  0
M  END
>  <Mol_ID> (606)
1318

>  <Formula> (606)
C26H35NO7

>  <MolWeight> (606)
473.5586

>  <Item Name> (606)
Alverine Citrate

>  <Catalog Number> (606)
S3054

>  <Synonyms> (606)
N/A

>  <Target> (606)
Others

>  <Form> (606)
Citrate

>  <URL> (606)
http://www.selleckchem.com/products/alverine-citrate.html

>  <CAS Number> (606)
5560-59-8

$$$$
Azelnidipine.cdx
csChFnd80/08251616502D

 43 47  0  0  0  0  0  0  0  0999 V2000
   10.2017    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4141    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   12.6266    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8390    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (607)
1319

>  <Formula> (607)
C33H34N4O6

>  <MolWeight> (607)
582.64626

>  <Item Name> (607)
Azelnidipine

>  <Catalog Number> (607)
S3053

>  <Synonyms> (607)
N/A

>  <Target> (607)
Calcium Channel

>  <Form> (607)
Free Base

>  <URL> (607)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (607)
123524-52-7

$$$$
Solifenacin succinate.cdx
csChFnd80/08251616502D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (608)
1320

>  <Formula> (608)
C27H32N2O6

>  <MolWeight> (608)
480.55278

>  <Item Name> (608)
Solifenacin succinate

>  <Catalog Number> (608)
S3048

>  <Synonyms> (608)
N/A

>  <Target> (608)
AChR

>  <Form> (608)
Succinate

>  <URL> (608)
http://www.selleckchem.com/products/solifenacin-succinate.html

>  <CAS Number> (608)
242478-38-2

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/08251616502D

 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
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    1.2124    5.5806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3878    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2083    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4208    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
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  6  1  1  0  0  0  0
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  5  8  1  0  0  0  0
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  4 10  1  0  0  0  0
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 11 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
 15 16  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> (609)
1324

>  <Formula> (609)
C18H22Cl2N2O2

>  <MolWeight> (609)
369.28548

>  <Item Name> (609)
Diclofenac Diethylamine

>  <Catalog Number> (609)
S3063

>  <Synonyms> (609)
N/A

>  <Target> (609)
Others

>  <Form> (609)
Diethylamine

>  <URL> (609)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (609)
78213-16-8

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/08251616502D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 10  5  1  0  0  0  0
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 16 11  1  0  0  0  0
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 12 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (610)
1325

>  <Formula> (610)
C14H10Cl2KNO2

>  <MolWeight> (610)
334.239

>  <Item Name> (610)
Diclofenac Potassium

>  <Catalog Number> (610)
S3062

>  <Synonyms> (610)
N/A

>  <Target> (610)
Others

>  <Form> (610)
Potassium

>  <URL> (610)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (610)
15307-81-0

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/08251616502D

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 17 33  1  6  0  0  0
 14 38  1  1  0  0  0
M  END
>  <Mol_ID> (611)
1331

>  <Formula> (611)
C28H37ClO7

>  <MolWeight> (611)
521.04218

>  <Item Name> (611)
Beclomethasone dipropionate 

>  <Catalog Number> (611)
S3078

>  <Synonyms> (611)
Beclometasone dipropionate

>  <Target> (611)
Others

>  <Form> (611)
Free Base

>  <URL> (611)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

>  <CAS Number> (611)
5534-09-8

$$$$
Naloxone HCL.cdx
csChFnd80/08251616502D

 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
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 10  3  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14  1  1  0  0  0  0
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 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (612)
1332

>  <Formula> (612)
C19H22ClNO4

>  <MolWeight> (612)
363.83528

>  <Item Name> (612)
Naloxone HCl

>  <Catalog Number> (612)
S3066

>  <Synonyms> (612)
N/A

>  <Target> (612)
Opioid Receptor

>  <Form> (612)
HCl

>  <URL> (612)
http://www.selleckchem.com/products/naloxone-hcl.html

>  <CAS Number> (612)
357-08-4

$$$$
Dexmedetomidine.cdx
csChFnd80/08251616502D

 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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  1  2  2  0  0  0  0
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 10 11  1  0  0  0  0
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 14 10  2  0  0  0  0
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M  END
>  <Mol_ID> (613)
1336

>  <Formula> (613)
C13H16N2

>  <MolWeight> (613)
200.27954

>  <Item Name> (613)
Dexmedetomidine

>  <Catalog Number> (613)
S3075

>  <Synonyms> (613)
N/A

>  <Target> (613)
Adrenergic Receptor

>  <Form> (613)
Free Base

>  <URL> (613)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (613)
113775-47-6

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (614)
1343

>  <Formula> (614)
C22H19ClO3

>  <MolWeight> (614)
366.83746

>  <Item Name> (614)
Atovaquone (Atavaquone)

>  <Catalog Number> (614)
S3079

>  <Synonyms> (614)
N/A

>  <Target> (614)
Free Base

>  <Form> (614)
Free Base

>  <URL> (614)
http://www.selleckchem.com/products/atovaquone-atavaquone.html

>  <CAS Number> (614)
95233-18-4

$$$$
etravirine (TMC125).cdx
csChFnd80/08251616502D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.7494    7.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3120    9.0623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9434    6.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9434    5.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 13  4  1  0  0  0  0
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 20  5  1  0  0  0  0
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  8  7  1  0  0  0  0
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 10  8  2  0  0  0  0
 18  9  2  0  0  0  0
 27  9  1  0  0  0  0
 17 10  1  0  0  0  0
 28 10  1  0  0  0  0
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M  END
>  <Mol_ID> (615)
1344

>  <Formula> (615)
C20H15BrN6O

>  <MolWeight> (615)
435.2767

>  <Item Name> (615)
Etravirine (TMC125)

>  <Catalog Number> (615)
S3080

>  <Synonyms> (615)
N/A

>  <Target> (615)
Reverse Transcriptase

>  <Form> (615)
Free Base

>  <URL> (615)
http://www.selleckchem.com/products/etravirine-tmc125.html

>  <CAS Number> (615)
269055-15-4

$$$$
Indacaterol Maleate.cdx
csChFnd80/08251616502D

 37 39  0  0  0  0  0  0  0  0999 V2000
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   11.2655    7.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6904    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2655    8.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1165    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3247    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3289    5.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5371    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3247    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5329    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 25  1  0  0  0  0
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 26 27  1  0  0  0  0
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 28 29  1  0  0  0  0
 22 28  1  0  0  0  0
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 30 31  1  0  0  0  0
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 33 36  2  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (616)
1361

>  <Formula> (616)
C28H32N2O7

>  <MolWeight> (616)
508.56288

>  <Item Name> (616)
Indacaterol Maleate

>  <Catalog Number> (616)
S3083

>  <Synonyms> (616)
N/A

>  <Target> (616)
Adrenergic Receptor

>  <Form> (616)
Maleate

>  <URL> (616)
http://www.selleckchem.com/products/indacaterol-maleate.html

>  <CAS Number> (616)
753498-25-8

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/08251616502D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.3073    2.1000    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
   14.5198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 N   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
    3.6331    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    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
    3.6331    4.8951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    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
  8 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  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
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 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (617)
1386

>  <Formula> (617)
C23H27Cl2N3O2

>  <MolWeight> (617)
448.38538

>  <Item Name> (617)
Aripiprazole (Abilify)

>  <Catalog Number> (617)
S1975

>  <Synonyms> (617)
N/A

>  <Target> (617)
5-HT Receptor

>  <Form> (617)
Free Base

>  <URL> (617)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (617)
129722-12-9

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/08251616502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.5660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1326    2.0878    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0654    1.7378    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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  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
  3 11  1  0  0  0  0
 12 11  1  1  0  0  0
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 21 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (618)
1387

>  <Formula> (618)
C18H20ClNOS

>  <MolWeight> (618)
333.8755

>  <Item Name> (618)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (618)
S2084

>  <Synonyms> (618)
N/A

>  <Target> (618)
5-HT Receptor

>  <Form> (618)
HCl

>  <URL> (618)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (618)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/08251616502D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.8404    4.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    3.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    2.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6322    5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.5014    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    5.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1240    3.2890    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
  8 10  2  0  0  0  0
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 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
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 18  5  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (619)
1388

>  <Formula> (619)
C21H31N3O7S

>  <MolWeight> (619)
469.55174

>  <Item Name> (619)
Almotriptan malate (Axert)

>  <Catalog Number> (619)
S2096

>  <Synonyms> (619)
N/A

>  <Target> (619)
5-HT Receptor

>  <Form> (619)
Malate

>  <URL> (619)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (619)
181183-52-8

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/08251616502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.2123    4.9146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.9999    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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
 17 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
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (620)
1391

>  <Formula> (620)
C19H21ClFNO3

>  <MolWeight> (620)
365.8263432

>  <Item Name> (620)
Paroxetine HCl

>  <Catalog Number> (620)
S3005

>  <Synonyms> (620)
N/A

>  <Target> (620)
5-HT Receptor

>  <Form> (620)
HCl

>  <URL> (620)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (620)
78246-49-8

$$$$
Terazosin hydrochloride.cdx
csChFnd80/08251616502D

 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
   11.6545    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.0172    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8090    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6008    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8090    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6008    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6545    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0752    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2876    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5001    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5001    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2876    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0752    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7083    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9165    5.5927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.7083    7.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.9920    3.8427    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  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
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 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> (621)
1392

>  <Formula> (621)
C19H30ClN5O6

>  <MolWeight> (621)
459.9244

>  <Item Name> (621)
Terazosin HCl (Hytrin)

>  <Catalog Number> (621)
S2059

>  <Synonyms> (621)
N/A

>  <Target> (621)
Adrenergic Receptor

>  <Form> (621)
HCl

>  <URL> (621)
http://www.selleckchem.com/products/terazosin-hydrochloride-hytrin.html

>  <CAS Number> (621)
70024-40-7

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/08251616502D

 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
    6.6156   11.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3378    9.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6989    7.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7124    6.7124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3909    7.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2055    6.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488    5.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1748    5.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6965    4.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3341    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    2.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    2.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9630    0.9865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9495    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5611    5.2347    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
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  1  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  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
 25 19  1  0  0  0  0
 22 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
 27 30  1  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
 25 34  2  0  0  0  0
M  END
>  <Mol_ID> (622)
1393

>  <Formula> (622)
C27H37ClN2O5

>  <MolWeight> (622)
505.04608

>  <Item Name> (622)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (622)
S2086

>  <Synonyms> (622)
N/A

>  <Target> (622)
Adrenergic Receptor

>  <Form> (622)
HCl

>  <URL> (622)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (622)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/08251616502D

 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
    8.9076    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5076    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8076    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    5.4124    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1413    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  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
  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> (623)
1394

>  <Formula> (623)
C18H29NO3

>  <MolWeight> (623)
307.42776

>  <Item Name> (623)
Betaxolol (Betoptic)

>  <Catalog Number> (623)
S2091

>  <Synonyms> (623)
N/A

>  <Target> (623)
Adrenergic Receptor

>  <Form> (623)
Free Base

>  <URL> (623)
http://www.selleckchem.com/products/betaxolol-betoptic.html

>  <CAS Number> (623)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/08251616502D

 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
    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
    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
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.7000    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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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  3  4  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (624)
1395

>  <Formula> (624)
C12H15ClN2

>  <MolWeight> (624)
222.7139

>  <Item Name> (624)
Detomidine HCl

>  <Catalog Number> (624)
S2092

>  <Synonyms> (624)
N/A

>  <Target> (624)
Adrenergic Receptor

>  <Form> (624)
HCl

>  <URL> (624)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (624)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/08251616502D

 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
    2.4207    9.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   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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   13.3073   10.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (625)
1396

>  <Formula> (625)
C65H82N2O18S2

>  <MolWeight> (625)
1243.47918

>  <Item Name> (625)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (625)
S2113

>  <Synonyms> (625)
N/A

>  <Target> (625)
Adrenergic Receptor

>  <Form> (625)
Besylate

>  <URL> (625)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (625)
96946-42-8

$$$$
Levosulpiride.cdx
csChFnd80/08251616502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (626)
1397

>  <Formula> (626)
C15H23N3O4S

>  <MolWeight> (626)
341.42582

>  <Item Name> (626)
Levosulpiride (Levogastrol)

>  <Catalog Number> (626)
S2104

>  <Synonyms> (626)
N/A

>  <Target> (626)
Dopamine Receptor   

>  <Form> (626)
Free Base

>  <URL> (626)
http://www.selleckchem.com/products/levosulpiride-levogastrol.html

>  <CAS Number> (626)
23672-07-3

$$$$
Trimebutine.cdx
csChFnd80/08251616502D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  2  9  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
 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (627)
1398

>  <Formula> (627)
C22H29NO5

>  <MolWeight> (627)
387.46936

>  <Item Name> (627)
Trimebutine

>  <Catalog Number> (627)
S2085

>  <Synonyms> (627)
N/A

>  <Target> (627)
Opioid Receptor

>  <Form> (627)
Free Base

>  <URL> (627)
http://www.selleckchem.com/products/trimebutine.html

>  <CAS Number> (627)
39133-31-8

$$$$
Naltrexone hydrochloride.cdx
csChFnd80/08251616502D

 26 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9000    3.6331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2000    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8000    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (628)
1399

>  <Formula> (628)
C20H24ClNO4

>  <MolWeight> (628)
377.86186

>  <Item Name> (628)
Naltrexone HCl

>  <Catalog Number> (628)
S2103

>  <Synonyms> (628)
N/A

>  <Target> (628)
Opioid Receptor

>  <Form> (628)
HCl

>  <URL> (628)
http://www.selleckchem.com/products/naltrexone-hcl.html

>  <CAS Number> (628)
16676-29-2

$$$$
Melatonin.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    2.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7085    4.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4295    4.6735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    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
    6.5989    1.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (629)
1416

>  <Formula> (629)
C13H16N2O2

>  <MolWeight> (629)
232.27834

>  <Item Name> (629)
Melatonin

>  <Catalog Number> (629)
S1204

>  <Synonyms> (629)
Melatonex

>  <Target> (629)
Others

>  <Form> (629)
Free Base

>  <URL> (629)
http://www.selleckchem.com/products/Melatonin.html

>  <CAS Number> (629)
73-31-4

$$$$
Felbamate.cdx
csChFnd80/08251616502D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (630)
1417

>  <Formula> (630)
C11H14N2O4

>  <MolWeight> (630)
238.23986

>  <Item Name> (630)
Felbamate

>  <Catalog Number> (630)
S1330

>  <Synonyms> (630)
Felbatol

>  <Target> (630)
Others

>  <Form> (630)
Free Base

>  <URL> (630)
http://www.selleckchem.com/products/Felbamate.html

>  <CAS Number> (630)
25451-15-4

$$$$
Fluvoxamine maleate.cdx
csChFnd80/08251616502D

 30 29  0  0  0  0  0  0  0  0999 V2000
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    1.3523    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7146    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (631)
1418

>  <Formula> (631)
C19H25F3N2O6

>  <MolWeight> (631)
434.4068096

>  <Item Name> (631)
Fluvoxamine maleate

>  <Catalog Number> (631)
S1336

>  <Synonyms> (631)
Luvox

>  <Target> (631)
5-HT Receptor

>  <Form> (631)
Maleate

>  <URL> (631)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (631)
61718-82-9

$$$$
Oxcarbazepine.cdx
csChFnd80/08251616502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 15  3  1  0  0  0  0
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M  END
>  <Mol_ID> (632)
1419

>  <Formula> (632)
C15H12N2O2

>  <MolWeight> (632)
252.26798

>  <Item Name> (632)
Oxcarbazepine

>  <Catalog Number> (632)
S1391

>  <Synonyms> (632)
Trileptal

>  <Target> (632)
Sodium Channel

>  <Form> (632)
Free Base

>  <URL> (632)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (632)
28721-07-5

$$$$
NAQUIVAL (trichlormethiazide).cdx
csChFnd80/08251616502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.5914    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (633)
1426

>  <Formula> (633)
C8H8Cl3N3O4S2

>  <MolWeight> (633)
380.65582

>  <Item Name> (633)
Trichlormethiazide (Achletin)

>  <Catalog Number> (633)
S1667

>  <Synonyms> (633)
Achletin, Diu-Hydrin, Triflumen

>  <Target> (633)
Others

>  <Form> (633)
Free Base

>  <URL> (633)
http://www.selleckchem.com/products/Trichlormethiazide(Achletin).html

>  <CAS Number> (633)
133-67-5

$$$$
PROFENAL (suprofen).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (634)
1427

>  <Formula> (634)
C14H12O3S

>  <MolWeight> (634)
260.30828

>  <Item Name> (634)
Suprofen (Profenal)

>  <Catalog Number> (634)
S1761

>  <Synonyms> (634)
Profenal, Topalgic, Suprol

>  <Target> (634)
Others

>  <Form> (634)
Free Base

>  <URL> (634)
http://www.selleckchem.com/products/Suprofen(Profenal).html

>  <CAS Number> (634)
40828-46-4

$$$$
Pranlukast.cdx
csChFnd80/08251616502D

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 10  2  1  0  0  0  0
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>  <Mol_ID> (635)
1429

>  <Formula> (635)
C27H23N5O4

>  <MolWeight> (635)
481.50262

>  <Item Name> (635)
Pranlukast

>  <Catalog Number> (635)
S1829

>  <Synonyms> (635)
N/A

>  <Target> (635)
Others

>  <Form> (635)
Free Base

>  <URL> (635)
http://www.selleckchem.com/products/pranlukast.html

>  <CAS Number> (635)
103177-37-3

$$$$
Oxfendazole.cdx
csChFnd80/08251616502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (636)
1430

>  <Formula> (636)
C15H13N3O3S

>  <MolWeight> (636)
315.34702

>  <Item Name> (636)
Oxfendazole

>  <Catalog Number> (636)
S1830

>  <Synonyms> (636)
N/A

>  <Target> (636)
Others

>  <Form> (636)
Free Base

>  <URL> (636)
http://www.selleckchem.com/products/oxfendazole.html

>  <CAS Number> (636)
53716-50-0

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (637)
1431

>  <Formula> (637)
C9H9Cl2N5S

>  <MolWeight> (637)
290.17226

>  <Item Name> (637)
Tizanidine HCl

>  <Catalog Number> (637)
S1437

>  <Synonyms> (637)
Zanaflex, Sirdalud

>  <Target> (637)
Adrenergic Receptor

>  <Form> (637)
HCl

>  <URL> (637)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (637)
64461-82-1

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (638)
1434

>  <Formula> (638)
C43H75NO16

>  <MolWeight> (638)
862.0527

>  <Item Name> (638)
Erythromycin Ethylsuccinate

>  <Catalog Number> (638)
S4060

>  <Synonyms> (638)
N/A

>  <Target> (638)
Others

>  <Form> (638)
Free Base

>  <URL> (638)
http://www.selleckchem.com/products/erythromycin-ethylsuccinate.html

>  <CAS Number> (638)
1264-62-6

$$$$
Linezolid.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (639)
1435

>  <Formula> (639)
C23H23N7O5

>  <MolWeight> (639)
477.47262

>  <Item Name> (639)
Pralatrexate(Folotyn)

>  <Catalog Number> (639)
S1497

>  <Synonyms> (639)
Folotyn

>  <Target> (639)
DHFR

>  <Form> (639)
Free Base

>  <URL> (639)
http://www.selleckchem.com/products/Pralatrexate(Folotyn).html

>  <CAS Number> (639)
146464-95-1

$$$$
CAVERJECT (alprostadil).cdx
csChFnd80/08251616502D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (640)
1436

>  <Formula> (640)
C20H34O5

>  <MolWeight> (640)
354.48096

>  <Item Name> (640)
Alprostadil(Caverject)

>  <Catalog Number> (640)
S1508

>  <Synonyms> (640)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (640)
Others

>  <Form> (640)
Free Base

>  <URL> (640)
http://www.selleckchem.com/products/Alprostadil(Caverject).html

>  <CAS Number> (640)
745-65-3

$$$$

csChFnd80/08251616502D

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M  END
>  <Mol_ID> (641)
1437

>  <Formula> (641)
C18H25N3O2

>  <MolWeight> (641)
315.41

>  <Item Name> (641)
Saxagliptin (BMS-477118,Onglyza)

>  <Catalog Number> (641)
S1540

>  <Synonyms> (641)
N/A

>  <Target> (641)
DPP-4

>  <Form> (641)
Free Base

>  <URL> (641)
http://www.selleckchem.com/products/Saxagliptin(Onglyza).html

>  <CAS Number> (641)
361442-04-8

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/08251616502D

 26 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (642)
1439

>  <Formula> (642)
C19H29ClN2O4

>  <MolWeight> (642)
384.89756

>  <Item Name> (642)
Roxatidine acetate HCl

>  <Catalog Number> (642)
S1880

>  <Synonyms> (642)
N/A

>  <Target> (642)
Histamine Receptor

>  <Form> (642)
HCl

>  <URL> (642)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (642)
93793-83-0

$$$$
Protionamide.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (643)
1440

>  <Formula> (643)
C9H12N2S

>  <MolWeight> (643)
180.26998

>  <Item Name> (643)
Protionamide (Prothionamide)

>  <Catalog Number> (643)
S1881

>  <Synonyms> (643)
N/A

>  <Target> (643)
Others

>  <Form> (643)
Free Base

>  <URL> (643)
http://www.selleckchem.com/products/protionamide-prothionamide.html

>  <CAS Number> (643)
14222-60-7

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (644)
1442

>  <Formula> (644)
C9H10N4O2S2

>  <MolWeight> (644)
270.3313

>  <Item Name> (644)
Sulfamethizole (Proklar)

>  <Catalog Number> (644)
S1957

>  <Synonyms> (644)
Proklar

>  <Target> (644)
Others

>  <Form> (644)
Free Base

>  <URL> (644)
http://www.selleckchem.com/products/Sulfamethizole(Proklar).html

>  <CAS Number> (644)
144-82-1

$$$$
MYDRIACYL (tropicamide).cdx
csChFnd80/08251616502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (645)
1443

>  <Formula> (645)
C17H20N2O2

>  <MolWeight> (645)
284.3529

>  <Item Name> (645)
Tropicamide

>  <Catalog Number> (645)
S1913

>  <Synonyms> (645)
N/A

>  <Target> (645)
AChR

>  <Form> (645)
Free Base

>  <URL> (645)
http://www.selleckchem.com/products/tropicamide.html

>  <CAS Number> (645)
1508-75-4

$$$$
Sulbactam.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (646)
1444

>  <Formula> (646)
C8H11NO5S

>  <MolWeight> (646)
233.24164

>  <Item Name> (646)
Sulbactam

>  <Catalog Number> (646)
S1958

>  <Synonyms> (646)
N/A

>  <Target> (646)
Others

>  <Form> (646)
Free Base

>  <URL> (646)
http://www.selleckchem.com/products/sulbactam.html

>  <CAS Number> (646)
68373-14-8

$$$$
Pranoprofen.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (647)
1445

>  <Formula> (647)
C15H13NO3

>  <MolWeight> (647)
255.26862

>  <Item Name> (647)
Pranoprofen

>  <Catalog Number> (647)
S1960

>  <Synonyms> (647)
N/A

>  <Target> (647)
Others

>  <Form> (647)
Free Base

>  <URL> (647)
http://www.selleckchem.com/products/pranoprofen.html

>  <CAS Number> (647)
52549-17-4

$$$$
Rimantadine.cdx
csChFnd80/08251616502D

 13 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (648)
1446

>  <Formula> (648)
C12H21N

>  <MolWeight> (648)
179.30184

>  <Item Name> (648)
Rimantadine (Flumadine)

>  <Catalog Number> (648)
S1964

>  <Synonyms> (648)
N/A

>  <Target> (648)
Others

>  <Form> (648)
Free Base

>  <URL> (648)
http://www.selleckchem.com/products/rimantadine-flumadine.html

>  <CAS Number> (648)
13392-28-4

$$$$
Meglumine.cdx
csChFnd80/08251616502D

 13 12  0  0  0  0  0  0  0  0999 V2000
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    6.0664    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    0.0000    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
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  3  4  1  0  0  0  0
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  4 10  1  6  0  0  0
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  5 12  1  6  0  0  0
  7 13  1  1  0  0  0
M  END
>  <Mol_ID> (649)
1447

>  <Formula> (649)
C7H17NO5

>  <MolWeight> (649)
195.21358

>  <Item Name> (649)
Meglumine

>  <Catalog Number> (649)
S1974

>  <Synonyms> (649)
N/A

>  <Target> (649)
Others

>  <Form> (649)
Free Base

>  <URL> (649)
http://www.selleckchem.com/products/meglumine.html

>  <CAS Number> (649)
6284-40-8

$$$$
Diclazuril.cdx
csChFnd80/08251616502D

 26 28  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
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M  END
>  <Mol_ID> (650)
1449

>  <Formula> (650)
C17H9Cl3N4O2

>  <MolWeight> (650)
407.63796

>  <Item Name> (650)
Diclazuril

>  <Catalog Number> (650)
S2028

>  <Synonyms> (650)
N/A

>  <Target> (650)
Others

>  <Form> (650)
Free Base

>  <URL> (650)
http://www.selleckchem.com/products/diclazuril.html

>  <CAS Number> (650)
101831-37-2

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/08251616502D

 32 33  0  0  0  0  0  0  0  0999 V2000
   10.1504    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1504    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.2495    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.2495    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 14  9  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 23  1  0  0  0  0
M  END
>  <Mol_ID> (651)
1450

>  <Formula> (651)
C26H28Cl2F2N2

>  <MolWeight> (651)
477.4167264

>  <Item Name> (651)
Flunarizine 2HCl

>  <Catalog Number> (651)
S2030

>  <Synonyms> (651)
N/A

>  <Target> (651)
Calcium Channel

>  <Form> (651)
2HCl

>  <URL> (651)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (651)
30484-77-6

$$$$
Fenticonazole nitrate.cdx
csChFnd80/08251616502D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    8.4702    5.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (652)
1451

>  <Formula> (652)
C24H21Cl2N3O4S

>  <MolWeight> (652)
518.41224

>  <Item Name> (652)
Fenticonazole nitrate

>  <Catalog Number> (652)
S2031

>  <Synonyms> (652)
N/A

>  <Target> (652)
Others

>  <Form> (652)
Nitrate

>  <URL> (652)
http://www.selleckchem.com/products/fenticonazole-nitrate.html

>  <CAS Number> (652)
73151-29-8

$$$$
Rebamipide.cdx
csChFnd80/08251616502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (653)
1452

>  <Formula> (653)
C19H15ClN2O4

>  <MolWeight> (653)
370.7864

>  <Item Name> (653)
Rebamipide

>  <Catalog Number> (653)
S2032

>  <Synonyms> (653)
N/A

>  <Target> (653)
Others

>  <Form> (653)
Free Base

>  <URL> (653)
http://www.selleckchem.com/products/rebamipide.html

>  <CAS Number> (653)
90098-04-7

$$$$
Bromhexine hydrochloride.cdx
csChFnd80/08251616502D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (654)
1453

>  <Formula> (654)
C14H21Br2ClN2

>  <MolWeight> (654)
412.59094

>  <Item Name> (654)
Bromhexine HCl

>  <Catalog Number> (654)
S2060

>  <Synonyms> (654)
N/A

>  <Target> (654)
Others

>  <Form> (654)
HCl

>  <URL> (654)
http://www.selleckchem.com/products/bromhexine-hydrochloride.html

>  <CAS Number> (654)
611-75-6

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/08251616502D

 30 32  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
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    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (655)
1454

>  <Formula> (655)
C24H36O5

>  <MolWeight> (655)
404.53964

>  <Item Name> (655)
Lovastatin (Mevacor)

>  <Catalog Number> (655)
S2061

>  <Synonyms> (655)
N/A

>  <Target> (655)
HMG-CoA Reductase

>  <Form> (655)
Free Base

>  <URL> (655)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (655)
75330-75-5

$$$$
Tiopronin.cdx
csChFnd80/08251616502D

 10  9  0  0  0  0  0  0  0  0999 V2000
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    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
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M  END
>  <Mol_ID> (656)
1455

>  <Formula> (656)
C5H9NO3S

>  <MolWeight> (656)
163.19486

>  <Item Name> (656)
Tiopronin (Thiola)

>  <Catalog Number> (656)
S2062

>  <Synonyms> (656)
N/A

>  <Target> (656)
Others

>  <Form> (656)
Free Base

>  <URL> (656)
http://www.selleckchem.com/products/tiopronin-thiola.html

>  <CAS Number> (656)
1953-02-2

$$$$
Balofloxacin.cdx
csChFnd80/08251616502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (657)
1457

>  <Formula> (657)
C20H24FN3O4

>  <MolWeight> (657)
389.4206632

>  <Item Name> (657)
Balofloxacin

>  <Catalog Number> (657)
S2064

>  <Synonyms> (657)
N/A

>  <Target> (657)
Others

>  <Form> (657)
Free Base

>  <URL> (657)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (657)
127294-70-6

$$$$
Lafutidine.cdx
csChFnd80/08251616502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (658)
1458

>  <Formula> (658)
C22H29N3O4S

>  <MolWeight> (658)
431.54836

>  <Item Name> (658)
Lafutidine

>  <Catalog Number> (658)
S2065

>  <Synonyms> (658)
N/A

>  <Target> (658)
Histamine Receptor

>  <Form> (658)
Free Base

>  <URL> (658)
http://www.selleckchem.com/products/lafutidine.html

>  <CAS Number> (658)
118288-08-7

$$$$
Moxonidine.cdx
csChFnd80/08251616502D

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    2.4207    5.5927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (659)
1459

>  <Formula> (659)
C9H12ClN5O

>  <MolWeight> (659)
241.67748

>  <Item Name> (659)
Moxonidine

>  <Catalog Number> (659)
S2066

>  <Synonyms> (659)
N/A

>  <Target> (659)
Others

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/moxonidine.html

>  <CAS Number> (659)
75438-57-2

$$$$
Argatroban.cdx
csChFnd80/08251616502D

 36 38  0  0  0  0  0  0  0  0999 V2000
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    6.0453    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4618    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3031    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    9.0879    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
  2  4  2  0  0  0  0
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  6  7  1  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  1  0  0  0  0
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 30 26  1  0  0  0  0
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 14 33  1  6  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
  8 36  1  6  0  0  0
M  END
>  <Mol_ID> (660)
1460

>  <Formula> (660)
C23H36N6O5S

>  <MolWeight> (660)
508.63414

>  <Item Name> (660)
Argatroban

>  <Catalog Number> (660)
S2069

>  <Synonyms> (660)
N/A

>  <Target> (660)
Others

>  <Form> (660)
Free Base

>  <URL> (660)
http://www.selleckchem.com/products/argatroban.html

>  <CAS Number> (660)
74863-84-6

$$$$
Mecarbinate.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    3.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    3.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    5.5714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (661)
1461

>  <Formula> (661)
C13H15NO3

>  <MolWeight> (661)
233.2631

>  <Item Name> (661)
Mecarbinate

>  <Catalog Number> (661)
S2074

>  <Synonyms> (661)
N/A

>  <Target> (661)
Others

>  <Form> (661)
Free Base

>  <URL> (661)
http://www.selleckchem.com/products/mecarbinate.html

>  <CAS Number> (661)
15574-49-9

$$$$
Rosiglitazone hydrochloride.cdx
csChFnd80/08251616502D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (662)
1462

>  <Formula> (662)
C18H20ClN3O3S

>  <MolWeight> (662)
393.8877

>  <Item Name> (662)
Rosiglitazone HCl

>  <Catalog Number> (662)
S2075

>  <Synonyms> (662)
N/A

>  <Target> (662)
PPAR

>  <Form> (662)
HCl

>  <URL> (662)
http://www.selleckchem.com/products/rosiglitazone-hydrochloride.html

>  <CAS Number> (662)
302543-62-0

$$$$
Atorvastatin calcium.cdx
csChFnd80/08251616502D

 83 88  0  0  0  0  0  0  0  0999 V2000
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   18.7029    6.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6598    9.9061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   21.5288   12.1698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.3098   13.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3978   14.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1788   15.8163    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   17.1068    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9503    4.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (663)
1464

>  <Formula> (663)
C66H68CaF2N4O10

>  <MolWeight> (663)
1155.3417264

>  <Item Name> (663)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (663)
S2077

>  <Synonyms> (663)
N/A

>  <Target> (663)
HMG-CoA Reductase

>  <Form> (663)
Calcium 

>  <URL> (663)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (663)
134523-03-8

$$$$
Famotidine.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (664)
1465

>  <Formula> (664)
C8H15N7O2S3

>  <MolWeight> (664)
337.4454

>  <Item Name> (664)
Famotidine (Pepcid)

>  <Catalog Number> (664)
S2078

>  <Synonyms> (664)
N/A

>  <Target> (664)
Histamine Receptor

>  <Form> (664)
Free Base

>  <URL> (664)
http://www.selleckchem.com/products/famotidine-pepcid.html

>  <CAS Number> (664)
76824-35-6

$$$$
Moexipril hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (665)
1466

>  <Formula> (665)
C27H35ClN2O7

>  <MolWeight> (665)
535.029

>  <Item Name> (665)
Moexipril HCl

>  <Catalog Number> (665)
S2079

>  <Synonyms> (665)
N/A

>  <Target> (665)
RAAS

>  <Form> (665)
HCl

>  <URL> (665)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (665)
82586-52-5

$$$$
Cleviprex.cdx
csChFnd80/08251616502D

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    9.6500    6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4428    5.5943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4412    8.3904    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 13 16  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
 11 20  1  0  0  0  0
  9  8  1  0  0  0  0
  8 21  2  0  0  0  0
 19 22  2  0  0  0  0
 15 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
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (666)
1467

>  <Formula> (666)
C21H23Cl2NO6

>  <MolWeight> (666)
456.31642

>  <Item Name> (666)
Cleviprex (Clevidipine)

>  <Catalog Number> (666)
S2080

>  <Synonyms> (666)
N/A

>  <Target> (666)
Calcium Channel

>  <Form> (666)
Free Base

>  <URL> (666)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (666)
167221-71-8

$$$$
Adiphenine hydrochloride.cdx
csChFnd80/08251616502D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.0411    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    9.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301    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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  3 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  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  2  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
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (667)
1469

>  <Formula> (667)
C20H26ClNO2

>  <MolWeight> (667)
347.87894

>  <Item Name> (667)
Adiphenine HCl

>  <Catalog Number> (667)
S2082

>  <Synonyms> (667)
N/A

>  <Target> (667)
Others

>  <Form> (667)
HCl

>  <URL> (667)
http://www.selleckchem.com/products/adiphenine-hcl.html

>  <CAS Number> (667)
50-42-0

$$$$
Rivastigmine tartrate.cdx
csChFnd80/08251616502D

 28 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    1.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.8244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.8244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    3.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1883    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4050    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8299    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.0423    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2547    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0423    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4050    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6174    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8299    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
  1  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  2  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
 15 17  1  0  0  0  0
 14 18  1  6  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
 23 25  2  0  0  0  0
 20 26  2  0  0  0  0
 21 27  1  1  0  0  0
 22 28  1  1  0  0  0
M  END
>  <Mol_ID> (668)
1470

>  <Formula> (668)
C18H28N2O8

>  <MolWeight> (668)
400.42352

>  <Item Name> (668)
Rivastigmine tartrate (Exelon)

>  <Catalog Number> (668)
S2087

>  <Synonyms> (668)
N/A

>  <Target> (668)
AChR

>  <Form> (668)
Tartrate

>  <URL> (668)
http://www.selleckchem.com/products/rivastigmine-tartrate-exelon.html

>  <CAS Number> (668)
129101-54-8

$$$$
Dexmedetomidine hydrochloride.cdx
csChFnd80/08251616502D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.6364    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    3.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    2.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    3.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    5.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    2.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.5254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2157    3.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    4.6177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6963    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
  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
  9 15  1  6  0  0  0
M  END
>  <Mol_ID> (669)
1471

>  <Formula> (669)
C13H17ClN2

>  <MolWeight> (669)
236.74048

>  <Item Name> (669)
Dexmedetomidine HCl (Precedex)

>  <Catalog Number> (669)
S2090

>  <Synonyms> (669)
N/A

>  <Target> (669)
Androgen Receptor

>  <Form> (669)
HCl

>  <URL> (669)
http://www.selleckchem.com/products/dexmedetomidine-hcl-precedex.html

>  <CAS Number> (669)
145108-58-3

$$$$
Ambrisentan.cdx
csChFnd80/08251616502D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    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
    3.6331    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    8.3854    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
  1  4  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  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  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
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 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  3  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (670)
1474

>  <Formula> (670)
C22H22N2O4

>  <MolWeight> (670)
378.42108

>  <Item Name> (670)
Ambrisentan

>  <Catalog Number> (670)
S2097

>  <Synonyms> (670)
N/A

>  <Target> (670)
Others

>  <Form> (670)
Free Base

>  <URL> (670)
http://www.selleckchem.com/products/ambrisentan.html

>  <CAS Number> (670)
177036-94-1

$$$$
Bexarotene.cdx
csChFnd80/08251616502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5124   10.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 13  4  1  0  0  0  0
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 24 25  2  0  0  0  0
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M  END
>  <Mol_ID> (671)
1475

>  <Formula> (671)
C24H28O2

>  <MolWeight> (671)
348.47792

>  <Item Name> (671)
Bexarotene

>  <Catalog Number> (671)
S2098

>  <Synonyms> (671)
N/A

>  <Target> (671)
Others

>  <Form> (671)
Free Base

>  <URL> (671)
http://www.selleckchem.com/products/bexarotene.html

>  <CAS Number> (671)
153559-49-0

$$$$
Temocapril hydrochloride.cdx
csChFnd80/08251616502D

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 16  1  0  0  0  0
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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 28  2  0  0  0  0
M  END
>  <Mol_ID> (672)
1476

>  <Formula> (672)
C23H29ClN2O5S2

>  <MolWeight> (672)
513.06976

>  <Item Name> (672)
Temocapril HCl

>  <Catalog Number> (672)
S2099

>  <Synonyms> (672)
N/A

>  <Target> (672)
RAAS

>  <Form> (672)
HCl

>  <URL> (672)
http://www.selleckchem.com/products/temocapril-hcl.html

>  <CAS Number> (672)
110221-44-8

$$$$
Gabexate mesylate.cdx
csChFnd80/08251616502D

 28 27  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
  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
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M  END
>  <Mol_ID> (673)
1478

>  <Formula> (673)
C17H27N3O7S

>  <MolWeight> (673)
417.47718

>  <Item Name> (673)
Gabexate mesylate

>  <Catalog Number> (673)
S2101

>  <Synonyms> (673)
N/A

>  <Target> (673)
Proteasome

>  <Form> (673)
Mesylate

>  <URL> (673)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (673)
56974-61-9

$$$$
Rasagiline mesylate.cdx
csChFnd80/08251616502D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (674)
1479

>  <Formula> (674)
C13H17NO3S

>  <MolWeight> (674)
267.34398

>  <Item Name> (674)
Rasagiline mesylate

>  <Catalog Number> (674)
S2102

>  <Synonyms> (674)
N/A

>  <Target> (674)
MAO

>  <Form> (674)
Mesylate

>  <URL> (674)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (674)
161735-79-1

$$$$
Flunixin meglumine.cdx
csChFnd80/08251616502D

 34 34  0  0  0  0  0  0  0  0999 V2000
    3.5000    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 17 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 13 17  1  0  0  0  0
 12 21  1  0  0  0  0
 10 11  1  0  0  0  0
  1 10  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 26 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
>  <Mol_ID> (675)
1481

>  <Formula> (675)
C21H28F3N3O7

>  <MolWeight> (675)
491.4581296

>  <Item Name> (675)
Flunixin meglumin

>  <Catalog Number> (675)
S2108

>  <Synonyms> (675)
N/A

>  <Target> (675)
COX

>  <Form> (675)
Meglumin

>  <URL> (675)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (675)
42461-84-7

$$$$
Imidapril.cdx
csChFnd80/08251616502D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0453    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    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  0  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
    7.2578    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4660    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.3854    0.0000 O   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
    4.8371    0.7000    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  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8206    4.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1900    4.6093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    5.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532    6.8621    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7838    3.9669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7574    3.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2433    8.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2065    9.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5701    8.6579    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  2  0  0  0  0
  6  4  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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
 12 14  2  0  0  0  0
 10 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 10  1  0  0  0  0
 11 20  1  6  0  0  0
 13 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 13  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  6  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (676)
1482

>  <Formula> (676)
C20H27N3O6

>  <MolWeight> (676)
405.44488

>  <Item Name> (676)
Imidapril (Tanatril)

>  <Catalog Number> (676)
S2109

>  <Synonyms> (676)
N/A

>  <Target> (676)
RAAS

>  <Form> (676)
Free Base

>  <URL> (676)
http://www.selleckchem.com/products/imidapril-tanatril.html

>  <CAS Number> (676)
89371-37-9

$$$$
Dronedarone hydrochloride.cdx
csChFnd80/08251616502D

 40 41  0  0  0  0  0  0  0  0999 V2000
    3.6289    3.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    1.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2081    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    3.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1165    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    4.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100    1.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6033    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3009    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7009    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    4.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    5.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5935    5.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    4.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    5.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    7.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5935    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    7.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6430    7.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8513    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0595    7.7442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2677    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0595    9.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2719    9.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4844    9.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6926    9.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4759    7.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6842    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8924    7.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7637    2.1394    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  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 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
 31 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
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (677)
1484

>  <Formula> (677)
C31H45ClN2O5S

>  <MolWeight> (677)
593.2174

>  <Item Name> (677)
Dronedarone HCl (Multaq)

>  <Catalog Number> (677)
S2114

>  <Synonyms> (677)
N/A

>  <Target> (677)
Others

>  <Form> (677)
HCl

>  <URL> (677)
http://www.selleckchem.com/products/dronedarone-hcl-multaq.html

>  <CAS Number> (677)
141625-93-6

$$$$
Conivaptan hydrochloride.cdx
csChFnd80/08251616502D

 39 43  0  0  0  0  0  0  0  0999 V2000
    4.8455    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    3.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.4941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2643    3.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6021    4.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1135    5.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4135    6.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292    6.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0029    5.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9527    2.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9790    1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3168    1.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6283    3.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4829    5.7124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6293    7.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3503    7.6742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8375    7.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6012    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  2  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 10  2  0  0  0  0
 10  3  1  0  0  0  0
  4 11  2  0  0  0  0
 11 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  4  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
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 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 23  1  0  0  0  0
 25 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 26  1  0  0  0  0
 27 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 28  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
>  <Mol_ID> (678)
1485

>  <Formula> (678)
C32H27ClN4O2

>  <MolWeight> (678)
535.03538

>  <Item Name> (678)
Conivaptan HCl (Vaprisol)

>  <Catalog Number> (678)
S2116

>  <Synonyms> (678)
N/A

>  <Target> (678)
Others

>  <Form> (678)
HCl

>  <URL> (678)
http://www.selleckchem.com/products/conivaptan-hcl-vaprisol.html

>  <CAS Number> (678)
168626-94-6

$$$$

csChFnd80/08251616502D

 60 59  0  0  0  0  0  0  0  0999 V2000
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   12.1244   10.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9597    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7473    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5348    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3224    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (679)
1486

>  <Formula> (679)
C44H76N4O10S2

>  <MolWeight> (679)
885.22504

>  <Item Name> (679)
Ibutilide fumarate

>  <Catalog Number> (679)
S2118

>  <Synonyms> (679)
N/A

>  <Target> (679)
Sodium Channel

>  <Form> (679)
Fumarate

>  <URL> (679)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (679)
122647-32-9

$$$$
LORELCO (probucol).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (680)
1487

>  <Formula> (680)
C31H48O2S2

>  <MolWeight> (680)
516.84162

>  <Item Name> (680)
Probucol

>  <Catalog Number> (680)
S2119

>  <Synonyms> (680)
N/A

>  <Target> (680)
Others

>  <Form> (680)
Free Base

>  <URL> (680)
http://www.selleckchem.com/products/probucol.html

>  <CAS Number> (680)
23288-49-5

$$$$
Arbidol hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (681)
1488

>  <Formula> (681)
C22H26BrClN2O3S

>  <MolWeight> (681)
513.87544

>  <Item Name> (681)
Arbidol HCl

>  <Catalog Number> (681)
S2120

>  <Synonyms> (681)
N/A

>  <Target> (681)
Others

>  <Form> (681)
HCl

>  <URL> (681)
http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (681)
131707-23-8

$$$$
Licofelone.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (682)
1489

>  <Formula> (682)
C23H22ClNO2

>  <MolWeight> (682)
379.87928

>  <Item Name> (682)
Licofelone

>  <Catalog Number> (682)
S2121

>  <Synonyms> (682)
N/A

>  <Target> (682)
COX

>  <Form> (682)
Free Base

>  <URL> (682)
http://www.selleckchem.com/products/licofelone.html

>  <CAS Number> (682)
156897-06-2

$$$$
Levosimendan.cdx
csChFnd80/08251616502D

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.6000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4249    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
  1  4  3  0  0  0  0
  3  5  3  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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  8 13  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 11 14  1  0  0  0  0
  7  8  1  0  0  0  0
  2  6  2  0  0  0  0
M  END
>  <Mol_ID> (683)
1492

>  <Formula> (683)
C14H12N6O

>  <MolWeight> (683)
280.28468

>  <Item Name> (683)
Levosimendan

>  <Catalog Number> (683)
S2446

>  <Synonyms> (683)
N/A

>  <Target> (683)
Others

>  <Form> (683)
Free Base

>  <URL> (683)
http://www.selleckchem.com/products/levosimendan.html

>  <CAS Number> (683)
141505-33-1

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/08251616502D

 36 40  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  2  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 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 16 19  1  0  0  0  0
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 21 17  1  0  0  0  0
  5 22  1  1  0  0  0
 14 23  1  1  0  0  0
  9 24  1  1  0  0  0
  7 25  1  1  0  0  0
 12 26  1  1  0  0  0
 17 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
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M  END
>  <Mol_ID> (684)
1493

>  <Formula> (684)
C24H30F2O6

>  <MolWeight> (684)
452.4882064

>  <Item Name> (684)
Fluocinolone acetonide (Flucort-N)

>  <Catalog Number> (684)
S2470

>  <Synonyms> (684)
Flucort-N

>  <Target> (684)
Others

>  <Form> (684)
Free Base

>  <URL> (684)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

>  <CAS Number> (684)
67-73-2

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/08251616502D

 22 22  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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    3.6331    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    6.9660    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
  4  7  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (685)
1494

>  <Formula> (685)
C18H23Cl2NO

>  <MolWeight> (685)
340.28732

>  <Item Name> (685)
Phenoxybenzamine HCl

>  <Catalog Number> (685)
S2499

>  <Synonyms> (685)
N/A

>  <Target> (685)
Androgen Receptor

>  <Form> (685)
HCl

>  <URL> (685)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

>  <CAS Number> (685)
63-92-3

$$$$
Propafenone.cdx
csChFnd80/08251616502D

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (686)
1495

>  <Formula> (686)
C21H27NO3

>  <MolWeight> (686)
341.44398

>  <Item Name> (686)
Propafenone (Rytmonorm)

>  <Catalog Number> (686)
S2500

>  <Synonyms> (686)
Rythmol SR, Rytmonorm

>  <Target> (686)
Sodium Channel

>  <Form> (686)
Free Base

>  <URL> (686)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (686)
34183-22-7

$$$$
Roxithromycin.cdx
csChFnd80/08251616502D

 58 60  0  0  0  0  0  0  0  0999 V2000
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    8.4742    8.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2494    9.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897    4.4900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5299    7.9904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7423    8.6904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7423   10.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3174   10.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8897    1.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1022    2.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1022    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8870   11.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5299    6.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1588    8.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8897    0.2948    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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  5 29  1  6  0  0  0
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 27 33  1  0  0  0  0
  9 34  2  0  0  0  0
  7 35  1  0  0  0  0
 36 30  1  1  0  0  0
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 39 40  1  0  0  0  0
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 40 47  1  6  0  0  0
 38 48  1  6  0  0  0
 43 49  1  6  0  0  0
  7 50  1  1  0  0  0
 37 51  1  1  0  0  0
 48 52  1  0  0  0  0
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 44 57  1  1  0  0  0
  1 58  1  0  0  0  0
M  END
>  <Mol_ID> (687)
1496

>  <Formula> (687)
C41H76N2O15

>  <MolWeight> (687)
837.04654

>  <Item Name> (687)
Roxithromycin (Roxl-150)

>  <Catalog Number> (687)
S2506

>  <Synonyms> (687)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (687)
Others

>  <Form> (687)
Free Base

>  <URL> (687)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (687)
80214-83-1

$$$$
Tenoxicam.cdx
csChFnd80/08251616502D

 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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    7.2620    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6288    2.6124    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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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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M  END
>  <Mol_ID> (688)
1497

>  <Formula> (688)
C13H11N3O4S2

>  <MolWeight> (688)
337.37414

>  <Item Name> (688)
Tenoxicam(Mobiflex)

>  <Catalog Number> (688)
S2512

>  <Synonyms> (688)
Mobiflex

>  <Target> (688)
Others

>  <Form> (688)
Free Base

>  <URL> (688)
http://www.selleckchem.com/products/Tenoxicam(Mobiflex).html

>  <CAS Number> (688)
59804-37-4

$$$$
Sulbactam sodium.cdx
csChFnd80/08251616502D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9865    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3865    1.7849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7180    3.6175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (689)
1499

>  <Formula> (689)
C8H10NNaO5S

>  <MolWeight> (689)
255.22347

>  <Item Name> (689)
Sulbactam sodium (Unasyn)

>  <Catalog Number> (689)
S2551

>  <Synonyms> (689)
N/A

>  <Target> (689)
Others

>  <Form> (689)
Sodium

>  <URL> (689)
http://www.selleckchem.com/products/sulbactam-sodium-unasyn.html

>  <CAS Number> (689)
69388-84-7

$$$$
Xylometazoline hydrochloride.cdx
csChFnd80/08251616502D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4927    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
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0927    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    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5879    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
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 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (690)
1501

>  <Formula> (690)
C16H25ClN2

>  <MolWeight> (690)
280.8361

>  <Item Name> (690)
Xylometazoline HCl

>  <Catalog Number> (690)
S2576

>  <Synonyms> (690)
N/A

>  <Target> (690)
Others

>  <Form> (690)
HCl

>  <URL> (690)
http://www.selleckchem.com/products/xylometazoline-hcl.html

>  <CAS Number> (690)
1218-35-5

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/08251616502D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (691)
1503

>  <Formula> (691)
C19H19N3O6

>  <MolWeight> (691)
385.37066

>  <Item Name> (691)
Nilvadipine (ARC029)

>  <Catalog Number> (691)
S2721

>  <Synonyms> (691)
N/A

>  <Target> (691)
Calcium Channel

>  <Form> (691)
Free Base

>  <URL> (691)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (691)
75530-68-6

$$$$
Carbazochrome sodium sulfonate.cdx
csChFnd80/08251616502D

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>  <Target> (692)
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>  <Form> (692)
Sodium

>  <URL> (692)
http://www.selleckchem.com/products/carbazochrome-sodium-sulfonate.html

>  <CAS Number> (692)
51460-26-5

$$$$
RELENZA (zanamivir).cdx
csChFnd80/08251616502D

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1507

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C12H20N4O7

>  <MolWeight> (693)
332.3098

>  <Item Name> (693)
Zanamivir (Relenza)

>  <Catalog Number> (693)
S3007

>  <Synonyms> (693)
139110-80-8

>  <Target> (693)
Others

>  <Form> (693)
Free Base

>  <URL> (693)
http://www.selleckchem.com/products/zanamivir-relenza.html

>  <CAS Number> (693)
139110-80-8

$$$$
Zaltoprofen.cdx
csChFnd80/08251616502D

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C17H14O3S

>  <MolWeight> (694)
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Zaltoprofen

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S3008

>  <Synonyms> (694)
N/A

>  <Target> (694)
COX

>  <Form> (694)
Free Base

>  <URL> (694)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (694)
74711-43-6

$$$$
Pazopanib.cdx
csChFnd80/08251616502D

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C21H23N7O2S

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>  <Item Name> (695)
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>  <Synonyms> (695)
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>  <Target> (695)
VEGFR

>  <Form> (695)
Free Base

>  <URL> (695)
http://www.selleckchem.com/products/pazopanib.html

>  <CAS Number> (695)
444731-52-6

$$$$
amoxicillin.cdx
csChFnd80/08251616502D

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>  <Target> (696)
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Free Base

>  <URL> (696)
http://www.selleckchem.com/products/amoxicillin-amoxycillin.html

>  <CAS Number> (696)
26787-78-0

$$$$
aspirin.cdx
csChFnd80/08251616502D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    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
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    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (697)
1511

>  <Formula> (697)
C9H8O4

>  <MolWeight> (697)
180.15742

>  <Item Name> (697)
Aspirin (Acetylsalicylic acid)

>  <Catalog Number> (697)
S3017

>  <Synonyms> (697)
N/A

>  <Target> (697)
Others

>  <Form> (697)
Free Base

>  <URL> (697)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (697)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/08251616502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (698)
1512

>  <Formula> (698)
C13H9F3N2O2

>  <MolWeight> (698)
282.2179696

>  <Item Name> (698)
Niflumic acid

>  <Catalog Number> (698)
S3018

>  <Synonyms> (698)
N/A

>  <Target> (698)
GABA Receptor

>  <Form> (698)
Free Base

>  <URL> (698)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (698)
4394-00-7

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/08251616502D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (699)
1516

>  <Formula> (699)
C25H35N3O6S

>  <MolWeight> (699)
505.6269

>  <Item Name> (699)
Amprenavir (Agenerase)

>  <Catalog Number> (699)
S1639

>  <Synonyms> (699)
Agenerase

>  <Target> (699)
HIV Protease

>  <Form> (699)
Free Base

>  <URL> (699)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (699)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/08251616502D

 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (700)
1517

>  <Formula> (700)
C29H43N3O8S

>  <MolWeight> (700)
593.73202

>  <Item Name> (700)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (700)
S1620

>  <Synonyms> (700)
Prezista, TMC114

>  <Target> (700)
HIV Protease

>  <Form> (700)
Ethanolate

>  <URL> (700)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (700)
635728-49-3

$$$$
Proparacaine hydrochloride.cdx
csChFnd80/08251616502D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (701)
1518

>  <Formula> (701)
C16H27ClN2O3

>  <MolWeight> (701)
330.85018

>  <Item Name> (701)
Proparacaine HCl

>  <Catalog Number> (701)
S1828

>  <Synonyms> (701)
N/A

>  <Target> (701)
Sodium Channel

>  <Form> (701)
HCl

>  <URL> (701)
http://www.selleckchem.com/products/proparacaine-hcl.html

>  <CAS Number> (701)
5875-06-9

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (702)
1519

>  <Formula> (702)
C18H14N4O5S

>  <MolWeight> (702)
398.39256

>  <Item Name> (702)
Sulfasalazine (Azulfidine)

>  <Catalog Number> (702)
S1576

>  <Synonyms> (702)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (702)
Others

>  <Form> (702)
Free Base

>  <URL> (702)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

>  <CAS Number> (702)
599-79-1

$$$$

csChFnd80/08251616502D

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>  <Mol_ID> (703)
1536

>  <Formula> (703)
C22H23ClKN6O

>  <MolWeight> (703)
462.00892

>  <Item Name> (703)
Losartan potassium

>  <Catalog Number> (703)
S1359

>  <Synonyms> (703)
Cozaar

>  <Target> (703)
RAAS

>  <Form> (703)
Potassium

>  <URL> (703)
http://www.selleckchem.com/products/losartan-potassium.html

>  <CAS Number> (703)
124750-99-8

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/08251616502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (704)
1537

>  <Formula> (704)
C19H22F2N4O3

>  <MolWeight> (704)
392.3997864

>  <Item Name> (704)
Sparfloxacin

>  <Catalog Number> (704)
S1884

>  <Synonyms> (704)
N/A

>  <Target> (704)
Others

>  <Form> (704)
Free Base

>  <URL> (704)
http://www.selleckchem.com/products/sparfloxacin.html

>  <CAS Number> (704)
110871-86-8

$$$$
Tolnaftate.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (705)
1538

>  <Formula> (705)
C19H17NOS

>  <MolWeight> (705)
307.40938

>  <Item Name> (705)
Tolnaftate

>  <Catalog Number> (705)
S2058

>  <Synonyms> (705)
N/A

>  <Target> (705)
Others

>  <Form> (705)
Free Base

>  <URL> (705)
http://www.selleckchem.com/products/tolnaftate.html

>  <CAS Number> (705)
2398-96-1

$$$$
Ozagrel hydrochloride.cdx
csChFnd80/08251616502D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (706)
1539

>  <Formula> (706)
C13H13ClN2O2

>  <MolWeight> (706)
264.70752

>  <Item Name> (706)
Ozagrel HCl 

>  <Catalog Number> (706)
S2067

>  <Synonyms> (706)
N/A

>  <Target> (706)
Others

>  <Form> (706)
HCl 

>  <URL> (706)
http://www.selleckchem.com/products/ozagrel-hydrochloride.html

>  <CAS Number> (706)
78712-43-3

$$$$
Arecoline hydrobromide.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (707)
1540

>  <Formula> (707)
C8H14BrNO2

>  <MolWeight> (707)
236.10626

>  <Item Name> (707)
Arecoline

>  <Catalog Number> (707)
S2614

>  <Synonyms> (707)
N/A

>  <Target> (707)
AChR

>  <Form> (707)
HBr

>  <URL> (707)
http://www.selleckchem.com/products/arecoline.html

>  <CAS Number> (707)
300-08-3 

$$$$
aicar.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (708)
1545

>  <Formula> (708)
C9H14N4O5

>  <MolWeight> (708)
258.23126

>  <Item Name> (708)
AICAR (Acadesine)

>  <Catalog Number> (708)
S1802

>  <Synonyms> (708)
AICAR, AICA-riboside

>  <Target> (708)
AMPK

>  <Form> (708)
Free Base

>  <URL> (708)
http://www.selleckchem.com/products/Acadesine.html

>  <CAS Number> (708)
2627-69-2

$$$$
Cobicistat (GS-9350).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (709)
1547

>  <Formula> (709)
C40H53N7O5S2

>  <MolWeight> (709)
776.02272

>  <Item Name> (709)
Cobicistat (GS-9350)

>  <Catalog Number> (709)
S2900

>  <Synonyms> (709)
N/A

>  <Target> (709)
P450 (e.g. CYP17)

>  <Form> (709)
Free Base

>  <URL> (709)
http://www.selleckchem.com/products/cobicistat-gs-9350.html

>  <CAS Number> (709)
1004316-88-4

$$$$
Pergolide mesylate salt.cdx
csChFnd80/08251616502D

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 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 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> (710)
1552

>  <Formula> (710)
C20H30N2O3S2

>  <MolWeight> (710)
410.5938

>  <Item Name> (710)
Pergolide mesylate

>  <Catalog Number> (710)
S4000

>  <Synonyms> (710)
N/A

>  <Target> (710)
Dopamine Receptor

>  <Form> (710)
Mesylate

>  <URL> (710)
http://www.selleckchem.com/products/Pergolide-mesylate.html

>  <CAS Number> (710)
66104-23-2

$$$$
Clindamycin.cdx
csChFnd80/08251616502D

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    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
    3.6331    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 C   0  0  2  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
    4.8455    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 O   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7576    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6944    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9944    4.4810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6250    4.1899    0.0000 C   0  0  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
    0.0000    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9493    5.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    7.1759    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  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> (711)
1564

>  <Formula> (711)
C18H33ClN2O5S

>  <MolWeight> (711)
424.98302

>  <Item Name> (711)
Clindamycin

>  <Catalog Number> (711)
S2830

>  <Synonyms> (711)
N/A

>  <Target> (711)
Others

>  <Form> (711)
Free Base

>  <URL> (711)
http://www.selleckchem.com/products/clindamycin.html

>  <CAS Number> (711)
18323-44-9

$$$$
PF-05208749.cdx
csChFnd80/08251616502D

 36 39  0  0  0  0  0  0  0  0999 V2000
   10.9625    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1376    7.0899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3606    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1376    9.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8040    7.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5706    5.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0510    7.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0510    9.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8040    8.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5706   10.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5930    6.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6346    4.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4549    7.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4432    9.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5872    9.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    7.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2658    5.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0676    3.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1510    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    8.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3298    3.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1373    2.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5550    8.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1713    9.6171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7626    2.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8266    1.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4578    1.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5218    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1531    1.1350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988    0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8137    2.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9566    3.2996    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
  5  9  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 22 25  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (712)
1566

>  <Formula> (712)
C30H35ClN2O3

>  <MolWeight> (712)
507.0635

>  <Item Name> (712)
Bazedoxifene HCl

>  <Catalog Number> (712)
S2128

>  <Synonyms> (712)
PF-05208749 HCl

>  <Target> (712)
Estrogen/progestin receptor

>  <Form> (712)
Free Base

>  <URL> (712)
http://www.selleckchem.com/products/bazedoxifene-hcl.html

>  <CAS Number> (712)
198480-56-7

$$$$
acebutolol hydrochloride.cdx
csChFnd80/08251616502D

 25 24  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.5240    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2458    0.0000    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  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (713)
1569

>  <Formula> (713)
C18H29ClN2O4

>  <MolWeight> (713)
372.88686

>  <Item Name> (713)
Acebutolol HCl

>  <Catalog Number> (713)
S4010

>  <Synonyms> (713)
N/A

>  <Target> (713)
Adrenergic Receptor

>  <Form> (713)
HCl

>  <URL> (713)
http://www.selleckchem.com/products/acebutolol-hcl.html

>  <CAS Number> (713)
34381-68-5

$$$$
Ampiroxicam.cdx
csChFnd80/08251616502D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2715    3.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0651    3.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    5.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016    3.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0651    1.7573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    5.9557    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2723    1.0764    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016    1.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    1.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    3.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4834    7.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6956    5.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1675    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3748    0.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4289    3.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6959    8.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    3.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    5.2955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9083    7.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6959    9.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    5.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1207    8.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3332    7.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 10 19  2  0  0  0  0
 11 20  2  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (714)
1570

>  <Formula> (714)
C20H21N3O7S

>  <MolWeight> (714)
447.46164

>  <Item Name> (714)
Ampiroxicam

>  <Catalog Number> (714)
S4011

>  <Synonyms> (714)
N/A

>  <Target> (714)
COX

>  <Form> (714)
Free Base

>  <URL> (714)
http://www.selleckchem.com/products/ampiroxicam.html

>  <CAS Number> (714)
99464-64-9

$$$$
Lithocholic acid.cdx
csChFnd80/08251616502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (715)
1573

>  <Formula> (715)
C24H40O3

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376.5726

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Lithocholic acid

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S4003

>  <Synonyms> (715)
N/A

>  <Target> (715)
Others

>  <Form> (715)
Free Base

>  <URL> (715)
http://www.selleckchem.com/products/lithocholic-acid.html

>  <CAS Number> (715)
434-13-9

$$$$
Mirabegron.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (716)
1574

>  <Formula> (716)
C21H24N4O2S

>  <MolWeight> (716)
396.50586

>  <Item Name> (716)
Mirabegron (YM178)

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S4009

>  <Synonyms> (716)
N/A

>  <Target> (716)
Adrenergic Receptor

>  <Form> (716)
Free Base

>  <URL> (716)
http://www.selleckchem.com/products/mirabegron-ym178.html

>  <CAS Number> (716)
223673-61-8

$$$$
Allylthiourea.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (717)
1577

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C4H8N2S

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S4017

>  <Synonyms> (717)
N/A

>  <Target> (717)
Others

>  <Form> (717)
Free Base

>  <URL> (717)
http://www.selleckchem.com/products/allylthiourea.html

>  <CAS Number> (717)
109-57-9

$$$$
Hyoscyamine (L).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (718)
1579

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C17H23NO3

>  <MolWeight> (718)
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Hyoscyamine (Daturine)

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S4014

>  <Synonyms> (718)
N/A

>  <Target> (718)
AChR

>  <Form> (718)
Free Base

>  <URL> (718)
http://www.selleckchem.com/products/hyoscyamine-daturine.html

>  <CAS Number> (718)
101-31-5

$$$$
Avanafil.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (719)
1585

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C23H26ClN7O3

>  <MolWeight> (719)
483.95064

>  <Item Name> (719)
Avanafil

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S4019

>  <Synonyms> (719)
N/A

>  <Target> (719)
PDE

>  <Form> (719)
Free Base

>  <URL> (719)
http://www.selleckchem.com/products/avanafil.html

>  <CAS Number> (719)
330784-47-9

$$$$
BENEMID (probenecid).cdx
csChFnd80/08251616502D

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    7.2536    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    5.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1329    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5329    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
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 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (720)
1587

>  <Formula> (720)
C13H19NO4S

>  <MolWeight> (720)
285.35926

>  <Item Name> (720)
Probenecid (Benemid) 

>  <Catalog Number> (720)
S4022

>  <Synonyms> (720)
Probalan

>  <Target> (720)
Others

>  <Form> (720)
Free Base

>  <URL> (720)
http://www.selleckchem.com/products/probenecid-benemid.html

>  <CAS Number> (720)
57-66-9

$$$$
procaine hydrochloride.cdx
csChFnd80/08251616502D

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.5838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.6837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    3.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1241    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5179    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (721)
1588

>  <Formula> (721)
C13H21ClN2O2

>  <MolWeight> (721)
272.77104

>  <Item Name> (721)
Procaine (Novocaine) HCl

>  <Catalog Number> (721)
S4023

>  <Synonyms> (721)
N/A

>  <Target> (721)
Sodium Channel

>  <Form> (721)
HCl

>  <URL> (721)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (721)
51-05-8

$$$$
Sodium picosulfate.cdx
csChFnd80/08251616502D

 31 31  0  0  0  0  0  0  0  0999 V2000
    8.2605    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0481    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4729    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2605    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8356    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0481    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6854    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4729    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4729    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0481    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6232    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8356    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8978    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6854    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0481    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8978    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1103    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3227    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8983    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9859    1.9124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.0227    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6227    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5351    1.9124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.5122    3.4127    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4127    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  2  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <Mol_ID> (722)
1591

>  <Formula> (722)
C18H13NNa2O8S2

>  <MolWeight> (722)
481.40726

>  <Item Name> (722)
Sodium Picosulfate

>  <Catalog Number> (722)
S4020

>  <Synonyms> (722)
Sodium Picosulphate

>  <Target> (722)
Others

>  <Form> (722)
Sodium Salt

>  <URL> (722)
http://www.selleckchem.com/products/sodium-picosulfate.html

>  <CAS Number> (722)
10040-45-6

$$$$
Tolcapone.cdx
csChFnd80/08251616502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    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    4.2000    0.0000 N   0  3  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
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (723)
1592

>  <Formula> (723)
C14H11NO5

>  <MolWeight> (723)
273.24084

>  <Item Name> (723)
Tolcapone

>  <Catalog Number> (723)
S4021

>  <Synonyms> (723)
N/A

>  <Target> (723)
Transferase

>  <Form> (723)
Free Base

>  <URL> (723)
http://www.selleckchem.com/products/tolcapone.html

>  <CAS Number> (723)
134308-13-7

$$$$
methazolamide.cdx
csChFnd80/08251616502D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.9448    1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.9534    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5055    3.1395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2764    1.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545    1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    3.1395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3229    4.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664    2.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272    1.3272    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6187    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040    3.6837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8818    2.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (724)
1595

>  <Formula> (724)
C5H8N4O3S2

>  <MolWeight> (724)
236.27202

>  <Item Name> (724)
Methazolamide

>  <Catalog Number> (724)
S4039

>  <Synonyms> (724)
N/A

>  <Target> (724)
Carbonic Anhydrase

>  <Form> (724)
Free Base

>  <URL> (724)
http://www.selleckchem.com/products/methazolamide.html

>  <CAS Number> (724)
554-57-4

$$$$
Nabumetone.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 C   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
    4.9000    1.2124    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
    2.8000    2.4249    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    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 O   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
  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  1  0  0  0  0
 13 15  2  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (725)
1600

>  <Formula> (725)
C15H16O2

>  <MolWeight> (725)
228.28634

>  <Item Name> (725)
Nabumetone

>  <Catalog Number> (725)
S4051

>  <Synonyms> (725)
Arthaxan, Relafen

>  <Target> (725)
COX

>  <Form> (725)
Free Base

>  <URL> (725)
http://www.selleckchem.com/products/nabumetone.html

>  <CAS Number> (725)
42924-53-8

$$$$
sertraline hydrochloride.cdx
csChFnd80/08251616502D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4331    7.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  2  1  0  0  0  0
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 17  8  1  0  0  0  0
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M  END
>  <Mol_ID> (726)
1602

>  <Formula> (726)
C17H18Cl3N

>  <MolWeight> (726)
342.69052

>  <Item Name> (726)
Sertraline HCl

>  <Catalog Number> (726)
S4053

>  <Synonyms> (726)
N/A

>  <Target> (726)
5-HT Receptor

>  <Form> (726)
HCl

>  <URL> (726)
http://www.selleckchem.com/products/sertraline-hcl.html

>  <CAS Number> (726)
79559-97-0

$$$$
methyclothiazide.cdx
csChFnd80/08251616502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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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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 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
  1 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (727)
1612

>  <Formula> (727)
C9H11Cl2N3O4S2

>  <MolWeight> (727)
360.23734

>  <Item Name> (727)
Methyclothiazide

>  <Catalog Number> (727)
S4057

>  <Synonyms> (727)
N/A

>  <Target> (727)
Others

>  <Form> (727)
Free Base

>  <URL> (727)
http://www.selleckchem.com/products/methyclothiazide.html

>  <CAS Number> (727)
135-07-9

$$$$
retapamulin.cdx
csChFnd80/08251616502D

 39 43  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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  1  5  1  0  0  0  0
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 18 15  1  6  0  0  0
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M  END
>  <Mol_ID> (728)
1613

>  <Formula> (728)
C30H47NO4S

>  <MolWeight> (728)
517.76348

>  <Item Name> (728)
Retapamulin

>  <Catalog Number> (728)
S4056

>  <Synonyms> (728)
N/A

>  <Target> (728)
Others

>  <Form> (728)
Free Base

>  <URL> (728)
http://www.selleckchem.com/products/retapamulin.html

>  <CAS Number> (728)
224452-66-8

$$$$
ronidazole.cdx
csChFnd80/08251616502D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4119    6.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4226    8.7170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2854    4.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1791    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892    2.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (729)
1614

>  <Formula> (729)
C6H8N4O4

>  <MolWeight> (729)
200.15212

>  <Item Name> (729)
Ronidazole

>  <Catalog Number> (729)
S4062

>  <Synonyms> (729)
N/A

>  <Target> (729)
Others

>  <Form> (729)
Free Base

>  <URL> (729)
http://www.selleckchem.com/products/ronidazole.html

>  <CAS Number> (729)
7681-76-7

$$$$
ropivacaine hydrochloride.cdx
csChFnd80/08251616502D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (730)
1615

>  <Formula> (730)
C17H27ClN2O

>  <MolWeight> (730)
310.86208

>  <Item Name> (730)
Ropivacaine HCl

>  <Catalog Number> (730)
S4058

>  <Synonyms> (730)
N/A

>  <Target> (730)
Others

>  <Form> (730)
HCl

>  <URL> (730)
http://www.selleckchem.com/products/ropivacaine-hcl.html

>  <CAS Number> (730)
98717-15-8

$$$$
Vitamin D3.cdx
csChFnd80/08251616502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    3.6289    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.9686   10.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6174   11.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997   11.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7644   12.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955   13.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2090   14.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5601   13.6713    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
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 12  1  0  0  0  0
 12 19  1  1  0  0  0
 11 20  1  6  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  6  0  0  0
 22 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
  2 29  1  6  0  0  0
M  END
>  <Mol_ID> (731)
1616

>  <Formula> (731)
C27H44O

>  <MolWeight> (731)
384.63766

>  <Item Name> (731)
Vitamin D3 (Cholecalciferol)

>  <Catalog Number> (731)
S4063

>  <Synonyms> (731)
N/A

>  <Target> (731)
Others

>  <Form> (731)
Free Base

>  <URL> (731)
http://www.selleckchem.com/products/vitamin-d3-cholecalciferol.html

>  <CAS Number> (731)
67-97-0

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/08251616502D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    5.8901    3.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9284    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    5.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216    2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2620    3.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    5.5947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.6216    5.1621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4445    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6216    7.4273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6570    6.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813    5.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711    4.2119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    7.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1175    9.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4237    9.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8563   10.3814    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    1.5545    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  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
  5 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
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 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 12  1  6  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  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 20  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  1  0  0  0
 19 27  1  1  0  0  0
 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> (732)
1618

>  <Formula> (732)
C21H23N2NaO6S

>  <MolWeight> (732)
454.47189

>  <Item Name> (732)
Nafcillin Sodium

>  <Catalog Number> (732)
S4042

>  <Synonyms> (732)
N/A

>  <Target> (732)
Others

>  <Form> (732)
Free Base

>  <URL> (732)
http://www.selleckchem.com/products/nafcillin-sodium.html

>  <CAS Number> (732)
7177-50-6

$$$$
norethindrone.cdx
csChFnd80/08251616502D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2768    2.8008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2768    4.1994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0626    2.0998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6110    2.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6110    4.6321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0626    4.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    5.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    2.8008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0626    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4326    3.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4186    6.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8212    5.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8526    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2290    7.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0117    3.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 23  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 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
 14 26  1  1  0  0  0
 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> (733)
1619

>  <Formula> (733)
C20H26O2

>  <MolWeight> (733)
298.41924

>  <Item Name> (733)
Norethindrone (Norethisterone)

>  <Catalog Number> (733)
S4040

>  <Synonyms> (733)
N/A

>  <Target> (733)
Others

>  <Form> (733)
Free Base

>  <URL> (733)
http://www.selleckchem.com/products/norethindrone-norethisterone.html

>  <CAS Number> (733)
68-22-4

$$$$
olsalazine sodium.cdx
csChFnd80/08251616502D

 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
    4.1951    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    4.9040    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
    9.7879    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    1.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    0.0627    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.4854    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    4.9040    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7879    6.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
  6 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 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> (734)
1620

>  <Formula> (734)
C14H8N2Na2O6

>  <MolWeight> (734)
346.20266

>  <Item Name> (734)
Olsalazine Sodium

>  <Catalog Number> (734)
S4041

>  <Synonyms> (734)
N/A

>  <Target> (734)
Others

>  <Form> (734)
Free Base

>  <URL> (734)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (734)
6054-98-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/08251616502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.9656    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656    3.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    2.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    2.2152    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5579    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926    0.0165    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
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  4  1  0  0  0  0
  2  6  1  0  0  0  0
  6  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  6  1  0  0  0  0
  7 12  2  0  0  0  0
 13 14  2  0  0  0  0
 15  8  2  0  0  0  0
  8  7  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (735)
1621

>  <Formula> (735)
C13H17ClN2

>  <MolWeight> (735)
236.74048

>  <Item Name> (735)
Tetrahydrozoline HCl

>  <Catalog Number> (735)
S4043

>  <Synonyms> (735)
N/A

>  <Target> (735)
Adrenergic Receptor

>  <Form> (735)
Free Base

>  <URL> (735)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (735)
522-48-5

$$$$
Toltrazuril.cdx
csChFnd80/08251616502D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
  7  8  2  0  0  0  0
  9  2  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  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  2  0  0  0  0
 14  8  1  0  0  0  0
  5 15  1  0  0  0  0
 12 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 20  1  0  0  0  0
 23 26  2  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
 25 29  2  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
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (736)
1622

>  <Formula> (736)
C18H14F3N3O4S

>  <MolWeight> (736)
425.3816696

>  <Item Name> (736)
Toltrazuril

>  <Catalog Number> (736)
S4044

>  <Synonyms> (736)
N/A

>  <Target> (736)
Others

>  <Form> (736)
Free Base

>  <URL> (736)
http://www.selleckchem.com/products/toltrazuril.html

>  <CAS Number> (736)
69004-03-1

$$$$
Pentamidine hcl.cdx
csChFnd80/08251616502D

 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
   14.0515    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.2018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2018    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9893    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9893    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7769    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5644    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7769    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7561   19.1227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   19.1227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  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
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 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> (737)
1623

>  <Formula> (737)
C19H26Cl2N4O2

>  <MolWeight> (737)
413.34134

>  <Item Name> (737)
Pentamidine isethionate

>  <Catalog Number> (737)
S4007

>  <Synonyms> (737)
N/A

>  <Target> (737)
Others

>  <Form> (737)
isethionate

>  <URL> (737)
http://www.selleckchem.com/products/pentamidine.html

>  <CAS Number> (737)
140-64-7

$$$$
Dibucaine HCL.cdx
csChFnd80/08251616502D

 26 26  0  0  0  0  0  0  0  0999 V2000
    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
    2.4248    6.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    4.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8572    5.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6562    3.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    7.3969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    7.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    2.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    2.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    7.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0810    3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5059    3.2232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4983    4.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    2.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9080    7.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7069    5.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9307    3.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3136    0.0000    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  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 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> (738)
1624

>  <Formula> (738)
C20H30ClN3O2

>  <MolWeight> (738)
379.9241

>  <Item Name> (738)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (738)
S4038

>  <Synonyms> (738)
N/A

>  <Target> (738)
Sodium Channel

>  <Form> (738)
Free Base

>  <URL> (738)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (738)
61-12-1

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/08251616502D

 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
    7.6037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0286    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.0286    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4914    8.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2912    8.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3434    6.0237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3534    5.0338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545    7.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3344    5.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333    7.0137    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (739)
1625

>  <Formula> (739)
C21H27NO4S

>  <MolWeight> (739)
389.50838

>  <Item Name> (739)
Diphemanil Methylsulfate

>  <Catalog Number> (739)
S4034

>  <Synonyms> (739)
N/A

>  <Target> (739)
AChR

>  <Form> (739)
Methylsulfate

>  <URL> (739)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (739)
62-97-5

$$$$
Doxapram HCl.cdx
csChFnd80/08251616502D

 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
    7.5658    2.8126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.4960    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1963    3.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    5.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6533    4.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6313    6.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4577    5.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    5.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    4.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1333    1.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    6.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    4.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    5.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    7.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3313    7.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314    6.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7366    5.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3114    7.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3132    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    7.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8693    6.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (740)
1626

>  <Formula> (740)
C24H33ClN2O3

>  <MolWeight> (740)
432.98342

>  <Item Name> (740)
Doxapram HCl

>  <Catalog Number> (740)
S4037

>  <Synonyms> (740)
N/A

>  <Target> (740)
Others

>  <Form> (740)
HCl

>  <URL> (740)
http://www.selleckchem.com/products/doxapram-hcl.html

>  <CAS Number> (740)
7081-53-0

$$$$
Vitamin D2.cdx
csChFnd80/08251616502D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8446    8.4123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (741)
1627

>  <Formula> (741)
C28H44O

>  <MolWeight> (741)
396.64836

>  <Item Name> (741)
Vitamin D2 (Ergocalciferol)

>  <Catalog Number> (741)
S4035

>  <Synonyms> (741)
N/A

>  <Target> (741)
Others

>  <Form> (741)
Free Base

>  <URL> (741)
http://www.selleckchem.com/products/vitamin-d2-ergocalciferol.html

>  <CAS Number> (741)
50-14-6

$$$$
Dicloxacillin sodium.cdx
csChFnd80/08251616502D

 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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M  END
>  <Mol_ID> (742)
1632

>  <Formula> (742)
C19H18Cl2N3NaO6S

>  <MolWeight> (742)
510.32349

>  <Item Name> (742)
Dicloxacillin Sodium

>  <Catalog Number> (742)
S4111

>  <Synonyms> (742)
Diclocil

>  <Target> (742)
Others

>  <Form> (742)
Sodium Salt

>  <URL> (742)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (742)
13412-64-1

$$$$
Aminosalicylate sodium.cdx
csChFnd80/08251616502D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.2103    2.0976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (743)
1640

>  <Formula> (743)
C7H6NNaO3

>  <MolWeight> (743)
175.11721

>  <Item Name> (743)
Aminosalicylate Sodium

>  <Catalog Number> (743)
S4073

>  <Synonyms> (743)
PAS Sodium

>  <Target> (743)
NF-¦ÊB

>  <Form> (743)
Sodium

>  <URL> (743)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

>  <CAS Number> (743)
133-10-8

$$$$

csChFnd80/08251616502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7018    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 22  1  0  0  0  0
M  END
>  <Mol_ID> (744)
1641

>  <Formula> (744)
C16H14N2O3S

>  <MolWeight> (744)
314.35896

>  <Item Name> (744)
Valdecoxib

>  <Catalog Number> (744)
S4049

>  <Synonyms> (744)
SC-65872, YM-974

>  <Target> (744)
COX

>  <Form> (744)
Free Base

>  <URL> (744)
http://www.selleckchem.com/products/valdecoxib.html

>  <CAS Number> (744)
181695-72-7

$$$$
Bisacodyl.cdx
csChFnd80/08251616502D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.2578    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3073    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    6.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401    6.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  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 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  8 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27  8  1  0  0  0  0
M  END
>  <Mol_ID> (745)
1642

>  <Formula> (745)
C22H19NO4

>  <MolWeight> (745)
361.39056

>  <Item Name> (745)
Bisacodyl

>  <Catalog Number> (745)
S4047

>  <Synonyms> (745)
N/A

>  <Target> (745)
Others

>  <Form> (745)
Free Base

>  <URL> (745)
http://www.selleckchem.com/products/bisacodyl.html

>  <CAS Number> (745)
30652-11-0

$$$$
Carbimazole.cdx
csChFnd80/08251616502D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.5661    3.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    2.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7026    1.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6475    2.5805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402    3.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0398    2.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    0.1676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    4.1943    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  2  0  0  0  0
  4  6  1  0  0  0  0
  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> (746)
1643

>  <Formula> (746)
C7H10N2O2S

>  <MolWeight> (746)
186.2315

>  <Item Name> (746)
Carbimazole

>  <Catalog Number> (746)
S4048

>  <Synonyms> (746)
N/A

>  <Target> (746)
Others

>  <Form> (746)
Free Base

>  <URL> (746)
http://www.selleckchem.com/products/carbimazole.html

>  <CAS Number> (746)
22232-54-8

$$$$
Decamethonium bromide.cdx
csChFnd80/08251616502D

 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> (747)
1644

>  <Formula> (747)
C16H38Br2N2

>  <MolWeight> (747)
418.29432

>  <Item Name> (747)
Decamethonium Bromide

>  <Catalog Number> (747)
S4072

>  <Synonyms> (747)
Syncurine

>  <Target> (747)
AChR

>  <Form> (747)
Bromide

>  <URL> (747)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (747)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/08251616502D

 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> (748)
1645

>  <Formula> (748)
C26H36O3

>  <MolWeight> (748)
396.56224

>  <Item Name> (748)
Estradiol Cypionate

>  <Catalog Number> (748)
S4046

>  <Synonyms> (748)
N/A

>  <Target> (748)
Estrogen/progestogen Receptor

>  <Form> (748)
Free Base

>  <URL> (748)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (748)
313-06-4

$$$$
Guanidine HCl.cdx
csChFnd80/08251616502D

  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> (749)
1647

>  <Formula> (749)
CH6ClN3

>  <MolWeight> (749)
95.53144

>  <Item Name> (749)
Guanidine (Aminoformamidine) HCl

>  <Catalog Number> (749)
S4070

>  <Synonyms> (749)
N/A

>  <Target> (749)
Others

>  <Form> (749)
HCl

>  <URL> (749)
http://www.selleckchem.com/products/guanidine-aminoformamidine-hcl.html

>  <CAS Number> (749)
50-01-1

$$$$
Mefenamic acid.cdx
csChFnd80/08251616502D

 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> (750)
1649

>  <Formula> (750)
C15H15NO2

>  <MolWeight> (750)
241.2851

>  <Item Name> (750)
Mefenamic Acid

>  <Catalog Number> (750)
S4078

>  <Synonyms> (750)
N/A

>  <Target> (750)
COX

>  <Form> (750)
Free Base

>  <URL> (750)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (750)
61-68-7

$$$$
Mequinol.cdx
csChFnd80/08251616502D

  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> (751)
1650

>  <Formula> (751)
C7H8O2

>  <MolWeight> (751)
124.13722

>  <Item Name> (751)
Mequinol

>  <Catalog Number> (751)
S4077

>  <Synonyms> (751)
N/A

>  <Target> (751)
Others

>  <Form> (751)
Free Base

>  <URL> (751)
http://www.selleckchem.com/products/mequinol.html

>  <CAS Number> (751)
150-76-5

$$$$
Propranolol HCl.cdx
csChFnd80/08251616502D

 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
    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 O   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  3  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
    6.0538    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8075    1.7063    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  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
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (752)
1651

>  <Formula> (752)
C16H22ClNO2

>  <MolWeight> (752)
295.80438

>  <Item Name> (752)
Propranolol HCl

>  <Catalog Number> (752)
S4076

>  <Synonyms> (752)
N/A

>  <Target> (752)
Adrenergic Receptor

>  <Form> (752)
HCl

>  <URL> (752)
http://www.selleckchem.com/products/propranolol-hcl.html

>  <CAS Number> (752)
318-98-9

$$$$
Sodium nitrite.cdx
csChFnd80/08251616502D

  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> (753)
1652

>  <Formula> (753)
NNaO2

>  <MolWeight> (753)
68.99527

>  <Item Name> (753)
Sodium Nitrite

>  <Catalog Number> (753)
S4074

>  <Synonyms> (753)
N/A

>  <Target> (753)
Others

>  <Form> (753)
Sodium Salt

>  <URL> (753)
http://www.selleckchem.com/products/sodium-nitrite.html

>  <CAS Number> (753)
7632-00-0

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/08251616502D

 26 26  0  0  0  0  0  0  0  0999 V2000
   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
   13.0090    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7965    2.3905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5841    3.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    3.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    2.3905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    4.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592    3.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592    4.4905    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3717    5.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    6.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9468    5.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344    4.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5219    5.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    6.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    6.8739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.6615    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2430    4.6211    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9368    5.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    4.0389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    2.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    3.2896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    1.6671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7869    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  5  7  1  0  0  0  0
  5  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
 10 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  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
 18 20  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 19  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (754)
1654

>  <Formula> (754)
C14H25ClN6O5

>  <MolWeight> (754)
392.8385

>  <Item Name> (754)
Valganciclovir Hydrochloride

>  <Catalog Number> (754)
S4050

>  <Synonyms> (754)
N/A

>  <Target> (754)
Others

>  <Form> (754)
Hydrochloride

>  <URL> (754)
http://www.selleckchem.com/products/valganciclovir-hcl.html

>  <CAS Number> (754)
175865-59-5

$$$$
Escitalopram oxalate.cdx
csChFnd80/08251616502D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.9597    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6597    4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0597    4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7597    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0597    6.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6597    6.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7229    7.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4439    7.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    5.8026    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4445    4.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    7.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    7.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    4.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8026    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4273    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5560    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8305    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4102    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1548    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500    5.5115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3144   11.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   11.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   13.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350   11.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350    9.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9432   11.8737    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  1  1  0  0  0  0
  9 10  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 10 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
  4 23  1  0  0  0  0
 23 24  3  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (755)
1656

>  <Formula> (755)
C22H23FN2O5

>  <MolWeight> (755)
414.4268232

>  <Item Name> (755)
Escitalopram Oxalate

>  <Catalog Number> (755)
S4064

>  <Synonyms> (755)
S-(+)-Citalopram Oxalate

>  <Target> (755)
5-HT Receptor

>  <Form> (755)
Oxalate

>  <URL> (755)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (755)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/08251616502D

 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
    2.4333    4.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    6.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8582    5.6780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    6.3780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6458    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4333    2.1024    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
  4  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
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (756)
1657

>  <Formula> (756)
C10H12Cl2N4O2

>  <MolWeight> (756)
291.13388

>  <Item Name> (756)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (756)
S4065

>  <Synonyms> (756)
N/A

>  <Target> (756)
Adrenergic Receptor

>  <Form> (756)
Acetate

>  <URL> (756)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (756)
23256-50-0

$$$$
tinidazole.cdx
csChFnd80/08251616502D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619    2.4680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361    3.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687    4.9361    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1381    5.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    5.9260    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7687    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5619    2.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2619    3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    3.6805    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    5.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8743    5.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    2.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619    3.6805    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  1  2  0  0  0  0
  5  6  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
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (757)
1659

>  <Formula> (757)
C8H13N3O4S

>  <MolWeight> (757)
247.27152

>  <Item Name> (757)
Tinidazole

>  <Catalog Number> (757)
S4068

>  <Synonyms> (757)
N/A

>  <Target> (757)
S4068

>  <Form> (757)
Free Base

>  <URL> (757)
http://www.selleckchem.com/products/tinidazole.html

>  <CAS Number> (757)
19387-91-8

$$$$
OCUSULF-10 (sulfacetamide sodium).cdx
csChFnd80/08251616502D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.4330    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    7.2620    3.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4083    0.0000    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
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  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  2  0  0  0  0
M  END
>  <Mol_ID> (758)
1660

>  <Formula> (758)
C8H9N2NaO3S

>  <MolWeight> (758)
236.22343

>  <Item Name> (758)
Sulfacetamide Sodium

>  <Catalog Number> (758)
S4081

>  <Synonyms> (758)
N/A

>  <Target> (758)
Autophagy

>  <Form> (758)
Sodium

>  <URL> (758)
http://www.selleckchem.com/products/sulfacetamide-sodium.html

>  <CAS Number> (758)
127-56-0

$$$$
Ticagrelor.cdx
csChFnd80/08251616502D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    9.7865    6.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5741    5.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3193    8.8300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5112    6.5413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0400    5.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2569    4.2119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.9322    9.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0958    0.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  1  0  0  0
  4  2  2  0  0  0  0
  8  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  6  4  1  0  0  0  0
 12  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
  9  7  2  0  0  0  0
 14  8  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  1  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
 11 18  1  6  0  0  0
 13 11  1  0  0  0  0
 17 12  1  0  0  0  0
 12 26  1  6  0  0  0
 24 14  1  0  0  0  0
 19 15  1  0  0  0  0
 17 27  1  6  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 23 18  1  0  0  0  0
 19 29  1  1  0  0  0
 21 20  1  0  0  0  0
 28 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 25  1  0  0  0  0
 30 22  1  0  0  0  0
 25 23  2  0  0  0  0
 32 24  1  0  0  0  0
 33 29  1  0  0  0  0
 31 34  1  0  0  0  0
 35 32  1  0  0  0  0
 34 33  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
>  <Mol_ID> (759)
1661

>  <Formula> (759)
C23H28F2N6O4S

>  <MolWeight> (759)
522.5680264

>  <Item Name> (759)
Ticagrelor

>  <Catalog Number> (759)
S4079

>  <Synonyms> (759)
AZD6140

>  <Target> (759)
P2 Receptor

>  <Form> (759)
Free Base

>  <URL> (759)
http://www.selleckchem.com/products/ticagrelor.html

>  <CAS Number> (759)
274693-27-5

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/08251616502D

 19 21  0  0  0  0  0  0  0  0999 V2000
    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
    1.2082    2.1000    0.0000 N   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
    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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0024    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
    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
  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
  1 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  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> (760)
1662

>  <Formula> (760)
C12H11N7

>  <MolWeight> (760)
253.26264

>  <Item Name> (760)
Triamterene

>  <Catalog Number> (760)
S4080

>  <Synonyms> (760)
N/A

>  <Target> (760)
Sodium Channel

>  <Form> (760)
Free Base

>  <URL> (760)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (760)
396-01-0

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/08251616502D

 16 13  0  0  0  0  0  0  0  0999 V2000
    2.4461    2.7512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6800    2.0405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    2.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    4.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8964    2.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470    4.8266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1259    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424    2.7685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5589    2.0754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7710    2.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5589    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3469    5.7963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    5.7963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (761)
1663

>  <Formula> (761)
C10H26Cl2N2O2

>  <MolWeight> (761)
277.23164

>  <Item Name> (761)
Ethambutol dihydrochloride

>  <Catalog Number> (761)
S4004

>  <Synonyms> (761)
N/A

>  <Target> (761)
Others

>  <Form> (761)
2HCl

>  <URL> (761)
http://www.selleckchem.com/products/ethambutol-hcl.html

>  <CAS Number> (761)
1070-11-7

$$$$
EQUIPIN (homatropine methylbromide).cdx
csChFnd80/08251616502D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.7009    5.9029    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.3028    2.5486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    3.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813    3.8613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3028    5.3125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1668    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    2.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3129    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2928    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713    4.8513    0.0000 H   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  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
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  6  0  0  0
  9 13  1  6  0  0  0
  2 14  1  1  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
 15 19  2  0  0  0  0
 17 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 17  1  0  0  0  0
M  END
>  <Mol_ID> (762)
1664

>  <Formula> (762)
C17H24BrNO3

>  <MolWeight> (762)
370.28136

>  <Item Name> (762)
Homatropine Methylbromide

>  <Catalog Number> (762)
S4024

>  <Synonyms> (762)
N/A

>  <Target> (762)
AChR

>  <Form> (762)
Methylbromide

>  <URL> (762)
http://www.selleckchem.com/products/homatropine-methylbromide.html

>  <CAS Number> (762)
80-49-9

$$$$
Homatropine bromide.cdx
csChFnd80/08251616502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.7119    3.0029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3224    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    2.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9231    2.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    4.7635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2961    3.4147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1326    3.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6941    6.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    4.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3477    2.3004    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1326    4.3959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    7.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5537    2.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1303    5.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961    2.0163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  5 21  1  6  0  0  0
  6 10  1  0  0  0  0
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  6 22  1  1  0  0  0
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M  END
>  <Mol_ID> (763)
1665

>  <Formula> (763)
C16H22BrNO3

>  <MolWeight> (763)
356.25478

>  <Item Name> (763)
Homatropine Bromide

>  <Catalog Number> (763)
S4025

>  <Synonyms> (763)
N/A

>  <Target> (763)
AChR

>  <Form> (763)
Bromide

>  <URL> (763)
http://www.selleckchem.com/products/homatropine-bromide.html

>  <CAS Number> (763)
51-56-9

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (764)
1666

>  <Formula> (764)
C21H29Cl3N2O2

>  <MolWeight> (764)
447.82616

>  <Item Name> (764)
Hydroxyzine 2HCl

>  <Catalog Number> (764)
S4026

>  <Synonyms> (764)
N/A

>  <Target> (764)
Histamine Receptor

>  <Form> (764)
HCl

>  <URL> (764)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (764)
2192-20-3

$$$$
Flavoxate HCL.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (765)
1667

>  <Formula> (765)
C24H26ClNO4

>  <MolWeight> (765)
427.92054

>  <Item Name> (765)
Flavoxate HCl

>  <Catalog Number> (765)
S4027

>  <Synonyms> (765)
N/A

>  <Target> (765)
AChR

>  <Form> (765)
N/A

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

>  <CAS Number> (765)
3717-88-2

$$$$
Aclidinium bromide.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (766)
1668

>  <Formula> (766)
C26H30BrNO4S2

>  <MolWeight> (766)
564.5547

>  <Item Name> (766)
Aclidinium Bromide

>  <Catalog Number> (766)
S4031

>  <Synonyms> (766)
N/A

>  <Target> (766)
AChR

>  <Form> (766)
Free Base

>  <URL> (766)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (766)
320345-99-1

$$$$
Deoxyarbutin.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (767)
1670

>  <Formula> (767)
C11H14O3

>  <MolWeight> (767)
194.22706

>  <Item Name> (767)
Deoxyarbutin

>  <Catalog Number> (767)
S4132

>  <Synonyms> (767)
D-arbutin

>  <Target> (767)
Others

>  <Form> (767)
Free Base

>  <URL> (767)
https://www.selleckchem.com/products/deoxyarbutin.html

>  <CAS Number> (767)
53936-56-4

$$$$
Sulconazle Nitrate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (768)
1679

>  <Formula> (768)
C18H16Cl3N3O3S

>  <MolWeight> (768)
460.76194

>  <Item Name> (768)
Sulconazole Nitrate

>  <Catalog Number> (768)
S4120

>  <Synonyms> (768)
N/A

>  <Target> (768)
Others

>  <Form> (768)
Nitrate

>  <URL> (768)
https://www.selleckchem.com/products/sulconazole-nitrate.html

>  <CAS Number> (768)
82382-23-8

$$$$
Tilmicosin.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (769)
1681

>  <Formula> (769)
C46H80N2O13

>  <MolWeight> (769)
869.133

>  <Item Name> (769)
Tilmicosin

>  <Catalog Number> (769)
S4122

>  <Synonyms> (769)
N/A

>  <Target> (769)
Others

>  <Form> (769)
Free Base

>  <URL> (769)
https://www.selleckchem.com/products/tilmicosin.html

>  <CAS Number> (769)
108050-54-0

$$$$
Troxipide.cdx
csChFnd80/08251616502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (770)
1684

>  <Formula> (770)
C15H22N2O4

>  <MolWeight> (770)
294.34618

>  <Item Name> (770)
Troxipide

>  <Catalog Number> (770)
S4128

>  <Synonyms> (770)
N/A

>  <Target> (770)
Others

>  <Form> (770)
Free Base

>  <URL> (770)
https://www.selleckchem.com/products/troxipide.html

>  <CAS Number> (770)
30751-05-4

$$$$
Ampicillin trihydrate.cdx
csChFnd80/08251616502D

 28 27  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  1  0  0  0
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M  END
>  <Mol_ID> (771)
1708

>  <Formula> (771)
C16H25N3O7S

>  <MolWeight> (771)
403.4506

>  <Item Name> (771)
Ampicillin Trihydrate

>  <Catalog Number> (771)
S4148

>  <Synonyms> (771)
N/A

>  <Target> (771)
Others

>  <Form> (771)
Free Base

>  <URL> (771)
http://www.selleckchem.com/products/ampicillin-trihydrate.html

>  <CAS Number> (771)
7177-48-2 

$$$$
Amprolium HCl.cdx
csChFnd80/08251616502D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (772)
1711

>  <Formula> (772)
C14H20Cl2N4

>  <MolWeight> (772)
315.2414

>  <Item Name> (772)
Amprolium HCl

>  <Catalog Number> (772)
S4144

>  <Synonyms> (772)
N/A

>  <Target> (772)
Others

>  <Form> (772)
HCl

>  <URL> (772)
http://www.selleckchem.com/products/amprolium-hcl.html

>  <CAS Number> (772)
137-88-2

$$$$
Azithromycin dihydrate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (773)
1712

>  <Formula> (773)
C38H76N2O14

>  <MolWeight> (773)
785.01504

>  <Item Name> (773)
Azithromycin Dihydrate

>  <Catalog Number> (773)
S4147

>  <Synonyms> (773)
N/A

>  <Target> (773)
Others

>  <Form> (773)
Free Base

>  <URL> (773)
http://www.selleckchem.com/products/azithromycin-dihydrate.html

>  <CAS Number> (773)
117772-70-0

$$$$
Bacitracin.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (774)
1713

>  <Formula> (774)
C65H101N17O16S

>  <MolWeight> (774)
1408.66674

>  <Item Name> (774)
Bacitracin

>  <Catalog Number> (774)
S4146

>  <Synonyms> (774)
N/A

>  <Target> (774)
Others

>  <Form> (774)
Free Base

>  <URL> (774)
http://www.selleckchem.com/products/bacitracin.html

>  <CAS Number> (774)
1405-87-4

$$$$
1-Hexadecanol.cdx
csChFnd80/08251616502D

 17 16  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
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    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    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
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M  END
>  <Mol_ID> (775)
1725

>  <Formula> (775)
C16H34O

>  <MolWeight> (775)
242.44056

>  <Item Name> (775)
1-Hexadecanol

>  <Catalog Number> (775)
S4173

>  <Target> (775)
Others

>  <Form> (775)
Free Base

>  <URL> (775)
http://www.selleckchem.com/products/1-hexadecanol.html

>  <CAS Number> (775)
36653-82-4

$$$$
Amfenac Sodium£¨monohydrate£©.cdx
csChFnd80/08251616502D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (776)
1726

>  <Formula> (776)
C15H14NNaO4

>  <MolWeight> (776)
295.26573

>  <Item Name> (776)
Amfenac Sodium (monohydrate)

>  <Catalog Number> (776)
S4149

>  <Synonyms> (776)
N/A

>  <Target> (776)
Others

>  <Form> (776)
Free Base

>  <URL> (776)
http://www.selleckchem.com/products/amfenac-sodium-monohydrate.html

>  <CAS Number> (776)
61618-27-7

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/08251616502D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    6.7301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    7.8627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    9.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    9.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (777)
1727

>  <Formula> (777)
C19H24ClN3O

>  <MolWeight> (777)
345.86636

>  <Item Name> (777)
Benzydamine Hydrochloride

>  <Catalog Number> (777)
S4165

>  <Synonyms> (777)
N/A

>  <Target> (777)
Others

>  <Form> (777)
HCl

>  <URL> (777)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (777)
132-69-4

$$$$
Betamipron.cdx
csChFnd80/08251616502D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4333    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6622    4.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0804    2.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (778)
1728

>  <Formula> (778)
C10H11NO3

>  <MolWeight> (778)
193.19924

>  <Item Name> (778)
Betamipron

>  <Catalog Number> (778)
S4191

>  <Synonyms> (778)
N/A

>  <Target> (778)
Others

>  <Form> (778)
Free Base

>  <URL> (778)
http://www.selleckchem.com/products/betamipron.html

>  <CAS Number> (778)
3440-28-6

$$$$
RIMADYL (carprofen).cdx
csChFnd80/08251616502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    7.3476    6.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6969    5.2699    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
  3  5  1  0  0  0  0
  2  6  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 11  1  0  0  0  0
 11  4  2  0  0  0  0
  9 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
 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 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (779)
1729

>  <Formula> (779)
C15H12ClNO2

>  <MolWeight> (779)
273.71428

>  <Item Name> (779)
Carprofen

>  <Catalog Number> (779)
S4136

>  <Synonyms> (779)
N/A

>  <Target> (779)
Others

>  <Form> (779)
Free Base

>  <URL> (779)
http://www.selleckchem.com/products/carprofen.html

>  <CAS Number> (779)
53716-49-7

$$$$
Cetylpyridinium chloride.cdx
csChFnd80/08251616502D

 23 22  0  0  0  0  0  0  0  0999 V2000
    2.4179    2.1744    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2349    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4437    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8313    2.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0494    2.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4728    2.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    2.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8974    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1096    2.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1096    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6848    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4724    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2599    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853    4.1464    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  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
M  END
>  <Mol_ID> (780)
1731

>  <Formula> (780)
C21H38ClN

>  <MolWeight> (780)
339.98612

>  <Item Name> (780)
Cetylpyridinium Chloride

>  <Catalog Number> (780)
S4172

>  <Synonyms> (780)
N/A

>  <Target> (780)
Others

>  <Form> (780)
Chloride

>  <URL> (780)
http://www.selleckchem.com/products/cetylpyridinium-chloride.html

>  <CAS Number> (780)
123-03-5

$$$$
Chlorpropamide.cdx
csChFnd80/08251616502D

 17 17  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    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5582    1.5949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582    4.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9582    1.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6582    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7582    1.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1582    1.5949    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
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 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
M  END
>  <Mol_ID> (781)
1733

>  <Formula> (781)
C10H13ClN2O3S

>  <MolWeight> (781)
276.73982

>  <Item Name> (781)
Chlorpropamide

>  <Catalog Number> (781)
S4166

>  <Synonyms> (781)
N/A

>  <Target> (781)
Others

>  <Form> (781)
Free Base

>  <URL> (781)
http://www.selleckchem.com/products/chlorpropamide.html

>  <CAS Number> (781)
94-20-2

$$$$
Chlorquinaldol.cdx
csChFnd80/08251616502D

 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
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
  8 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (782)
1734

>  <Formula> (782)
C10H7Cl2NO

>  <MolWeight> (782)
228.07468

>  <Item Name> (782)
Chlorquinaldol

>  <Catalog Number> (782)
S4192

>  <Synonyms> (782)
N/A

>  <Target> (782)
Others

>  <Form> (782)
Free Base

>  <URL> (782)
http://www.selleckchem.com/products/chlorquinaldol.html

>  <CAS Number> (782)
72-80-0

$$$$
Chlorzoxazone.cdx
csChFnd80/08251616502D

 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
  4  8  2  0  0  0  0
  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> (783)
1736

>  <Formula> (783)
C7H4ClNO2

>  <MolWeight> (783)
169.56516

>  <Item Name> (783)
Chlorzoxazone

>  <Catalog Number> (783)
S4155

>  <Synonyms> (783)
N/A

>  <Target> (783)
Others

>  <Form> (783)
Free Base

>  <URL> (783)
http://www.selleckchem.com/products/chlorzoxazone.html

>  <CAS Number> (783)
95-25-0

$$$$
Choline Chloride.cdx
csChFnd80/08251616502D

  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
  2  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
M  END
>  <Mol_ID> (784)
1738

>  <Formula> (784)
C5H14ClNO

>  <MolWeight> (784)
139.62376

>  <Item Name> (784)
Choline Chloride

>  <Catalog Number> (784)
S4171

>  <Synonyms> (784)
N/A

>  <Target> (784)
Others

>  <Form> (784)
Chloride

>  <URL> (784)
http://www.selleckchem.com/products/choline-chloride.html

>  <CAS Number> (784)
67-48-1

$$$$
Cinchophen.cdx
csChFnd80/08251616502D

 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
    4.2000    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
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  4 11  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
 14 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (785)
1739

>  <Formula> (785)
C16H11NO2

>  <MolWeight> (785)
249.26404

>  <Item Name> (785)
Cinchophen

>  <Catalog Number> (785)
S4190

>  <Synonyms> (785)
N/A

>  <Target> (785)
Others

>  <Form> (785)
Free Base

>  <URL> (785)
http://www.selleckchem.com/products/cinchophen.html

>  <CAS Number> (785)
132-60-5

$$$$
Climbazole.cdx
csChFnd80/08251616502D

 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
    3.5095    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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M  END
>  <Mol_ID> (786)
1740

>  <Formula> (786)
C15H17ClN2O2

>  <MolWeight> (786)
292.76068

>  <Item Name> (786)
Climbazole

>  <Catalog Number> (786)
S4178

>  <Synonyms> (786)
N/A

>  <Target> (786)
Others

>  <Form> (786)
Free Base

>  <URL> (786)
http://www.selleckchem.com/products/climbazole.html

>  <CAS Number> (786)
38083-17-9

$$$$
Clofazimine.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (787)
1741

>  <Formula> (787)
C27H22Cl2N4

>  <MolWeight> (787)
473.39638

>  <Item Name> (787)
Clofazimine

>  <Catalog Number> (787)
S4107

>  <Synonyms> (787)
N/A

>  <Target> (787)
Others

>  <Form> (787)
Free Base

>  <URL> (787)
http://www.selleckchem.com/products/clofazimine.html

>  <CAS Number> (787)
2030-63-9

$$$$
Clorprenaline HCl.cdx
csChFnd80/08251616502D

 15 14  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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M  END
>  <Mol_ID> (788)
1742

>  <Formula> (788)
C11H17Cl2NO

>  <MolWeight> (788)
250.16478

>  <Item Name> (788)
Clorprenaline HCL

>  <Catalog Number> (788)
S4135

>  <Synonyms> (788)
N/A

>  <Target> (788)
Others

>  <Form> (788)
HCL

>  <URL> (788)
http://www.selleckchem.com/products/clorprenaline-hcl.html

>  <CAS Number> (788)
6933-90-0

$$$$
Closantel.cdx
csChFnd80/08251616502D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.7040    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (789)
1743

>  <Formula> (789)
C22H14Cl2I2N2O2

>  <MolWeight> (789)
663.0737

>  <Item Name> (789)
Closantel

>  <Catalog Number> (789)
S4106

>  <Synonyms> (789)
N/A

>  <Target> (789)
Others

>  <Form> (789)
Free Base

>  <URL> (789)
http://www.selleckchem.com/products/closantel.html

>  <CAS Number> (789)
57808-65-8

$$$$
Closantel sodium.cdx
csChFnd80/08251616502D

 31 32  0  0  0  0  0  0  0  0999 V2000
    9.7040    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (790)
1744

>  <Formula> (790)
C22H13Cl2I2N2NaO2

>  <MolWeight> (790)
685.05553

>  <Item Name> (790)
Closantel Sodium

>  <Catalog Number> (790)
S4105

>  <Synonyms> (790)
N/A

>  <Target> (790)
Others

>  <Form> (790)
Free Base

>  <URL> (790)
http://www.selleckchem.com/products/closantel-sodium.html

>  <CAS Number> (790)
61438-64-0

$$$$
Coumarin.cdx
csChFnd80/08251616502D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (791)
1745

>  <Formula> (791)
C9H6O2

>  <MolWeight> (791)
146.14274

>  <Item Name> (791)
Coumarin

>  <Catalog Number> (791)
S4170

>  <Synonyms> (791)
N/A

>  <Target> (791)
Others

>  <Form> (791)
Free Base

>  <URL> (791)
http://www.selleckchem.com/products/coumarin.html

>  <CAS Number> (791)
91-64-5

$$$$
Cyclandelate.cdx
csChFnd80/08251616502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (792)
1746

>  <Formula> (792)
C17H24O3

>  <MolWeight> (792)
276.37066

>  <Item Name> (792)
Cyclandelate

>  <Catalog Number> (792)
S4189

>  <Target> (792)
Others

>  <Form> (792)
Free Base

>  <URL> (792)
http://www.selleckchem.com/products/cyclandelate.html

>  <CAS Number> (792)
456-59-7

$$$$
Cyromazine.cdx
csChFnd80/08251616502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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    1.4000    4.8927    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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 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <Mol_ID> (793)
1747

>  <Formula> (793)
C6H10N6

>  <MolWeight> (793)
166.1838

>  <Item Name> (793)
Cyromazine

>  <Catalog Number> (793)
S4167

>  <Synonyms> (793)
N/A

>  <Target> (793)
Others

>  <Form> (793)
Free base

>  <URL> (793)
http://www.selleckchem.com/products/cyromazine.html

>  <CAS Number> (793)
66215-27-8

$$$$
Dexlansoprazole.cdx
csChFnd80/08251616502D

 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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   12.1611    2.2267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (794)
1748

>  <Formula> (794)
C16H14F3N3O2S

>  <MolWeight> (794)
369.3614696

>  <Item Name> (794)
Dexlansoprazole

>  <Catalog Number> (794)
S4099

>  <Synonyms> (794)
N/A

>  <Target> (794)
Others

>  <Form> (794)
Free Base

>  <URL> (794)
http://www.selleckchem.com/products/dexlansoprazole.html

>  <CAS Number> (794)
138530-94-6

$$$$
Doxofylline.cdx
csChFnd80/08251616502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    5.7875    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.9278    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
    0.0000    4.1927    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
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M  END
>  <Mol_ID> (795)
1749

>  <Formula> (795)
C11H14N4O4

>  <MolWeight> (795)
266.25326

>  <Item Name> (795)
Doxofylline

>  <Catalog Number> (795)
S4164

>  <Synonyms> (795)
N/A

>  <Target> (795)
Others

>  <Form> (795)
Free Base

>  <URL> (795)
http://www.selleckchem.com/products/doxofylline.html

>  <CAS Number> (795)
69975-86-6

$$$$
Dropropizine.cdx
csChFnd80/08251616502D

 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
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (796)
1750

>  <Formula> (796)
C13H20N2O2

>  <MolWeight> (796)
236.3101

>  <Item Name> (796)
Dropropizine

>  <Catalog Number> (796)
S4138

>  <Synonyms> (796)
N/A

>  <Target> (796)
Others

>  <Form> (796)
Free Base

>  <URL> (796)
http://www.selleckchem.com/products/dropropizine.html

>  <CAS Number> (796)
17692-31-8

$$$$
Ethamsylate.cdx
csChFnd80/08251616502D

 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
    0.5093    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (797)
1752

>  <Formula> (797)
C10H17NO5S

>  <MolWeight> (797)
263.31068

>  <Item Name> (797)
Ethamsylate

>  <Catalog Number> (797)
S4152

>  <Synonyms> (797)
N/A

>  <Target> (797)
Others

>  <Form> (797)
Free Base

>  <URL> (797)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (797)
2624-44-4

$$$$
isovaleramide.cdx
csChFnd80/08251616502D

  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
    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 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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M  END
>  <Mol_ID> (798)
1754

>  <Formula> (798)
C5H11NO

>  <MolWeight> (798)
101.14694

>  <Item Name> (798)
Isovaleramide

>  <Catalog Number> (798)
S4116

>  <Synonyms> (798)
N/A

>  <Target> (798)
Others

>  <Form> (798)
Free Base

>  <URL> (798)
http://www.selleckchem.com/products/isovaleramide.html

>  <CAS Number> (798)
541-46-8

$$$$
Mezlocillin sodium.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (799)
1755

>  <Formula> (799)
C21H24N5NaO8S2

>  <MolWeight> (799)
561.56373

>  <Item Name> (799)
Mezlocillin Sodium

>  <Catalog Number> (799)
S4179

>  <Synonyms> (799)
N/A

>  <Target> (799)
Others

>  <Form> (799)
Sodium

>  <URL> (799)
http://www.selleckchem.com/products/mezlocillin-sodium.html

>  <CAS Number> (799)
42057-22-7

$$$$
nifuroxazide.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (800)
1756

>  <Formula> (800)
C12H9N3O5

>  <MolWeight> (800)
275.21696

>  <Item Name> (800)
Nifuroxazide

>  <Catalog Number> (800)
S4182

>  <Synonyms> (800)
N/A

>  <Target> (800)
Others

>  <Form> (800)
Free Base

>  <URL> (800)
http://www.selleckchem.com/products/nifuroxazide.html

>  <CAS Number> (800)
965-52-6

$$$$
Penciclovir.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (801)
1758

>  <Formula> (801)
C10H15N5O3

>  <MolWeight> (801)
253.2578

>  <Item Name> (801)
Penciclovir

>  <Catalog Number> (801)
S4184

>  <Synonyms> (801)
N/A

>  <Target> (801)
Others

>  <Form> (801)
Free Base

>  <URL> (801)
http://www.selleckchem.com/products/penciclovir.html

>  <CAS Number> (801)
39809-25-1

$$$$
penfluridol.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (802)
1759

>  <Formula> (802)
C28H27ClF5NO

>  <MolWeight> (802)
523.965096

>  <Item Name> (802)
Penfluridol

>  <Catalog Number> (802)
S4151

>  <Target> (802)
Others

>  <Form> (802)
Free Base

>  <URL> (802)
http://www.selleckchem.com/products/penfluridol.html

>  <CAS Number> (802)
26864-56-2

$$$$
Salicylanilide.cdx
csChFnd80/08251616502D

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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    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 16  1  0  0  0  0
M  END
>  <Mol_ID> (803)
1760

>  <Formula> (803)
C13H11NO2

>  <MolWeight> (803)
213.23194

>  <Item Name> (803)
Salicylanilide

>  <Catalog Number> (803)
S4187

>  <Synonyms> (803)
N/A

>  <Target> (803)
Others

>  <Form> (803)
Free Base

>  <URL> (803)
http://www.selleckchem.com/products/salicylanilide.html

>  <CAS Number> (803)
87-17-2

$$$$
Sasapyrine.cdx
csChFnd80/08251616502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
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 17 19  1  0  0  0  0
 12 17  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (804)
1761

>  <Formula> (804)
C14H10O5

>  <MolWeight> (804)
258.2262

>  <Item Name> (804)
Sasapyrine

>  <Catalog Number> (804)
S4188

>  <Synonyms> (804)
N/A

>  <Target> (804)
Others

>  <Form> (804)
Free Base

>  <URL> (804)
http://www.selleckchem.com/products/sasapyrine.html

>  <CAS Number> (804)
552-94-3

$$$$
Sulfaguanidine.cdx
csChFnd80/08251616502D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.4000    4.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6089    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160    3.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6251    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.0089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    9.1089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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M  END
>  <Mol_ID> (805)
1765

>  <Formula> (805)
C7H10N4O2S

>  <MolWeight> (805)
214.2449

>  <Item Name> (805)
Sulfaguanidine

>  <Catalog Number> (805)
S4175

>  <Synonyms> (805)
N/A

>  <Target> (805)
Others

>  <Form> (805)
Free Base

>  <URL> (805)
http://www.selleckchem.com/products/sulfaguanidine.html

>  <CAS Number> (805)
57-67-0

$$$$
tiratricol.cdx
csChFnd80/08251616502D

 21 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
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    2.4207    5.5903    0.0000 I   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
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    0.0000    0.0000 I   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
   10.8909    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    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
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 13 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> (806)
1766

>  <Formula> (806)
C14H9I3O4

>  <MolWeight> (806)
621.93227

>  <Item Name> (806)
Tiratricol

>  <Catalog Number> (806)
S4185

>  <Synonyms> (806)
N/A

>  <Target> (806)
Others

>  <Form> (806)
Free Base

>  <URL> (806)
http://www.selleckchem.com/products/tiratricol.html

>  <CAS Number> (806)
51-24-1

$$$$
triclabendazole.cdx
csChFnd80/08251616502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6288    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7215    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (807)
1767

>  <Formula> (807)
C14H9Cl3N2OS

>  <MolWeight> (807)
359.65806

>  <Item Name> (807)
Triclabendazole

>  <Catalog Number> (807)
S4114

>  <Synonyms> (807)
N/A

>  <Target> (807)
Others

>  <Form> (807)
Free Base

>  <URL> (807)
http://www.selleckchem.com/products/triclabendazole.html

>  <CAS Number> (807)
68786-66-3

$$$$
Trometamol.cdx
csChFnd80/08251616502D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (808)
1768

>  <Formula> (808)
C4H11NO3

>  <MolWeight> (808)
121.13504

>  <Item Name> (808)
Trometamol

>  <Catalog Number> (808)
S4176

>  <Synonyms> (808)
N/A

>  <Target> (808)
Others

>  <Form> (808)
Free Base

>  <URL> (808)
http://www.selleckchem.com/products/trometamol.html

>  <CAS Number> (808)
77-86-1

$$$$
Uracil.cdx
csChFnd80/08251616502D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4267    2.0984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (809)
1769

>  <Formula> (809)
C4H4N2O2

>  <MolWeight> (809)
112.08676

>  <Item Name> (809)
Uracil

>  <Catalog Number> (809)
S4177

>  <Synonyms> (809)
N/A

>  <Target> (809)
Others

>  <Form> (809)
Free Base

>  <URL> (809)
http://www.selleckchem.com/products/uracil.html

>  <CAS Number> (809)
66-22-8

$$$$
Primaquine diphosphate.cdx
csChFnd80/08251616502D

 29 28  0  0  0  0  0  0  0  0999 V2000
    4.8287    6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0411    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    4.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    3.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8329    2.7198    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (810)
1780

>  <Formula> (810)
C15H27N3O9P2

>  <MolWeight> (810)
455.337102

>  <Item Name> (810)
Primaquine Diphosphate

>  <Catalog Number> (810)
S4237

>  <Synonyms> (810)
N/A

>  <Target> (810)
Others

>  <Form> (810)
Diphosphate

>  <URL> (810)
http://www.selleckchem.com/products/primaquine-diphosphate.html

>  <CAS Number> (810)
63-45-6

$$$$
Aminothiazole.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (811)
1783

>  <Formula> (811)
C3H4N2S

>  <MolWeight> (811)
100.14226

>  <Item Name> (811)
Aminothiazole

>  <Catalog Number> (811)
S4198

>  <Synonyms> (811)
N/A

>  <Target> (811)
Others

>  <Form> (811)
Free Base

>  <URL> (811)
http://www.selleckchem.com/products/aminothiazole.html

>  <CAS Number> (811)
96-50-4

$$$$
Antazoline HCl.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (812)
1784

>  <Formula> (812)
C17H20ClN3

>  <MolWeight> (812)
301.8138

>  <Item Name> (812)
Antazoline HCl

>  <Catalog Number> (812)
S4199

>  <Synonyms> (812)
N/A

>  <Target> (812)
Others

>  <Form> (812)
HCl

>  <URL> (812)
http://www.selleckchem.com/products/antazoline-hcl.html

>  <CAS Number> (812)
2508-72-7

$$$$
Azaguanine-8.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (813)
1785

>  <Formula> (813)
C4H4N6O

>  <MolWeight> (813)
152.11416

>  <Item Name> (813)
Azaguanine-8

>  <Catalog Number> (813)
S4194

>  <Synonyms> (813)
N/A

>  <Target> (813)
Others

>  <Form> (813)
Free Base

>  <URL> (813)
http://www.selleckchem.com/products/azaguanine-8.html

>  <CAS Number> (813)
134-58-7

$$$$
Bemegride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (814)
1786

>  <Formula> (814)
C8H13NO2

>  <MolWeight> (814)
155.19432

>  <Item Name> (814)
Bemegride

>  <Catalog Number> (814)
S4197

>  <Synonyms> (814)
N/A

>  <Target> (814)
Others

>  <Form> (814)
Free Base

>  <URL> (814)
http://www.selleckchem.com/products/bemegride.html

>  <CAS Number> (814)
64-65-3

$$$$
Bergapten.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (815)
1787

>  <Formula> (815)
C12H8O4

>  <MolWeight> (815)
216.18952

>  <Item Name> (815)
Bergapten

>  <Catalog Number> (815)
S4239

>  <Synonyms> (815)
N/A

>  <Target> (815)
Others

>  <Form> (815)
Free Base

>  <URL> (815)
http://www.selleckchem.com/products/bergapten.html

>  <CAS Number> (815)
484-20-8

$$$$
Broxyquinoline.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (816)
1788

>  <Formula> (816)
C9H5Br2NO

>  <MolWeight> (816)
302.9501

>  <Item Name> (816)
Broxyquinoline

>  <Catalog Number> (816)
S4195

>  <Synonyms> (816)
N/A

>  <Target> (816)
Others

>  <Form> (816)
Free Base

>  <URL> (816)
http://www.selleckchem.com/products/broxyquinoline.html

>  <CAS Number> (816)
521-74-4

$$$$
Cepharanthine.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (817)
1790

>  <Formula> (817)
C37H38N2O6

>  <MolWeight> (817)
606.70742

>  <Item Name> (817)
Cepharanthine

>  <Catalog Number> (817)
S4238

>  <Synonyms> (817)
N/A

>  <Target> (817)
Others

>  <Form> (817)
Free Base

>  <URL> (817)
http://www.selleckchem.com/products/cepharanthine.html

>  <CAS Number> (817)
481-49-2

$$$$
Deoxycorticosterone acetate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (818)
1791

>  <Formula> (818)
C23H32O4

>  <MolWeight> (818)
372.49778

>  <Item Name> (818)
Deoxycorticosterone acetate

>  <Catalog Number> (818)
S4243

>  <Synonyms> (818)
N/A

>  <Target> (818)
Others

>  <Form> (818)
Free Base

>  <URL> (818)
http://www.selleckchem.com/products/deoxycorticosterone-acetate.html

>  <CAS Number> (818)
56-47-3

$$$$
dirithromycin.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (819)
1792

>  <Formula> (819)
C42H78N2O14

>  <MolWeight> (819)
835.07372

>  <Item Name> (819)
Dirithromycin

>  <Catalog Number> (819)
S4213

>  <Synonyms> (819)
N/A

>  <Target> (819)
Others

>  <Form> (819)
Free Base

>  <URL> (819)
http://www.selleckchem.com/products/dirithromycin.html

>  <CAS Number> (819)
62013-04-1

$$$$
domiphen bromide.cdx
csChFnd80/08251616502D

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   18.1907    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8365    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8365    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6198    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4032    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5722    3.4537    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 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
M  END
>  <Mol_ID> (820)
1793

>  <Formula> (820)
C22H40BrNO

>  <MolWeight> (820)
414.4631

>  <Item Name> (820)
Domiphen Bromide

>  <Catalog Number> (820)
S4186

>  <Synonyms> (820)
N/A

>  <Target> (820)
Others

>  <Form> (820)
Free Base

>  <URL> (820)
http://www.selleckchem.com/products/domiphen-bromide.html

>  <CAS Number> (820)
538-71-6

$$$$
Doxylamine succinate.cdx
csChFnd80/08251616502D

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.8384   10.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409    9.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458    9.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482   10.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457   11.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409   11.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    8.1073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4333    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    8.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    8.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2138    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8553    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0678    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2802    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (821)
1794

>  <Formula> (821)
C21H28N2O5

>  <MolWeight> (821)
388.45742

>  <Item Name> (821)
Doxylamine Succinate

>  <Catalog Number> (821)
S4240

>  <Synonyms> (821)
N/A

>  <Target> (821)
Others

>  <Form> (821)
Succinate

>  <URL> (821)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (821)
562-10-7

$$$$
Ethacridine lactate monohydrate.cdx
csChFnd80/08251616502D

 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
    6.0580   12.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   13.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704   10.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828   11.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828   12.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704   13.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   15.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   13.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   12.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   13.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2957    4.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5081    5.2063    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7163    4.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5081    6.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    5.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    3.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  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
  2 16  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (822)
1796

>  <Formula> (822)
C18H23N3O5

>  <MolWeight> (822)
361.39232

>  <Item Name> (822)
Ethacridine lactate monohydrate

>  <Catalog Number> (822)
S4196

>  <Synonyms> (822)
N/A

>  <Target> (822)
Others

>  <Form> (822)
Lactate

>  <URL> (822)
http://www.selleckchem.com/products/ethacridine-lactate-monohydrate.html

>  <CAS Number> (822)
6402-23-9

$$$$
Florfenicol.cdx
csChFnd80/08251616502D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5049    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
    3.6415    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2049    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4173    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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
  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> (823)
1797

>  <Formula> (823)
C12H14Cl2FNO4S

>  <MolWeight> (823)
358.2132632

>  <Item Name> (823)
Florfenicol

>  <Catalog Number> (823)
S4201

>  <Synonyms> (823)
N/A

>  <Target> (823)
Others

>  <Form> (823)
Free Base

>  <URL> (823)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (823)
73231-34-2

$$$$
Furaltadone HCl.cdx
csChFnd80/08251616502D

 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
    0.0000    5.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6996    3.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5039    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0239    2.6328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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
   11.4664    1.8385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5390    4.0132    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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  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  8  1  0  0  0  0
 10 13  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 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 16  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (824)
1798

>  <Formula> (824)
C13H17ClN4O6

>  <MolWeight> (824)
360.75028

>  <Item Name> (824)
Furaltadone HCl

>  <Catalog Number> (824)
S4203

>  <Synonyms> (824)
N/A

>  <Target> (824)
Others

>  <Form> (824)
HCl

>  <URL> (824)
http://www.selleckchem.com/products/furaltadone-hcl.html

>  <CAS Number> (824)
3759-92-0

$$$$
Nicardipine hydrochloride.cdx
csChFnd80/08251616502D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.9167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8371    4.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    7.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    0.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2989    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    4.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071    2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196    2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    4.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196    5.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071    4.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.1094    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2578    8.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.4094    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.5511    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  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
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 12  7  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 29 30  2  0  0  0  0
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  9 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (825)
1800

>  <Formula> (825)
C26H30ClN3O6

>  <MolWeight> (825)
515.9859

>  <Item Name> (825)
Nicardipine HCl

>  <Catalog Number> (825)
S4181

>  <Synonyms> (825)
N/A

>  <Target> (825)
Others

>  <Form> (825)
HCl

>  <URL> (825)
http://www.selleckchem.com/products/nicardipine-hcl.html

>  <CAS Number> (825)
54527-84-3

$$$$
Phenazopyridine hydrochloride.cdx
csChFnd80/08251616502D

 17 17  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    2.1000    0.0000 N   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
    6.0496    2.1000    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
    7.2620    0.0000    0.0000 N   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
    8.4744    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
    4.8413    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1973    2.1997    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  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 13  1  0  0  0  0
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 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (826)
1803

>  <Formula> (826)
C11H12ClN5

>  <MolWeight> (826)
249.69948

>  <Item Name> (826)
Phenazopyridine HCl

>  <Catalog Number> (826)
S4235

>  <Synonyms> (826)
N/A

>  <Target> (826)
Others

>  <Form> (826)
HCl

>  <URL> (826)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (826)
136-40-3

$$$$
Serotonin hydrochloride.cdx
csChFnd80/08251616502D

 14 14  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
    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6939    3.1128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6346    2.3625    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  5  1  0  0  0  0
  1 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
M  END
>  <Mol_ID> (827)
1805

>  <Formula> (827)
C10H13ClN2O

>  <MolWeight> (827)
212.67602

>  <Item Name> (827)
Serotonin HCl

>  <Catalog Number> (827)
S4244

>  <Synonyms> (827)
N/A

>  <Target> (827)
Others

>  <Form> (827)
HCl

>  <URL> (827)
http://www.selleckchem.com/products/serotonin-hcl.html

>  <CAS Number> (827)
153-98-0

$$$$
Sodium ascorbate.cdx
csChFnd80/08251616502D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.5442    4.2732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5442    2.8683    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8803    2.4342    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7061    3.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8803    4.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061    3.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3129    1.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    5.0961    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1326    4.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    6.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7632    5.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5613    0.0000    0.0000 Na  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
  4  6  2  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  6  0  0  0
  1 13  1  6  0  0  0
M  END
>  <Mol_ID> (828)
1806

>  <Formula> (828)
C6H10NaO6

>  <MolWeight> (828)
201.12977

>  <Item Name> (828)
Sodium ascorbate

>  <Catalog Number> (828)
S4245

>  <Synonyms> (828)
N/A

>  <Target> (828)
Others

>  <Form> (828)
Sodium Salt

>  <URL> (828)
http://www.selleckchem.com/products/sodium-ascorbate.html

>  <CAS Number> (828)
134-03-2

$$$$
sucralose.cdx
csChFnd80/08251616502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.7900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.3900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.6900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.4900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    1.6924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3285    1.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    2.8609    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5653    4.0734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1959    3.7823    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1591    4.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    2.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1328    5.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.2948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4728    3.8438    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0395    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
  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  8  1  0  0  0  0
  6 13  1  1  0  0  0
  1 14  1  1  0  0  0
  2 15  1  1  0  0  0
 12 16  1  1  0  0  0
 10 17  1  1  0  0  0
  4  7  1  6  0  0  0
  8 18  1  6  0  0  0
 11 19  1  6  0  0  0
  3 20  1  6  0  0  0
 13 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (829)
1807

>  <Formula> (829)
C12H19Cl3O8

>  <MolWeight> (829)
397.63346

>  <Item Name> (829)
Sucralose

>  <Catalog Number> (829)
S4214

>  <Synonyms> (829)
N/A

>  <Target> (829)
Others

>  <Form> (829)
Free Base

>  <URL> (829)
http://www.selleckchem.com/products/sucralose.html

>  <CAS Number> (829)
56038-13-2

$$$$
teriflunomide.cdx
csChFnd80/08251616502D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    4.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0079    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4079    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <Mol_ID> (830)
1808

>  <Formula> (830)
C12H9F3N2O2

>  <MolWeight> (830)
270.2072696

>  <Item Name> (830)
Teriflunomide

>  <Catalog Number> (830)
S4169

>  <Synonyms> (830)
N/A

>  <Target> (830)
Others

>  <Form> (830)
Free Base

>  <URL> (830)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (830)
108605-62-5

$$$$
Valnemulin HCl.cdx
csChFnd80/08251616502D

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.1619    3.6917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1619    2.2868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1553    1.2934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5602    1.2934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5536    2.2868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5536    3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1553    4.6851    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (831)
1809

>  <Formula> (831)
C31H53ClN2O5S

>  <MolWeight> (831)
601.28092

>  <Item Name> (831)
Valnemulin HCl

>  <Catalog Number> (831)
S4216

>  <Synonyms> (831)
N/A

>  <Target> (831)
Others

>  <Form> (831)
HCl

>  <URL> (831)
http://www.selleckchem.com/products/valnemulin-hcl.html

>  <CAS Number> (831)
133868-46-9

$$$$
cetrimonium bromide.cdx
csChFnd80/08251616502D

 21 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (832)
1814

>  <Formula> (832)
C19H42BrN

>  <MolWeight> (832)
364.44748

>  <Item Name> (832)
Cetrimonium Bromide

>  <Catalog Number> (832)
S4242

>  <Synonyms> (832)
N/A

>  <Target> (832)
Others

>  <Form> (832)
Free Base

>  <URL> (832)
http://www.selleckchem.com/products/cetrimonium-bromide.html

>  <CAS Number> (832)
57-09-0

$$$$
Difluprednate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (833)
1818

>  <Formula> (833)
C27H34F2O7

>  <MolWeight> (833)
508.5514664

>  <Item Name> (833)
Difluprednate

>  <Catalog Number> (833)
S4095

>  <Synonyms> (833)
N/A

>  <Target> (833)
Others

>  <Form> (833)
Free Base

>  <URL> (833)
http://www.selleckchem.com/products/difluprednate.html

>  <CAS Number> (833)
23674-86-4

$$$$
Diminazene aceturate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (834)
1819

>  <Formula> (834)
C22H29N9O6

>  <MolWeight> (834)
515.52236

>  <Item Name> (834)
Diminazene Aceturate

>  <Catalog Number> (834)
S4104

>  <Synonyms> (834)
N/A

>  <Target> (834)
Others

>  <Form> (834)
Aceturate

>  <URL> (834)
http://www.selleckchem.com/products/diminazene-aceturate.html

>  <CAS Number> (834)
908-54-3

$$$$
Droperidol.cdx
csChFnd80/08251616502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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  8 10  2  0  0  0  0
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 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 14 17  1  0  0  0  0
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 18 19  1  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 24  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (835)
1820

>  <Formula> (835)
C22H22FN3O2

>  <MolWeight> (835)
379.4273832

>  <Item Name> (835)
Droperidol

>  <Catalog Number> (835)
S4096

>  <Synonyms> (835)
N/A

>  <Target> (835)
Others

>  <Form> (835)
Free Base

>  <URL> (835)
http://www.selleckchem.com/products/droperidol.html

>  <CAS Number> (835)
548-73-2

$$$$
Dydrogesterone.cdx
csChFnd80/08251616502D

 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
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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
  4  7  1  0  0  0  0
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 10  5  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
 17 18  1  6  0  0  0
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  9 23  1  1  0  0  0
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M  END
>  <Mol_ID> (836)
1821

>  <Formula> (836)
C21H28O2

>  <MolWeight> (836)
312.44582

>  <Item Name> (836)
Dydrogesterone

>  <Catalog Number> (836)
S4097

>  <Synonyms> (836)
N/A

>  <Target> (836)
Others

>  <Form> (836)
Free Base

>  <URL> (836)
http://www.selleckchem.com/products/dydrogesterone.html

>  <CAS Number> (836)
152-62-5

$$$$
Eprosartan mesylate.cdx
csChFnd80/08251616502D

 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
  2  3  1  0  0  0  0
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  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 13  9  1  0  0  0  0
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  7 30  1  0  0  0  0
 31 32  1  0  0  0  0
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 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (837)
1822

>  <Formula> (837)
C24H28N2O7S2

>  <MolWeight> (837)
520.61832

>  <Item Name> (837)
Eprosartan Mesylate

>  <Catalog Number> (837)
S4102

>  <Synonyms> (837)
N/A

>  <Target> (837)
Others

>  <Form> (837)
Free Base

>  <URL> (837)
http://www.selleckchem.com/products/eprosartan-mesylate.html

>  <CAS Number> (837)
144143-96-4 

$$$$
Esmolol hydrochloride.cdx
csChFnd80/08251616502D

 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
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   10.9204    4.9049    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
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 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
  2 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (838)
1823

>  <Formula> (838)
C16H26ClNO4

>  <MolWeight> (838)
331.83494

>  <Item Name> (838)
Esmolol HCl

>  <Catalog Number> (838)
S4100

>  <Synonyms> (838)
N/A

>  <Target> (838)
Others

>  <Form> (838)
HCl

>  <URL> (838)
http://www.selleckchem.com/products/esmolol-hcl.html

>  <CAS Number> (838)
81161-17-3, 81147-92-4(free base)

$$$$
Fenspiride hydrochloride.cdx
csChFnd80/08251616502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    2.4602    3.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287    3.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4602    1.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5331    4.7777    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  2  0  0  0  0
  6  2  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 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
 12 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 12  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (839)
1824

>  <Formula> (839)
C15H21ClN2O2

>  <MolWeight> (839)
296.79244

>  <Item Name> (839)
Fenspiride HCl 
Fenspiride HCl

>  <Catalog Number> (839)
S4090

>  <Synonyms> (839)
N/A

>  <Target> (839)
Others

>  <Form> (839)
HCl

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

>  <CAS Number> (839)
5053-08-7, 5053-06-5(free base)

$$$$
flumethasone.cdx
csChFnd80/08251616502D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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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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   10.3977    7.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    9.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9798    6.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 12 23  1  1  0  0  0
 14 24  1  1  0  0  0
  5 25  1  1  0  0  0
  9 26  1  1  0  0  0
 17 27  1  6  0  0  0
  7 28  1  6  0  0  0
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 16 31  1  6  0  0  0
 17 19  1  1  0  0  0
M  END
>  <Mol_ID> (840)
1825

>  <Formula> (840)
C22H28F2O5

>  <MolWeight> (840)
410.4515264

>  <Item Name> (840)
Flumethasone

>  <Catalog Number> (840)
S4088

>  <Synonyms> (840)
N/A

>  <Target> (840)
Others

>  <Form> (840)
Free Base

>  <URL> (840)
http://www.selleckchem.com/products/flumethasone.html

>  <CAS Number> (840)
2135-17-3

$$$$
halobetasol propionate .cdx
csChFnd80/08251616502D

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  1  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    9.7183    0.0000 Cl  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
   10.8199    4.8951    0.0000 C   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
    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9798    6.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.7951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3798    6.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0774    5.0378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0774    7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4726    7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 12 23  1  1  0  0  0
 16 24  1  1  0  0  0
 14 25  1  1  0  0  0
  5 26  1  1  0  0  0
  9 27  1  1  0  0  0
 17 28  1  6  0  0  0
  7 29  1  6  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (841)
1828

>  <Formula> (841)
C25H31ClF2O5

>  <MolWeight> (841)
484.9604464

>  <Item Name> (841)
Halobetasol Propionate

>  <Catalog Number> (841)
S4089

>  <Synonyms> (841)
N/A

>  <Target> (841)
Others

>  <Form> (841)
Free Base

>  <URL> (841)
http://www.selleckchem.com/products/halobetasol-propionate.html

>  <CAS Number> (841)
66852-54-8

$$$$
levobetaxolol hydrochloride.cdx
csChFnd80/08251616502D

 23 23  0  0  0  0  0  0  0  0999 V2000
    9.8710    3.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8710    1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6774    4.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0776    4.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6628    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4721    3.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4766    1.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2460    1.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0429    1.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8256    1.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6153    1.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015    1.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2871    3.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    4.0196    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7132    3.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9262    4.0203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1386    3.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  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
 12 14  1  0  0  0  0
 13 14  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
 19 21  1  0  0  0  0
 16 23  1  1  0  0  0
M  END
>  <Mol_ID> (842)
1832

>  <Formula> (842)
C18H30ClNO3

>  <MolWeight> (842)
343.8887

>  <Item Name> (842)
Levobetaxolol HCl

>  <Catalog Number> (842)
S4085

>  <Synonyms> (842)
N/A

>  <Target> (842)
Others

>  <Form> (842)
HCl

>  <URL> (842)
http://www.selleckchem.com/products/levobetaxolol-hcl.html

>  <CAS Number> (842)
116209-55-3, 93221-48-8(free base)

$$$$
lomerizine hydrochloride.cdx
csChFnd80/08251616502D

 36 37  0  0  0  0  0  0  0  0999 V2000
   11.8626    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8626    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6502    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0751    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6502    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0751    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6502    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4378    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7124   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (843)
1833

>  <Formula> (843)
C27H32Cl2F2N2O3

>  <MolWeight> (843)
541.4573864

>  <Item Name> (843)
Lomerizine HCl

>  <Catalog Number> (843)
S4084

>  <Synonyms> (843)
N/A

>  <Target> (843)
Others

>  <Form> (843)
HCl

>  <URL> (843)
http://www.selleckchem.com/products/lomerizine-hcl.html

>  <CAS Number> (843)
101477-54-7, 101477-55-8(free base)

$$$$
loxapine succinate.cdx
csChFnd80/08251616502D

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.6231    8.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5070    7.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2043    9.7016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    8.3678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2031    5.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8411    7.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3778   10.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6009    9.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3597    7.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483    5.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2357    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8691    6.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2046    7.2135    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.5874    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2247    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0122    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  2  0  0  0  0
M  END
>  <Mol_ID> (844)
1834

>  <Formula> (844)
C22H24ClN3O5

>  <MolWeight> (844)
445.89606

>  <Item Name> (844)
Loxapine Succinate

>  <Catalog Number> (844)
S4086

>  <Synonyms> (844)
N/A

>  <Target> (844)
Others

>  <Form> (844)
Succinate

>  <URL> (844)
http://www.selleckchem.com/products/loxapine-succinate.html

>  <CAS Number> (844)
27833-64-3

$$$$
Pramoxine hydrochloride.cdx
csChFnd80/08251616502D

 22 22  0  0  0  0  0  0  0  0999 V2000
   14.6182    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    2.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5072    2.8559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196    2.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    2.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    4.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196    4.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5072    4.2559    0.0000 C   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
  3  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
  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
 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
M  END
>  <Mol_ID> (845)
1841

>  <Formula> (845)
C17H28ClNO3

>  <MolWeight> (845)
329.86212

>  <Item Name> (845)
Pramoxine HCl

>  <Catalog Number> (845)
S4092

>  <Synonyms> (845)
N/A

>  <Target> (845)
Others

>  <Form> (845)
N/A

>  <URL> (845)
http://www.selleckchem.com/products/pramoxine-hcl.html

>  <CAS Number> (845)
637-58-1

$$$$
spiramycin.cdx
csChFnd80/08251616502D

 59 62  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
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    0.0000   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8919    6.9885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1033    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   19.3653    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  6  0  0  0
 10 22  1  6  0  0  0
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 14 25  1  6  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
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 42 43  1  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  1  0  0  0
 38 22  1  1  0  0  0
 40 45  1  1  0  0  0
 45 46  1  0  0  0  0
 41 47  1  6  0  0  0
 39 48  1  6  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
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 54 49  1  0  0  0  0
 49 47  1  1  0  0  0
 52 55  1  1  0  0  0
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 45 59  1  0  0  0  0
M  END
>  <Mol_ID> (846)
1846

>  <Formula> (846)
C43H74N2O14

>  <MolWeight> (846)
843.05266

>  <Item Name> (846)
Spiramycin

>  <Catalog Number> (846)
S4082

>  <Synonyms> (846)
N/A

>  <Target> (846)
Others

>  <Form> (846)
Free Base

>  <URL> (846)
http://www.selleckchem.com/products/spiramycin.html

>  <CAS Number> (846)
8025-81-8

$$$$
Voglibose.cdx
csChFnd80/08251616502D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    4.7077    5.0391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    4.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (847)
1851

>  <Formula> (847)
C10H21NO7

>  <MolWeight> (847)
267.27624

>  <Item Name> (847)
Voglibose

>  <Catalog Number> (847)
S4101

>  <Synonyms> (847)
N/A

>  <Target> (847)
Others

>  <Form> (847)
Free Base

>  <URL> (847)
http://www.selleckchem.com/products/voglibose.html

>  <CAS Number> (847)
83480-29-9

$$$$
Azaperone.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (848)
1854

>  <Formula> (848)
C19H22FN3O

>  <MolWeight> (848)
327.3958832

>  <Item Name> (848)
Azaperone

>  <Catalog Number> (848)
S4219

>  <Synonyms> (848)
N/A

>  <Target> (848)
Others

>  <Form> (848)
Free Base

>  <URL> (848)
http://www.selleckchem.com/products/azaperone.html

>  <CAS Number> (848)
1649-18-9

$$$$
Benzbromarone .cdx
csChFnd80/08251616502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.8123    2.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 16  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (849)
1855

>  <Formula> (849)
C17H12Br2O3

>  <MolWeight> (849)
424.08338

>  <Item Name> (849)
Benzbromarone

>  <Catalog Number> (849)
S4221

>  <Synonyms> (849)
N/A

>  <Target> (849)
Others

>  <Form> (849)
Free Base

>  <URL> (849)
http://www.selleckchem.com/products/benzbromarone.html

>  <CAS Number> (849)
3562-84-3

$$$$
Benzethonium chloride.cdx
csChFnd80/08251616502D

 31 31  0  0  0  0  0  0  0  0999 V2000
    4.4487    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (850)
1856

>  <Formula> (850)
C27H42ClNO2

>  <MolWeight> (850)
448.08088

>  <Item Name> (850)
Benzethonium chloride

>  <Catalog Number> (850)
S4162

>  <Synonyms> (850)
N/A

>  <Target> (850)
Others

>  <Form> (850)
Chloride

>  <URL> (850)
http://www.selleckchem.com/products/benzethonium-chloride.html

>  <CAS Number> (850)
121-54-0

$$$$
Benzocaine.cdx
csChFnd80/08251616502D

 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
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M  END
>  <Mol_ID> (851)
1857

>  <Formula> (851)
C9H11NO2

>  <MolWeight> (851)
165.18914

>  <Item Name> (851)
Benzocaine

>  <Catalog Number> (851)
S4210

>  <Synonyms> (851)
N/A

>  <Target> (851)
Others

>  <Form> (851)
Free Base

>  <URL> (851)
http://www.selleckchem.com/products/benzocaine.html

>  <CAS Number> (851)
94-09-7

$$$$
Benzoic acid .cdx
csChFnd80/08251616502D

  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
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    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
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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (852)
1858

>  <Formula> (852)
C7H6O2

>  <MolWeight> (852)
122.12134

>  <Item Name> (852)
Benzoic acid

>  <Catalog Number> (852)
S4161

>  <Synonyms> (852)
N/A

>  <Target> (852)
Others

>  <Form> (852)
Free Base

>  <URL> (852)
http://www.selleckchem.com/products/benzoic-acid.html

>  <CAS Number> (852)
65-85-0 

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (853)
1859

>  <Formula> (853)
C16H17N2NaO4S

>  <MolWeight> (853)
356.37195

>  <Item Name> (853)
Benzylpenicillin sodium

>  <Catalog Number> (853)
S4160

>  <Synonyms> (853)
N/A

>  <Target> (853)
Others

>  <Form> (853)
Sodium

>  <URL> (853)
http://www.selleckchem.com/products/benzylpenicillin-sodium.html

>  <CAS Number> (853)
69-57-8

$$$$
Bezafibrate .cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (854)
1860

>  <Formula> (854)
C19H20ClNO4

>  <MolWeight> (854)
361.8194

>  <Item Name> (854)
Bezafibrate

>  <Catalog Number> (854)
S4159

>  <Synonyms> (854)
N/A

>  <Target> (854)
Others

>  <Form> (854)
Free Base

>  <URL> (854)
http://www.selleckchem.com/products/bezafibrate.html

>  <CAS Number> (854)
41859-67-0

$$$$
chlorocresol.cdx
csChFnd80/08251616502D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (855)
1861

>  <Formula> (855)
C7H7ClO

>  <MolWeight> (855)
142.58288

>  <Item Name> (855)
Chlorocresol

>  <Catalog Number> (855)
S4209

>  <Synonyms> (855)
N/A

>  <Target> (855)
Others

>  <Form> (855)
Free Base

>  <URL> (855)
http://www.selleckchem.com/products/chlorocresol.html

>  <CAS Number> (855)
59-50-7

$$$$
Chromocarb.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (856)
1862

>  <Formula> (856)
C10H6O4

>  <MolWeight> (856)
190.15224

>  <Item Name> (856)
Chromocarb

>  <Catalog Number> (856)
S4208

>  <Synonyms> (856)
N/A

>  <Target> (856)
Others

>  <Form> (856)
Free Bse

>  <URL> (856)
http://www.selleckchem.com/products/chromocarb.html

>  <CAS Number> (856)
4940-39-0

$$$$
Clofibric acid.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (857)
1863

>  <Formula> (857)
C10H11ClO3

>  <MolWeight> (857)
214.64554

>  <Item Name> (857)
Clofibric acid

>  <Catalog Number> (857)
S4207

>  <Synonyms> (857)
N/A

>  <Target> (857)
Others

>  <Form> (857)
Free Base

>  <URL> (857)
http://www.selleckchem.com/products/clofibric-acid.html

>  <CAS Number> (857)
882-09-7

$$$$
Cysteamine HCl.cdx
csChFnd80/08251616502D

  5  3  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
    2.4291    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
M  END
>  <Mol_ID> (858)
1864

>  <Formula> (858)
C2H8ClNS

>  <MolWeight> (858)
113.60962

>  <Item Name> (858)
Cysteamine HCl

>  <Catalog Number> (858)
S4206

>  <Synonyms> (858)
N/A

>  <Target> (858)
Others

>  <Form> (858)
HCl

>  <URL> (858)
http://www.selleckchem.com/products/cysteamine-hcl.html

>  <CAS Number> (858)
156-57-0

$$$$
Dibenzothiophene.cdx
csChFnd80/08251616502D

 13 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (859)
1865

>  <Formula> (859)
C12H8S

>  <MolWeight> (859)
184.25692

>  <Item Name> (859)
Dibenzothiophene

>  <Catalog Number> (859)
S4205

>  <Synonyms> (859)
N/A

>  <Target> (859)
Others

>  <Form> (859)
Free Base

>  <URL> (859)
http://www.selleckchem.com/products/dibenzothiophene.html

>  <CAS Number> (859)
132-65-0

$$$$
fidaxomicin.cdx
csChFnd80/08251616502D

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M  CFW  12 B_NG_STER 2
M  END
>  <Mol_ID> (860)
1867

>  <Formula> (860)
C52H74Cl2O18

>  <MolWeight> (860)
1058.03916

>  <Item Name> (860)
Fidaxomicin

>  <Catalog Number> (860)
S4227

>  <Synonyms> (860)
N/A

>  <Target> (860)
Others

>  <Form> (860)
Free Base

>  <URL> (860)
http://www.selleckchem.com/products/fidaxomicin.html

>  <CAS Number> (860)
873857-62-6

$$$$
Fluorometholone Acetate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (861)
1868

>  <Formula> (861)
C24H31FO5

>  <MolWeight> (861)
418.4983432

>  <Item Name> (861)
Fluorometholone Acetate

>  <Catalog Number> (861)
S4228

>  <Synonyms> (861)
N/A

>  <Target> (861)
Others

>  <Form> (861)
Free Base

>  <URL> (861)
http://www.selleckchem.com/products/fluorometholone-acetate.html

>  <CAS Number> (861)
3801-06-7

$$$$
Isosorbide.cdx
csChFnd80/08251616502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (862)
1869

>  <Formula> (862)
C6H10O4

>  <MolWeight> (862)
146.1412

>  <Item Name> (862)
Isosorbide

>  <Catalog Number> (862)
S4204

>  <Synonyms> (862)
N/A

>  <Target> (862)
Others

>  <Form> (862)
Free Base

>  <URL> (862)
http://www.selleckchem.com/products/isosorbide.html

>  <CAS Number> (862)
652-67-5 

$$$$
Liothyronine Sodium.cdx
csChFnd80/08251616502D

 24 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (863)
1870

>  <Formula> (863)
C15H11I3NNaO4

>  <MolWeight> (863)
672.95532

>  <Item Name> (863)
Liothyronine Sodium

>  <Catalog Number> (863)
S4217

>  <Synonyms> (863)
N/A

>  <Target> (863)
Others

>  <Form> (863)
Free Base

>  <URL> (863)
http://www.selleckchem.com/products/liothyronine-sodium.html

>  <CAS Number> (863)
55-06-1

$$$$
mevastatin.cdx
csChFnd80/08251616502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    3.6405    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 10  1  0  0  0  0
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M  END
>  <Mol_ID> (864)
1871

>  <Formula> (864)
C23H34O5

>  <MolWeight> (864)
390.51306

>  <Item Name> (864)
Mevastatin

>  <Catalog Number> (864)
S4223

>  <Synonyms> (864)
N/A

>  <Target> (864)
Others

>  <Form> (864)
Free Base

>  <URL> (864)
http://www.selleckchem.com/products/mevastatin.html

>  <CAS Number> (864)
73573-88-3

$$$$
Mexiletine Hydrochloride.cdx
csChFnd80/08251616502D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.4411    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (865)
1872

>  <Formula> (865)
C11H18ClNO

>  <MolWeight> (865)
215.71972

>  <Item Name> (865)
Mexiletine HCl

>  <Catalog Number> (865)
S4225

>  <Synonyms> (865)
N/A

>  <Target> (865)
Others

>  <Form> (865)
HCl

>  <URL> (865)
http://www.selleckchem.com/products/mexiletine-hcl.html

>  <CAS Number> (865)
5370-01-4

$$$$
Montelukast sodium.cdx
csChFnd80/08251616502D

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   10.4594    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36  8  1  0  0  0  0
 37  8  1  0  0  0  0
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 21  9  2  0  0  0  0
 30  9  1  0  0  0  0
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M  END
>  <Mol_ID> (866)
1874

>  <Formula> (866)
C35H35ClNNaO3S

>  <MolWeight> (866)
608.16507

>  <Item Name> (866)
Montelukast Sodium

>  <Catalog Number> (866)
S4211

>  <Synonyms> (866)
N/A

>  <Target> (866)
Others

>  <Form> (866)
Sodium

>  <URL> (866)
http://www.selleckchem.com/products/montelukast-sodium.html

>  <CAS Number> (866)
151767-02-1

$$$$
Nithiamide.cdx
csChFnd80/08251616502D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.4861    2.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4120    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5681    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
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  5  8  1  0  0  0  0
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  7 11  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (867)
1875

>  <Formula> (867)
C5H5N3O3S

>  <MolWeight> (867)
187.1765

>  <Item Name> (867)
Nithiamide

>  <Catalog Number> (867)
S4232

>  <Synonyms> (867)
N/A

>  <Target> (867)
Others

>  <Form> (867)
Free Base

>  <URL> (867)
http://www.selleckchem.com/products/nithiamide.html

>  <CAS Number> (867)
140-40-9

$$$$
Oxaprozin.cdx
csChFnd80/08251616502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1722    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8722    3.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8044    5.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0126    6.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (868)
1877

>  <Formula> (868)
C18H15NO3

>  <MolWeight> (868)
293.3166

>  <Item Name> (868)
Oxaprozin

>  <Catalog Number> (868)
S4230

>  <Synonyms> (868)
N/A

>  <Target> (868)
Others

>  <Form> (868)
Free Base

>  <URL> (868)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (868)
21256-18-8

$$$$
Oxybuprocaine HCl.cdx
csChFnd80/08251616502D

 23 22  0  0  0  0  0  0  0  0999 V2000
    4.2137    7.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4684    6.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6087    7.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687    6.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403    8.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2632    5.9384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3206    8.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3997    7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    4.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6631    5.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0256    3.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321    4.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2994    2.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7318    4.6582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9682    1.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4771    5.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4197    3.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8626    5.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8147    3.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3971    1.3235    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (869)
1878

>  <Formula> (869)
C17H29ClN2O3

>  <MolWeight> (869)
344.87676

>  <Item Name> (869)
Oxybuprocaine HCl

>  <Catalog Number> (869)
S4229

>  <Synonyms> (869)
N/A

>  <Target> (869)
Others

>  <Form> (869)
HCl

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

>  <CAS Number> (869)
5987-82-6

$$$$
pheniramine maleate .cdx
csChFnd80/08251616502D

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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    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  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
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    4.8455    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    7.2578    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7333    4.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9457    5.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5251    5.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7333    3.1403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1540    4.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1540    3.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3622    2.4451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9457    2.4451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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  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  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (870)
1879

>  <Formula> (870)
C20H24N2O4

>  <MolWeight> (870)
356.41556

>  <Item Name> (870)
Pheniramine Maleate

>  <Catalog Number> (870)
S4045

>  <Synonyms> (870)
N/A

>  <Target> (870)
Others

>  <Form> (870)
Maleate

>  <URL> (870)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (870)
132-20-7

$$$$
Pilocarpine HCl.cdx
csChFnd80/08251616502D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.1810    3.5554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1070    2.1574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3437    4.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8703    4.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7427    1.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823    1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5905    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2488    0.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8506    4.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7887    2.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8319    3.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0858    5.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1766    2.0398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    6.4521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (871)
1880

>  <Formula> (871)
C11H17ClN2O2

>  <MolWeight> (871)
244.71788

>  <Item Name> (871)
Pilocarpine HCl

>  <Catalog Number> (871)
S4231

>  <Synonyms> (871)
N/A

>  <Target> (871)
Others

>  <Form> (871)
HCl

>  <URL> (871)
http://www.selleckchem.com/products/pilocarpine-hcl.html

>  <CAS Number> (871)
54-71-7

$$$$
Piperacillin Sodium.cdx
csChFnd80/08251616502D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.6817    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6817    3.2053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0624    5.0161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    2.7366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2498    3.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168    5.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8779    3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2481    2.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289    4.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8024    2.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8924    4.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3081    0.6754    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6217    5.2795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8289    3.2248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217    6.6922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    5.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    7.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    2.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0746    7.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0039    9.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217    9.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168   10.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919    8.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482   11.5661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919   11.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289   12.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   13.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5122    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
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  5  9  1  6  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  2  0  0  0  0
 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (872)
1881

>  <Formula> (872)
C23H26N5NaO7S

>  <MolWeight> (872)
539.53661

>  <Item Name> (872)
Piperacillin Sodium

>  <Catalog Number> (872)
S4222

>  <Synonyms> (872)
N/A

>  <Target> (872)
Others

>  <Form> (872)
Sodium

>  <URL> (872)
http://www.selleckchem.com/products/piperacillin-sodium.html

>  <CAS Number> (872)
59703-84-3

$$$$
Tolperisone HCl.cdx
csChFnd80/08251616502D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    8.2469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1763    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  2  0  0  0  0
  9 11  1  0  0  0  0
  9 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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (873)
1882

>  <Formula> (873)
C16H24ClNO

>  <MolWeight> (873)
281.82086

>  <Item Name> (873)
Tolperisone HCl

>  <Catalog Number> (873)
S4200

>  <Synonyms> (873)
N/A

>  <Target> (873)
Others

>  <Form> (873)
HCl

>  <URL> (873)
http://www.selleckchem.com/products/tolperisone-hcl.html

>  <CAS Number> (873)
3644-61-9

$$$$
Zoxazolamine.cdx
csChFnd80/08251616502D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.4517    0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    2.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    0.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3538    2.8070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8887    2.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8389    0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0101    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3063    2.4610    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
  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (874)
1883

>  <Formula> (874)
C7H5ClN2O

>  <MolWeight> (874)
168.5804

>  <Item Name> (874)
Zoxazolamine

>  <Catalog Number> (874)
S4233

>  <Synonyms> (874)
N/A

>  <Target> (874)
Others

>  <Form> (874)
Free Base

>  <URL> (874)
http://www.selleckchem.com/products/zoxazolamine.html

>  <CAS Number> (874)
61-80-3

$$$$
CEPHALEXIN (cephalexin).cdx
csChFnd80/08251616502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0496    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0827    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6578    0.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2713    4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0784    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6620    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2909    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  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
 12 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 14  1  0  0  0  0
 12  9  1  6  0  0  0
 15 20  1  1  0  0  0
 13 21  2  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
 18 25  1  0  0  0  0
M  END
>  <Mol_ID> (875)
1905

>  <Formula> (875)
C16H17N3O4S

>  <MolWeight> (875)
347.38888

>  <Item Name> (875)
Cephalexin (Cefalexin)

>  <Catalog Number> (875)
S1502

>  <Synonyms> (875)
Cefalexin, Alcephin, Cefablan, keflex,Cefadin, Tepaxin

>  <Target> (875)
Others

>  <Form> (875)
Free Base

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

>  <CAS Number> (875)
15686-71-2

$$$$
Bosentan.cdx
csChFnd80/08251616502D

 39 42  0  0  0  0  0  0  0  0999 V2000
    3.6331    5.5854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3349    9.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3349   12.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1300   14.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2242   13.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    7.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 17 18  1  0  0  0  0
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  7 25  1  0  0  0  0
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 26 27  2  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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 25 32  2  0  0  0  0
 25 33  2  0  0  0  0
 29 34  1  0  0  0  0
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 34 37  1  0  0  0  0
 24 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (876)
1918

>  <Formula> (876)
C27H29N5O6S

>  <MolWeight> (876)
551.61406

>  <Item Name> (876)
Bosentan

>  <Catalog Number> (876)
S4220

>  <Synonyms> (876)
N/A

>  <Target> (876)
Others

>  <Form> (876)
Free Base

>  <URL> (876)
http://www.selleckchem.com/products/bosentan.html

>  <CAS Number> (876)
147536-97-8

$$$$
acetarsol.cdx
csChFnd80/08251616502D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 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    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  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
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (877)
1961

>  <Formula> (877)
C8H10AsNO5

>  <MolWeight> (877)
275.0903

>  <Item Name> (877)
acetarsol

>  <Catalog Number> (877)
S4386

>  <Synonyms> (877)
Acetarsol

>  <Target> (877)
Others

>  <Form> (877)
Free Base

>  <URL> (877)
http://www.selleckchem.com/products/acetarsone.html

>  <CAS Number> (877)
97-44-9

$$$$
aminacrine.cdx
csChFnd80/08251616502D

 15 17  0  0  0  0  0  0  0  0999 V2000
    4.8275    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8275    2.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    2.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429    2.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2647    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    2.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    4.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2647    2.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218    2.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7  9  1  0  0  0  0
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 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (878)
1963

>  <Formula> (878)
C13H10N2

>  <MolWeight> (878)
194.2319

>  <Item Name> (878)
9-Aminoacridine
9-Aminoacridine
Aminoacrid

>  <Catalog Number> (878)
S4303

>  <Synonyms> (878)
Aminacrine

>  <Target> (878)
Others

>  <Form> (878)
Free Base

>  <URL> (878)
http://www.selleckchem.com/products/9-aminoacridine.html

>  <CAS Number> (878)
90-45-9

$$$$
anisotropine methylbromide.cdx
csChFnd80/08251616502D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.3623    4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2304    1.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1436    2.7118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8833    4.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6455    4.7416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0079    3.3893    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4959    2.3494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4858    3.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8381    2.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1235    4.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1703    4.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5528    1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5427    2.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4989    1.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7079    4.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (879)
1965

>  <Formula> (879)
C17H32BrNO2

>  <MolWeight> (879)
362.34548

>  <Item Name> (879)
anisotropine methylbromide

>  <Catalog Number> (879)
S4305

>  <Synonyms> (879)
N/A

>  <Target> (879)
Others

>  <Form> (879)
methylbromide

>  <URL> (879)
http://www.selleckchem.com/products/anisotropine-methylbromide.html

>  <CAS Number> (879)
80-50-2

$$$$
benzthiazide.cdx
csChFnd80/08251616502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.9103    3.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9103    1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1564    4.0327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6639    4.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6639    1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1564    1.2110    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3909    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    3.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3910    1.9164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0562    0.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2610    0.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    4.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    4.0221    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2144    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8155    3.3216    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9136    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0281    4.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2405    3.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4529    4.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2405    1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6653    3.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4529    1.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6653    1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (880)
1972

>  <Formula> (880)
C15H14ClN3O4S3

>  <MolWeight> (880)
431.93736

>  <Item Name> (880)
benzthiazide

>  <Catalog Number> (880)
S4308

>  <Synonyms> (880)
Benzothiazide

>  <Target> (880)
Others

>  <Form> (880)
Free Base

>  <URL> (880)
http://www.selleckchem.com/products/benzthiazide.html

>  <CAS Number> (880)
91-33-8

$$$$
bephenium hydroxynaphthoate.cdx
csChFnd80/08251616502D

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.0831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0831    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2955    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2955    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5079    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7204    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7204    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7204    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9328    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.3609    5.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9609    5.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    6.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    4.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2609    6.6870    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.4689    6.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4689    4.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485    5.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5609    7.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    7.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1712    5.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8361    6.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6236    5.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4112    6.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    5.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4112    8.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1888    8.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 25  2  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 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (881)
1973

>  <Formula> (881)
C28H29NO4

>  <MolWeight> (881)
443.53416

>  <Item Name> (881)
bephenium hydroxynaphthoate

>  <Catalog Number> (881)
S4389

>  <Synonyms> (881)
N/A

>  <Target> (881)
Others

>  <Form> (881)
hydroxynaphthoa

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

>  <CAS Number> (881)
3818-50-6

$$$$
brucine.cdx
csChFnd80/08251616502D

 38 42  0  0  0  0  0  0  0  0999 V2000
    6.2403    8.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9402    7.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3249    7.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333    6.4221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0039    5.3211    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1810    4.1886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7887    4.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4977    2.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7505    2.9096    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7101    1.9729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5562    4.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1831    1.5782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1428    2.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9657    3.8958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4379    2.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3205    3.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4617    4.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4617    5.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4147    6.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0363    6.4146    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4145    5.1850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7145    6.3974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1403   10.0714    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    8.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4403   11.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280    9.3715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3528   10.7714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  1  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  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  1  0  0  0  0
 19 20  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 21  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  1  0  0  0
  4 23  1  0  0  0  0
 23 24  2  0  0  0  0
  6 24  1  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  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 23 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (882)
1975

>  <Formula> (882)
C23H30N2O9S

>  <MolWeight> (882)
510.5573

>  <Item Name> (882)
brucine

>  <Catalog Number> (882)
S4390

>  <Synonyms> (882)
N/A

>  <Target> (882)
Others

>  <Form> (882)
sulphate
sulph

>  <URL> (882)
http://www.selleckchem.com/products/brucine.html

>  <CAS Number> (882)
652154-10-4

$$$$
calcium gluceptate.cdx
csChFnd80/08251616502D

 31 30  0  0  0  0  0  0  0  0999 V2000
   13.8044    6.0821    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3362    4.7817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9561    7.1839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.1918    6.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1588    3.7122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9451    4.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4482    8.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5928    6.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6909    2.4116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5524    3.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5448    9.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7953    8.7606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5391    1.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3032    2.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8709    9.8308    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
   14.0287    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7185   11.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5035   11.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3043   11.0209    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0559   11.6943    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3213    9.6314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8878   11.0176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0488   13.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469   11.6810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8924    9.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366   10.9885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6571   13.1061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043   11.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4707    9.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.9703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4921   13.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  1  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 18 19  1  0  0  0  0
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 19 21  1  6  0  0  0
 20 22  1  0  0  0  0
 20 23  1  1  0  0  0
 22 24  1  0  0  0  0
 22 25  1  1  0  0  0
 24 26  1  0  0  0  0
 24 27  1  1  0  0  0
 26 28  1  0  0  0  0
 26 29  1  6  0  0  0
 28 30  1  0  0  0  0
 18 31  2  0  0  0  0
M  END
>  <Mol_ID> (883)
1977

>  <Formula> (883)
C14H26CaO16

>  <MolWeight> (883)
490.42464

>  <Item Name> (883)
Calcium Gluceptate

>  <Catalog Number> (883)
S4311 

>  <Synonyms> (883)
N/A

>  <Target> (883)
Others

>  <Form> (883)
Gluceptate

>  <URL> (883)
http://www.selleckchem.com/products/calcium-gluceptate.html

>  <CAS Number> (883)
17140-60-2

$$$$
camylofine chlorhydrate.cdx
csChFnd80/08251616502D

 25 23  0  0  0  0  0  0  0  0999 V2000
    7.2692    6.3064    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4787    7.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774    6.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2692    4.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6706    6.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4787    8.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8235    6.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1045    4.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5242    4.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8602    7.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6323    9.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    6.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1045    2.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8602    8.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    6.2506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9064    2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    4.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9064    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    4.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6998    0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1189    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817    9.2309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3817    9.2309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (884)
1978

>  <Formula> (884)
C19H34Cl2N2O2

>  <MolWeight> (884)
393.39146

>  <Item Name> (884)
camylofine chlorhydrate

>  <Catalog Number> (884)
S4391

>  <Synonyms> (884)
Camylofine Chlorhydrate

>  <Target> (884)
Others

>  <Form> (884)
chlorhydrate

>  <URL> (884)
http://www.selleckchem.com/products/camylofin-chlorhydrate.html

>  <CAS Number> (884)
54-30-8

$$$$
carbachol.cdx
csChFnd80/08251616502D

 11  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8253    3.3664    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
  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  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (885)
1980

>  <Formula> (885)
C6H15ClN2O2

>  <MolWeight> (885)
182.6485

>  <Item Name> (885)
carbachol

>  <Catalog Number> (885)
S4359

>  <Synonyms> (885)
Carbamylcholine

>  <Target> (885)
Others

>  <Form> (885)
chloride

>  <URL> (885)
http://www.selleckchem.com/products/carbachol.html

>  <CAS Number> (885)
51-83-2

$$$$
carbadox.cdx
csChFnd80/08251616502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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 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
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  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 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (886)
1981

>  <Formula> (886)
C11H10N4O4

>  <MolWeight> (886)
262.2215

>  <Item Name> (886)
carbadox

>  <Catalog Number> (886)
S4312

>  <Synonyms> (886)
N/A

>  <Target> (886)
Others

>  <Form> (886)
Free Base

>  <URL> (886)
http://www.selleckchem.com/products/carbadox.html

>  <CAS Number> (886)
6804-07-5

$$$$
Carbenoxolone disodiuM.cdx
csChFnd80/08251616502D

 45 47  0  0  0  0  0  0  0  0999 V2000
    8.4354    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4354    4.1854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6478    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8602    4.1854    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8602    5.5854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6478    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0727    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2851    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2851    5.5854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0727    6.2854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4975    6.2854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4975    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2851    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0727    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7100    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9224    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9224    7.6854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7100    8.3854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1348    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1348    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9224   10.4854    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7100    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0256   11.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8192   11.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1931   11.3119    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.3420   12.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1306    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5017    9.0830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2183    4.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8602    7.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2271    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1395    7.4015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4975    4.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1759    8.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7510    2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5446    2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2271    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0189    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4354    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8107    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6024    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1292    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   20.7084   11.1708    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  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  2  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 18  1  0  0  0  0
 18 12  1  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 18  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 17 27  1  1  0  0  0
 18 28  1  1  0  0  0
  9 29  1  1  0  0  0
  5 30  1  1  0  0  0
  2 31  1  1  0  0  0
 10 32  1  6  0  0  0
 11 33  1  6  0  0  0
 14 34  2  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
M  END
>  <Mol_ID> (887)
1982

>  <Formula> (887)
C34H48Na2O7

>  <MolWeight> (887)
614.72026

>  <Item Name> (887)
Carbenoxolone disodium salt 

>  <Catalog Number> (887)
S4368

>  <Synonyms> (887)
N/A

>  <Target> (887)
Others

>  <Form> (887)
disodium

>  <URL> (887)
http://www.selleckchem.com/products/carbenoxolone-sodium.html

>  <CAS Number> (887)
7421-40-1

$$$$
ceftazidime pentahydrate.cdx
csChFnd80/08251616502D

 43 41  0  0  0  0  0  0  0  0999 V2000
   10.1565    7.9098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3825    8.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5861    7.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5739    6.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3577    5.8034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490    6.5098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7424    6.5240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7632    7.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3825   10.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701   10.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5950   10.7033    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.7986    8.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2327    8.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4421    7.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4360    6.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2205    5.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0111    6.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0110    7.8885    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7732    8.9139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7524    5.5340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    5.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0478    7.2666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    4.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    5.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    4.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    4.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    6.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    5.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    2.3140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0053    1.6694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6530    1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8905    2.4812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715    3.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0785    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1513    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7782    5.1598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3456   17.1615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5895   17.1615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4676    7.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7115    7.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2237    7.4054    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  8  1  0  0  0  0
  1  6  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2  9  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 12 18  1  0  0  0  0
  3 12  1  0  0  0  0
  8 19  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 26 31  1  0  0  0  0
 25 27  1  0  0  0  0
 23 24  2  0  0  0  0
 32 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
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 23 35  1  0  0  0  0
 20 21  1  0  0  0  0
  7 20  1  6  0  0  0
  6 38  1  1  0  0  0
M  END
>  <Mol_ID> (888)
1984

>  <Formula> (888)
C22H32N6O12S2

>  <MolWeight> (888)
636.65248

>  <Item Name> (888)
ceftazidime pentahydrate

>  <Catalog Number> (888)
S4314

>  <Synonyms> (888)
N/A

>  <Target> (888)
Others

>  <Form> (888)
Pentahydrate

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

>  <CAS Number> (888)
78439-06-2

$$$$
clofoctol.cdx
csChFnd80/08251616502D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.1621    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    5.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    4.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954    5.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    7.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8078    7.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0203    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0203    5.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2369    4.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4536    5.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4536    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2369    7.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2369    9.0253    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    4.8180    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    9.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9699    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0700    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  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
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
  6 16  1  0  0  0  0
  3 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
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (889)
1988

>  <Formula> (889)
C21H26Cl2O

>  <MolWeight> (889)
365.33654

>  <Item Name> (889)
clofoctol

>  <Catalog Number> (889)
S4394 

>  <Synonyms> (889)
N/A

>  <Target> (889)
Others

>  <Form> (889)
Free Base

>  <URL> (889)
http://www.selleckchem.com/products/clofoctol.html

>  <CAS Number> (889)
37693-01-9

$$$$
DicycloMine Hydrochloride.cdx
csChFnd80/08251616502D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4844    2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8725    1.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8725    3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1880    3.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    5.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2605    4.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5761    3.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6485    4.4995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4054    5.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0898    6.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641    4.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0366    4.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9523    0.0620    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
  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (890)
1994

>  <Formula> (890)
C19H36ClNO2

>  <MolWeight> (890)
345.94764

>  <Item Name> (890)
DicycloMine  Hydrochloride

>  <Catalog Number> (890)
S4373 

>  <Synonyms> (890)
Dicycloverine HCl

>  <Target> (890)
Others

>  <Form> (890)
Hydrochloride

>  <URL> (890)
http://www.selleckchem.com/products/dicyclomine-hcl.html

>  <CAS Number> (890)
67-92-5

$$$$
diperodon hydrochloride.cdx
csChFnd80/08251616502D

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.1000    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
    0.0000    1.2124    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
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  3  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
    4.2000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5807    0.2996    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
  8 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  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
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 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
M  END
>  <Mol_ID> (891)
1997

>  <Formula> (891)
C22H28ClN3O4

>  <MolWeight> (891)
433.92842

>  <Item Name> (891)
diperodon hydrochloride

>  <Catalog Number> (891)
S4397

>  <Synonyms> (891)
N/A

>  <Target> (891)
Others

>  <Form> (891)
hydrochloride

>  <URL> (891)
http://www.selleckchem.com/products/diperodon-hcl.html

>  <CAS Number> (891)
537-12-2

$$$$
diphenylpyraline hydrochloride.cdx
csChFnd80/08251616502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.3000    3.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    7.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.3215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (892)
1998

>  <Formula> (892)
C19H24ClNO

>  <MolWeight> (892)
317.85296

>  <Item Name> (892)
diphenylpyraline hydrochloride

>  <Catalog Number> (892)
S4321 

>  <Synonyms> (892)
N/A

>  <Target> (892)
Others

>  <Form> (892)
hydrochloride

>  <URL> (892)
http://www.selleckchem.com/products/diphenylpyraline-hcl.html

>  <CAS Number> (892)
132-18-3

$$$$
disopyramide phosphate.cdx
csChFnd80/08251616502D

 30 30  0  0  0  0  0  0  0  0999 V2000
    4.2000    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.9876    0.0000 N   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
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9196    2.4827    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.9196    1.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5196    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9196    3.8827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3196    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (893)
1999

>  <Formula> (893)
C21H32N3O5P

>  <MolWeight> (893)
437.469641

>  <Item Name> (893)
disopyramide phosphate

>  <Catalog Number> (893)
S4322 

>  <Synonyms> (893)
N/A

>  <Target> (893)
Others

>  <Form> (893)
phosphate

>  <URL> (893)
http://www.selleckchem.com/products/disopyramide-phosphate.html

>  <CAS Number> (893)
22059-60-5

$$$$
ethoxzolamide.cdx
csChFnd80/08251616502D

 16 17  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
    7.3826    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    1.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3826    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    1.4007    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5991    0.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    0.0024    0.0000 O   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 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
M  END
>  <Mol_ID> (894)
2004

>  <Formula> (894)
C9H10N2O3S2

>  <MolWeight> (894)
258.3173

>  <Item Name> (894)
ethoxzolamide

>  <Catalog Number> (894)
S4326 

>  <Synonyms> (894)
N/A

>  <Target> (894)
Others

>  <Form> (894)
Free Base

>  <URL> (894)
http://www.selleckchem.com/products/ethoxzolamide.html

>  <CAS Number> (894)
452-35-7

$$$$
famprofazone.cdx
csChFnd80/08251616502D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.5414    4.1467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5394    2.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8694    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6926    3.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729    4.5795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    5.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    4.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    6.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4258    7.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464    6.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1330    4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    1.9260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3025    0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6505    0.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0882    3.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7861    4.6556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1816    4.6556    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0882    5.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8794    5.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8793    3.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1816    7.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8818    8.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1816    9.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7811    9.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0809    8.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7811    7.0729    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  1  1  0  0  0  0
  5  6  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 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
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 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
M  END
>  <Mol_ID> (895)
2005

>  <Formula> (895)
C24H31N3O

>  <MolWeight> (895)
377.52244

>  <Item Name> (895)
famprofazone

>  <Catalog Number> (895)
S4327 

>  <Synonyms> (895)
Famprofazonum

>  <Target> (895)
Others

>  <Form> (895)
Free Base

>  <URL> (895)
http://www.selleckchem.com/products/famprofazone.html

>  <CAS Number> (895)
22881-35-2

$$$$
fosfomycin tromethamine .cdx
csChFnd80/08251616502D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.9124    3.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6124    2.6139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8249    1.9139    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    3.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5225    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313    2.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8312    0.7844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5225    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5225    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4525    3.6587    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  1  1  1  0  0  0
  3  4  1  0  0  0  0
  2  5  1  1  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (896)
2006

>  <Formula> (896)
C7H18NO7P

>  <MolWeight> (896)
259.194081

>  <Item Name> (896)
fosfomycin tromethamine

>  <Catalog Number> (896)
S4385 

>  <Synonyms> (896)
Phosphomycin Tromethamine, Phosphonomycin Tromethamine 

>  <Target> (896)
Others

>  <Form> (896)
tromethamine

>  <URL> (896)
http://www.selleckchem.com/products/fosfomycin-tromethamine.html

>  <CAS Number> (896)
78964-85-9

$$$$
glafenine hydrochloride.cdx
csChFnd80/08251616502D

 27 28  0  0  0  0  0  0  0  0999 V2000
    9.5661    9.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3641    8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3847    6.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6073    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8093    7.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7887    8.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6279    4.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8505    4.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0525    4.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0339    6.3420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5455   10.5045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4300    4.1947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4506    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6732    2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6938    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4918    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2692    0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2486    2.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0302    2.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8324    2.0464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0097    4.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140    2.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    2.0108    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4367    0.6158    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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (897)
2007

>  <Formula> (897)
C19H18Cl2N2O4

>  <MolWeight> (897)
409.26322

>  <Item Name> (897)
glafenine hydrochloride

>  <Catalog Number> (897)
S4362 

>  <Synonyms> (897)
N/A

>  <Target> (897)
Others

>  <Form> (897)
hydrochloride

>  <URL> (897)
http://www.selleckchem.com/products/glafenine-hcl.html

>  <CAS Number> (897)
65513-72-6

$$$$
IMipraMine hydrochloride.cdx
csChFnd80/08251616502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.4322    5.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4322    3.8063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5268    2.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    3.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4991    4.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    5.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5268    6.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3181    7.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0149    7.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9203    7.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1290    5.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1141    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0663    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4312    0.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8439    2.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4422    2.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899    3.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352    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  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  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
  3 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  4  1  0  0  0  0
  2 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
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (898)
2011

>  <Formula> (898)
C19H25ClN2

>  <MolWeight> (898)
316.8682

>  <Item Name> (898)
IMipraMine hydrochloride

>  <Catalog Number> (898)
S4377 

>  <Synonyms> (898)
Melipramine HCl

>  <Target> (898)
Others

>  <Form> (898)
hydrochloride

>  <URL> (898)
http://www.selleckchem.com/products/imipramine-hcl.html

>  <CAS Number> (898)
113-52-0

$$$$
isoetharine mesylate.cdx
csChFnd80/08251616502D

 22 21  0  0  0  0  0  0  0  0999 V2000
    2.1000    7.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    7.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    6.6601    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3000    5.4477    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3000    7.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.4477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5960    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0835    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711    0.5124    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
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (899)
2012

>  <Formula> (899)
C14H25NO6S

>  <MolWeight> (899)
335.4164

>  <Item Name> (899)
isoetharine mesylate

>  <Catalog Number> (899)
S4330 

>  <Synonyms> (899)
N/A

>  <Target> (899)
Others

>  <Form> (899)
mesylate

>  <URL> (899)
http://www.selleckchem.com/products/isoetharine-mesylate.html

>  <CAS Number> (899)
7279-75-6

$$$$
isoxicam.cdx
csChFnd80/08251616502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    3.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    3.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453    1.0698    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8565    1.7711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8549    3.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    3.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    5.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0644    3.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    3.1773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0644    5.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    3.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7647    3.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7015    4.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0041    5.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6347    5.2692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0906    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0661    1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468    0.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5432    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
 10 11  1  0  0  0  0
  9 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  2  0  0  0  0
 17 20  1  0  0  0  0
  8 21  1  0  0  0  0
  7 22  2  0  0  0  0
  7 23  2  0  0  0  0
M  END
>  <Mol_ID> (900)
2013

>  <Formula> (900)
C14H13N3O5S

>  <MolWeight> (900)
335.33512

>  <Item Name> (900)
isoxicam

>  <Catalog Number> (900)
S4398 

>  <Synonyms> (900)
N/A

>  <Target> (900)
Others

>  <Form> (900)
Free Base

>  <URL> (900)
http://www.selleckchem.com/products/isoxicam.html

>  <CAS Number> (900)
34552-84-6

$$$$
mepenzolate bromide.cdx
csChFnd80/08251616502D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    2.4623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6670    0.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5543    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2690    0.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2589    1.3753    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.8966    2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5443    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9589    2.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2489    0.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4507    1.5312    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
  3  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
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
  9 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  9  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 13  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (901)
2018

>  <Formula> (901)
C21H26BrNO3

>  <MolWeight> (901)
420.34004

>  <Item Name> (901)
mepenzolate bromide

>  <Catalog Number> (901)
S4375 

>  <Synonyms> (901)
N/A

>  <Target> (901)
Others

>  <Form> (901)
bromide

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

>  <CAS Number> (901)
76-90-4

$$$$
mepiroxol.cdx
csChFnd80/08251616502D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4462    0.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    2.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015    2.7997    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    4.1995    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6692    0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8859    0.7398    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
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (902)
2019

>  <Formula> (902)
C6H7NO2

>  <MolWeight> (902)
125.12528

>  <Item Name> (902)
mepiroxol

>  <Catalog Number> (902)
S4333 

>  <Synonyms> (902)
N/A

>  <Target> (902)
Others

>  <Form> (902)
Free Base

>  <URL> (902)
http://www.selleckchem.com/products/mepiroxol.html

>  <CAS Number> (902)
6968-72-5

$$$$
mesoridazine besylate.cdx
csChFnd80/08251616502D

 36 39  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 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
    2.4291    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.2878    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6415    6.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 S   0  0  3  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
    8.4828    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5666    5.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5666    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7790    2.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9915    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9915    5.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7790    5.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1997    5.7806    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.8973    4.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4079    6.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5021    6.9888    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
  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
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 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
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 13 24  1  0  0  0  0
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 27 28  2  0  0  0  0
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 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
M  END
>  <Mol_ID> (903)
2020

>  <Formula> (903)
C27H32N2O4S3

>  <MolWeight> (903)
544.74898

>  <Item Name> (903)
mesoridazine besylate

>  <Catalog Number> (903)
S4334 

>  <Synonyms> (903)
N/A

>  <Target> (903)
Others

>  <Form> (903)
besylate

>  <URL> (903)
http://www.selleckchem.com/products/mesoridazine-besylate.html

>  <CAS Number> (903)
32672-69-8

$$$$
metaproterenol sulfate(orciprenaline sulfate).cdx
csChFnd80/08251616502D

 35 34  0  0  0  0  0  0  0  0999 V2000
    1.2712   10.4497    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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  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
  6  9  1  0  0  0  0
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 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
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  2  0  0  0  0
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 22 23  1  0  0  0  0
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 26 21  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  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
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (904)
2021

>  <Formula> (904)
C22H36N2O10S

>  <MolWeight> (904)
520.59364

>  <Item Name> (904)
metaproterenol sulfate

>  <Catalog Number> (904)
S4335 

>  <Synonyms> (904)
Orciprenaline Sulfate

>  <Target> (904)
Others

>  <Form> (904)
sulfate

>  <URL> (904)
http://www.selleckchem.com/products/metaproterenol-sulfate.html

>  <CAS Number> (904)
5874-97-5

$$$$
metaraminol bitartrate.cdx
csChFnd80/08251616502D

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.6458    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    8.4073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0706    7.7073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2831    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    9.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    6.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.1165    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1165    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6917    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9041    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
  4  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
  8 11  1  1  0  0  0
  9 12  1  6  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  2  0  0  0  0
 13 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  1  6  0  0  0
 15 22  1  6  0  0  0
M  END
>  <Mol_ID> (905)
2022

>  <Formula> (905)
C13H19NO8

>  <MolWeight> (905)
317.29186

>  <Item Name> (905)
metaraminol bitartrate

>  <Catalog Number> (905)
S4336 

>  <Synonyms> (905)
Metaradrine Bitartrate

>  <Target> (905)
Others

>  <Form> (905)
bitartrate

>  <URL> (905)
http://www.selleckchem.com/products/metaraminol-bitartrate.html

>  <CAS Number> (905)
33402-03-8

$$$$
meticrane.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    0.0000    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 16  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (906)
2025

>  <Formula> (906)
C10H13NO4S2

>  <MolWeight> (906)
275.34452

>  <Item Name> (906)
meticrane

>  <Catalog Number> (906)
S4339 

>  <Synonyms> (906)
N/A

>  <Target> (906)
Others

>  <Form> (906)
Free Base

>  <URL> (906)
http://www.selleckchem.com/products/meticrane.html

>  <CAS Number> (906)
1084-65-7

$$$$
moxalactam disodium.cdx
csChFnd80/08251616502D

 39 42  0  0  0  0  0  0  0  0999 V2000
    1.2103    5.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    4.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    4.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    5.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    3.4962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0598    4.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2700    3.4962    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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 15 20  2  0  0  0  0
 13 21  1  1  0  0  0
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 22 23  1  0  0  0  0
  7 24  1  0  0  0  0
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 24 26  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 18 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
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 36 37  2  0  0  0  0
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 38 34  1  0  0  0  0
 38 39  1  0  0  0  0
 26 27  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (907)
2028

>  <Formula> (907)
C20H18N6Na2O9S

>  <MolWeight> (907)
564.43626

>  <Item Name> (907)
moxalactam disodium

>  <Catalog Number> (907)
S4340 

>  <Synonyms> (907)
Latamoxef Disodium

>  <Target> (907)
Others

>  <Form> (907)
disodium

>  <URL> (907)
http://www.selleckchem.com/products/moxalactam-disodium.html

>  <CAS Number> (907)
64953-12-4

$$$$
nalmefene hydrochloride.cdx
csChFnd80/08251616502D

 27 31  0  0  0  0  0  0  0  0999 V2000
    0.6055    5.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7905    3.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    3.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7918    4.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0014    5.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878    4.8162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7932    6.0785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0028    7.2340    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6069    7.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782    3.6607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3741    3.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9796    5.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1891    6.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    2.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1618    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0850    2.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3973    5.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6061    8.4919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966    7.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2854    8.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6450    9.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0210    9.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0835    8.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417    9.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871    2.0823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862    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
  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
  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
 14  8  1  0  0  0  0
  4 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  2  0  0  0  0
 11 17  1  1  0  0  0
  7 18  1  1  0  0  0
  9 19  1  1  0  0  0
  8 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 18  1  0  0  0  0
 19 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 23  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
>  <Mol_ID> (908)
2029

>  <Formula> (908)
C21H26ClNO3

>  <MolWeight> (908)
375.88904

>  <Item Name> (908)
nalmefene hydrochloride

>  <Catalog Number> (908)
S4341 

>  <Synonyms> (908)
N/A

>  <Target> (908)
Others

>  <Form> (908)
hydrochloride

>  <URL> (908)
http://www.selleckchem.com/products/nalmefene-hcl.html

>  <CAS Number> (908)
58895-64-0

$$$$
nialamide.cdx
csChFnd80/08251616502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 N   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
    2.4207    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8783    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8783    3.4927    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
  7  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
 13 15  2  0  0  0  0
 14 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
M  END
>  <Mol_ID> (909)
2030

>  <Formula> (909)
C16H18N4O2

>  <MolWeight> (909)
298.33972

>  <Item Name> (909)
nialamide

>  <Catalog Number> (909)
S4342 

>  <Synonyms> (909)
N/A

>  <Target> (909)
Others

>  <Form> (909)
Free Base

>  <URL> (909)
http://www.selleckchem.com/products/nialamide.html

>  <CAS Number> (909)
51-12-7

$$$$
nicotine ditartrate.cdx
csChFnd80/08251616502D

 32 31  0  0  0  0  0  0  0  0999 V2000
    1.3903   11.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1216   10.5593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470    8.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4157    8.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373   10.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060   10.9407    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0306   10.2623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   11.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4622   12.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0727   12.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2017    8.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5726    5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7851    6.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9975    5.3375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2099    6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4224    5.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3602    6.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5726    3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7851    7.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9975    3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2099    7.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2747    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.4871    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9120    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6995    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
  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  7  1  0  0  0  0
  8 12  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
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  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
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  2  0  0  0  0
M  END
>  <Mol_ID> (910)
2031

>  <Formula> (910)
C18H26N2O12

>  <MolWeight> (910)
462.40524

>  <Item Name> (910)
nicotine ditartrate

>  <Catalog Number> (910)
S4370

>  <Synonyms> (910)
http://www.selleckchem.com/products/nicotiN/A

>  <Target> (910)
Others

>  <Form> (910)
ditartrate

>  <URL> (910)
http://www.selleckchem.com/products/nicotine-ditartrate.html

>  <CAS Number> (910)
65-31-6

$$$$
nifenazone.cdx
csChFnd80/08251616502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.9350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7801    5.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488    5.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    6.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9164    7.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2082    8.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7438    4.6087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7169    3.9773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2365    6.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1045    3.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9825    4.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6726    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8502    1.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4191    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6380    1.1313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0649    2.4116    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  1  1  0  0  0  0
  5  6  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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
M  END
>  <Mol_ID> (911)
2032

>  <Formula> (911)
C17H16N4O2

>  <MolWeight> (911)
308.33454

>  <Item Name> (911)
nifenazone

>  <Catalog Number> (911)
S4401 

>  <Synonyms> (911)
N/A

>  <Target> (911)
Others

>  <Form> (911)
Free Base

>  <URL> (911)
http://www.selleckchem.com/products/nifenazone.html

>  <CAS Number> (911)
2139-47-1

$$$$
noscapine hydrochloride.cdx
csChFnd80/08251616502D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 C   0  0  2  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
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    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9243    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2305    5.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7979    7.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4285    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    8.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7314    8.1405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9309    9.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3003    9.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6225    1.1229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  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
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M  END
>  <Mol_ID> (912)
2034

>  <Formula> (912)
C22H24ClNO7

>  <MolWeight> (912)
449.88146

>  <Item Name> (912)
noscapine hydrochloride

>  <Catalog Number> (912)
S4363 

>  <Synonyms> (912)
N/A

>  <Target> (912)
Others

>  <Form> (912)
hydrochloride

>  <URL> (912)
http://www.selleckchem.com/products/noscapine-hcl.html

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

$$$$
untitled.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (913)
2035

>  <Formula> (913)
C26H41NO10

>  <MolWeight> (913)
527.60444

>  <Item Name> (913)
oxelaidin citrate

>  <Catalog Number> (913)
S4402

>  <Synonyms> (913)
N/A

>  <Target> (913)
Others

>  <Form> (913)
citrate

>  <URL> (913)
http://www.selleckchem.com/products/oxeladin-citrate.html

>  <CAS Number> (913)
52432-72-1

$$$$
oxethazaine.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (914)
2036

>  <Formula> (914)
C28H41N3O3

>  <MolWeight> (914)
467.64344

>  <Item Name> (914)
oxethazaine

>  <Catalog Number> (914)
S4343 

>  <Synonyms> (914)
Oxethacaine

>  <Target> (914)
Others

>  <Form> (914)
Free Base

>  <URL> (914)
http://www.selleckchem.com/products/oxethazaine.html

>  <CAS Number> (914)
126-27-2

$$$$
pasiniazid.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (915)
2039

>  <Formula> (915)
C13H14N4O4

>  <MolWeight> (915)
290.27466

>  <Item Name> (915)
pasiniazid

>  <Catalog Number> (915)
S4404 

>  <Synonyms> (915)
N/A

>  <Target> (915)
Others

>  <Form> (915)
isonicotinic 

>  <URL> (915)
http://www.selleckchem.com/products/pasiniazid.html

>  <CAS Number> (915)
2066-89-9

$$$$
pentoxifylline.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (916)
2040

>  <Formula> (916)
C13H18N4O3

>  <MolWeight> (916)
278.30702

>  <Item Name> (916)
pentoxifylline

>  <Catalog Number> (916)
S4345 

>  <Synonyms> (916)
N/A

>  <Target> (916)
Others

>  <Form> (916)
Free Base

>  <URL> (916)
http://www.selleckchem.com/products/pentoxifylline.html

>  <CAS Number> (916)
6493-05-6

$$$$
phenothrin.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (917)
2041

>  <Formula> (917)
C23H26O3

>  <MolWeight> (917)
350.45074

>  <Item Name> (917)
phenothrin

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S4364 

>  <Synonyms> (917)
Sumithrin

>  <Target> (917)
Others

>  <Form> (917)
Free Base

>  <URL> (917)
http://www.selleckchem.com/products/phenothrin.html

>  <CAS Number> (917)
26002-80-2

$$$$
phthalylsulfacetamide.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (918)
2042

>  <Formula> (918)
C16H14N2O6S

>  <MolWeight> (918)
362.35716

>  <Item Name> (918)
phthalylsulfacetamide

>  <Catalog Number> (918)
S4365 

>  <Synonyms> (918)
N/A

>  <Target> (918)
Others

>  <Form> (918)
Free Base

>  <URL> (918)
http://www.selleckchem.com/products/phthalylsulfacetamide.html

>  <CAS Number> (918)
131-69-1

$$$$
pimozide.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (919)
2045

>  <Formula> (919)
C28H29F2N3O

>  <MolWeight> (919)
461.5461664

>  <Item Name> (919)
pimozide

>  <Catalog Number> (919)
S4358 

>  <Synonyms> (919)
N/A

>  <Target> (919)
Others

>  <Form> (919)
Free Base

>  <URL> (919)
http://www.selleckchem.com/products/pimozide.html

>  <CAS Number> (919)
2062-78-4

$$$$
piromidic acid.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (920)
2049

>  <Formula> (920)
C14H16N4O3

>  <MolWeight> (920)
288.30184

>  <Item Name> (920)
piromidic acid

>  <Catalog Number> (920)
S4348 

>  <Synonyms> (920)
N/A

>  <Target> (920)
Others

>  <Form> (920)
Free Base

>  <URL> (920)
http://www.selleckchem.com/products/piromidic-acid.html

>  <CAS Number> (920)
19562-30-2

$$$$
pridinol methanesulfonate salt.cdx
csChFnd80/08251616502D

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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (921)
2050

>  <Formula> (921)
C21H29NO4S

>  <MolWeight> (921)
391.52426

>  <Item Name> (921)
pridinol methanesulfonate salt

>  <Catalog Number> (921)
S4371

>  <Synonyms> (921)
N/A

>  <Target> (921)
Others

>  <Form> (921)
methanesulfonat

>  <URL> (921)
http://www.selleckchem.com/products/pridinol-methanesulfonate.html

>  <CAS Number> (921)
6856-31-1

$$$$
proadifen hydrochloride .cdx
csChFnd80/08251616502D

 27 27  0  0  0  0  0  0  0  0999 V2000
    5.6871    7.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3870    5.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    5.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (922)
2051

>  <Formula> (922)
C23H32ClNO2

>  <MolWeight> (922)
389.95868

>  <Item Name> (922)
proadifen hydrochloride

>  <Catalog Number> (922)
S4381 

>  <Synonyms> (922)
SKF 525-A HCl

>  <Target> (922)
Others

>  <Form> (922)
hydrochloride

>  <URL> (922)
http://www.selleckchem.com/products/proadifen-hcl.html

>  <CAS Number> (922)
62-68-0

$$$$
prochlorperazine dimaleate.cdx
csChFnd80/08251616502D

 41 42  0  0  0  0  0  0  0  0999 V2000
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  2  1  0  0  0  0
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 22 25  1  0  0  0  0
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 36 37  2  0  0  0  0
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 38 40  2  0  0  0  0
 34 41  2  0  0  0  0
M  END
>  <Mol_ID> (923)
2052

>  <Formula> (923)
C28H32ClN3O8S

>  <MolWeight> (923)
606.08698

>  <Item Name> (923)
prochlorperazine dimaleate

>  <Catalog Number> (923)
S4407 

>  <Synonyms> (923)
N/A

>  <Target> (923)
Others

>  <Form> (923)
dimaleate

>  <URL> (923)
http://www.selleckchem.com/products/prochlorperazine-dimaleate.html

>  <CAS Number> (923)
84-02-6

$$$$
procodazole.cdx
csChFnd80/08251616502D

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.9572    2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5843    0.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9215    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2945    1.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3123    2.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    3.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6942    2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1856    0.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    2.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3471    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977    2.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6460    3.3653    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
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 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (924)
2053

>  <Formula> (924)
C10H10N2O2

>  <MolWeight> (924)
190.1986

>  <Item Name> (924)
procodazole

>  <Catalog Number> (924)
S4408 

>  <Synonyms> (924)
N/A

>  <Target> (924)
Others

>  <Form> (924)
Free Base

>  <URL> (924)
http://www.selleckchem.com/products/procodazole.html

>  <CAS Number> (924)
23249-97-0

$$$$
procyclidine hydrochloride.cdx
csChFnd80/08251616502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.1706    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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 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (925)
2054

>  <Formula> (925)
C19H30ClNO

>  <MolWeight> (925)
323.9006

>  <Item Name> (925)
procyclidine hydrochloride

>  <Catalog Number> (925)
S4349 

>  <Synonyms> (925)
N/A

>  <Target> (925)
Others

>  <Form> (925)
hydrochloride

>  <URL> (925)
http://www.selleckchem.com/products/procyclidine-hcl.html

>  <CAS Number> (925)
1508-76-5

$$$$
ractopamine hydrochloride.cdx
csChFnd80/08251616502D

 23 23  0  0  0  0  0  0  0  0999 V2000
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (926)
2056

>  <Formula> (926)
C18H24ClNO3

>  <MolWeight> (926)
337.84106

>  <Item Name> (926)
ractopamine hydrochloride

>  <Catalog Number> (926)
S4351 

>  <Synonyms> (926)
N/A

>  <Target> (926)
Others

>  <Form> (926)
hydrochloride

>  <URL> (926)
http://www.selleckchem.com/products/ractopamine-hcl.html

>  <CAS Number> (926)
90274-24-1

$$$$
SodiuM 4-aMinohippurate hydrate.cdx
csChFnd80/08251616502D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1247    3.4523    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7805    1.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (927)
2058

>  <Formula> (927)
C9H9N2NaO3

>  <MolWeight> (927)
216.16913

>  <Item Name> (927)
SodiuM 4-aMinohippurate hydrate

>  <Catalog Number> (927)
S4414 

>  <Synonyms> (927)
N/A

>  <Target> (927)
Others

>  <Form> (927)
Sodium

>  <URL> (927)
http://www.selleckchem.com/products/sodium-4-aminohippurate-hydrate.html

>  <CAS Number> (927)
94-16-6

$$$$
tacrine hydrochlorid.cdx
csChFnd80/08251616502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.2758    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0639    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    2.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4260    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    0.0020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0011    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    4.1971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  2  0  0  0  0
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 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <Mol_ID> (928)
2060

>  <Formula> (928)
C13H15ClN2

>  <MolWeight> (928)
234.7246

>  <Item Name> (928)
tacrine hydrochlorid

>  <Catalog Number> (928)
S4357 

>  <Synonyms> (928)
N/A

>  <Target> (928)
Others

>  <Form> (928)
hydrochlorid

>  <URL> (928)
http://www.selleckchem.com/products/tacrine-hcl.html

>  <CAS Number> (928)
1684-40-8

$$$$
terfenadine.cdx
csChFnd80/08251616502D

 35 38  0  0  0  0  0  0  0  0999 V2000
    3.5000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    0.5627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4000    3.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6000    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
  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
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 18 12  1  0  0  0  0
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  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
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 34 35  2  0  0  0  0
 35 23  1  0  0  0  0
M  END
>  <Mol_ID> (929)
2061

>  <Formula> (929)
C32H41NO2

>  <MolWeight> (929)
471.67344

>  <Item Name> (929)
terfenadine

>  <Catalog Number> (929)
S4353 

>  <Synonyms> (929)
N/A

>  <Target> (929)
Others

>  <Form> (929)
Free Base

>  <URL> (929)
http://www.selleckchem.com/products/terfenadine.html

>  <CAS Number> (929)
50679-08-8

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/08251616502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602    0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602    2.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7397    2.8936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7476    0.0188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0238    2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0238    0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2755    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5208    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5311    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3327    2.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7397    4.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462    4.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462    6.3411    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7436    7.0302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5465    9.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3522    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3522    7.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7253    2.7911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9353    2.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9693    0.7133    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
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  6  1  1  0  0  0  0
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  4  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
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 18 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (930)
2063

>  <Formula> (930)
C21H27ClN2S2

>  <MolWeight> (930)
407.03548

>  <Item Name> (930)
Thioridazine hydrochloride

>  <Catalog Number> (930)
S4374 

>  <Synonyms> (930)
N/A

>  <Target> (930)
Others

>  <Form> (930)
hydrochloride

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

>  <CAS Number> (930)
130-61-0

$$$$
tolmetin sodium.cdx
csChFnd80/08251616502D

 22 21  0  0  0  0  0  0  0  0999 V2000
    8.1910    2.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1910    3.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8595    4.1983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0366    3.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8595    1.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4284    5.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3197    4.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6415    3.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2791    1.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9315    1.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
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   10.5321    3.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9570    2.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1652    1.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   13.9351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.9351    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  1  1  0  0  0  0
  3  6  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
 13 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 13  1  0  0  0  0
 17 20  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (931)
2067

>  <Formula> (931)
C15H18NNaO5

>  <MolWeight> (931)
315.29689

>  <Item Name> (931)
tolmetin sodium

>  <Catalog Number> (931)
S4360 

>  <Synonyms> (931)
N/A

>  <Target> (931)
Others

>  <Form> (931)
sodium

>  <URL> (931)
http://www.selleckchem.com/products/tolmetin-sodium.html

>  <CAS Number> (931)
64490-92-2

$$$$
TrifluproMazine hydrochloride.cdx
csChFnd80/08251616502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (932)
2068

>  <Formula> (932)
C18H20ClF3N2S

>  <MolWeight> (932)
388.8780096

>  <Item Name> (932)
TrifluproMazine hydrochloride

>  <Catalog Number> (932)
S4372

>  <Synonyms> (932)
N/A

>  <Target> (932)
Others

>  <Form> (932)
hydrochloride

>  <URL> (932)
http://www.selleckchem.com/products/triflupromazine-hcl.html

>  <CAS Number> (932)
1098-60-8

$$$$
(S)-(+)-FLURBIPROFEN.cdx
csChFnd80/08251616502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  5 14  1  0  0  0  0
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 14 18  1  6  0  0  0
M  END
>  <Mol_ID> (933)
2069

>  <Formula> (933)
C15H13FO2

>  <MolWeight> (933)
244.2609232

>  <Item Name> (933)
(S)-(+)-Flurbiprofen

>  <Catalog Number> (933)
S1679

>  <Synonyms> (933)
Urbifen, Ansaid, Flurwood, Froben

>  <Target> (933)
Others

>  <Form> (933)
Free Base

>  <URL> (933)
http://www.selleckchem.com/products/Flurbiprofen(Ansaid).html

>  <CAS Number> (933)
51543-39-6

$$$$
Chlorpheniramine Maleate.cdx
csChFnd80/08251616502D

 27 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (934)
2070

>  <Formula> (934)
C20H23ClN2O4

>  <MolWeight> (934)
390.86062

>  <Item Name> (934)
Chlorpheniramine Maleate

>  <Catalog Number> (934)
S1816

>  <Synonyms> (934)
Piriton

>  <Target> (934)
Histamine Receptor

>  <Form> (934)
Maleate

>  <URL> (934)
http://www.selleckchem.com/products/Chlorpheniramine-maleate.html

>  <CAS Number> (934)
113-92-8

$$$$
Emtricitabine.cdx
csChFnd80/08251616502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (935)
2071

>  <Formula> (935)
C8H10FN3O3S

>  <MolWeight> (935)
247.2467032

>  <Item Name> (935)
Emtricitabine

>  <Catalog Number> (935)
S1704

>  <Synonyms> (935)
Atripla

>  <Target> (935)
Reverse Transcriptase

>  <Form> (935)
Free Base

>  <URL> (935)
http://www.selleckchem.com/products/Emtricitabine.html

>  <CAS Number> (935)
143491-57-0

$$$$
Idoxuridine.cdx
csChFnd80/08251616502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (936)
2072

>  <Formula> (936)
C9H11IN2O5

>  <MolWeight> (936)
354.09851

>  <Item Name> (936)
Idoxuridin

>  <Catalog Number> (936)
S1883

>  <Synonyms> (936)
N/A

>  <Target> (936)
Others

>  <Form> (936)
Free Base

>  <URL> (936)
http://www.selleckchem.com/products/idoxuridine.html

>  <CAS Number> (936)
54-42-2

$$$$
Mitotane.cdx
csChFnd80/08251616502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (937)
2074

>  <Formula> (937)
C14H10Cl4

>  <MolWeight> (937)
320.0412

>  <Item Name> (937)
Mitotane

>  <Catalog Number> (937)
S1732

>  <Synonyms> (937)
Lysodren, Mitotan

>  <Target> (937)
Others

>  <Form> (937)
Free Base

>  <URL> (937)
http://www.selleckchem.com/products/Mitotane(Lysodren).html

>  <CAS Number> (937)
53-19-0

$$$$
Nisoldipine.cdx
csChFnd80/08251616502D

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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (938)
2075

>  <Formula> (938)
C20H24N2O6

>  <MolWeight> (938)
388.41436

>  <Item Name> (938)
Nisoldipine

>  <Catalog Number> (938)
S1748

>  <Synonyms> (938)
Zadipina

>  <Target> (938)
Others

>  <Form> (938)
Free Base

>  <URL> (938)
http://www.selleckchem.com/products/Nisoldipine(Sular).html

>  <CAS Number> (938)
63675-72-9

$$$$
METI-DERM (prednisolone).cdx
csChFnd80/08251616502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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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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  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
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (939)
2076

>  <Formula> (939)
C21H28O5

>  <MolWeight> (939)
360.44402

>  <Item Name> (939)
Prednisolone

>  <Catalog Number> (939)
S1737

>  <Synonyms> (939)
Decaprednil, Predonine

>  <Target> (939)
Others

>  <Form> (939)
Free Base

>  <URL> (939)
http://www.selleckchem.com/products/Prednisolone(Hydroretrocortine).html

>  <CAS Number> (939)
50-24-8

$$$$
Rifabutin.cdx
csChFnd80/08251616502D

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (940)
2077

>  <Formula> (940)
C46H62N4O11

>  <MolWeight> (940)
847.00468

>  <Item Name> (940)
Rifabutin

>  <Catalog Number> (940)
S1741

>  <Synonyms> (940)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (940)
Others

>  <Form> (940)
Free Base

>  <URL> (940)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (940)
72559-06-9

$$$$
Rifampin.cdx
csChFnd80/08251616502D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (941)
2078

>  <Formula> (941)
C43H58N4O12

>  <MolWeight> (941)
822.94022

>  <Item Name> (941)
Rifampin

>  <Catalog Number> (941)
S1764

>  <Synonyms> (941)
Rifampicin

>  <Target> (941)
Others

>  <Form> (941)
Free Base

>  <URL> (941)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (941)
13292-46-1

$$$$
Rifapentine.cdx
csChFnd80/08251616502D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (942)
2079

>  <Formula> (942)
C47H64N4O12

>  <MolWeight> (942)
877.03066

>  <Item Name> (942)
Rifapentine

>  <Catalog Number> (942)
S1760

>  <Synonyms> (942)
Cyclopentylrifampicin

>  <Target> (942)
Others

>  <Form> (942)
Free Base

>  <URL> (942)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (942)
61379-65-5

$$$$
spironolactone.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (943)
2080

>  <Formula> (943)
C24H32O4S

>  <MolWeight> (943)
416.57348

>  <Item Name> (943)
spironolactone

>  <Catalog Number> (943)
S4054

>  <Synonyms> (943)
N/A

>  <Target> (943)
Androgen Receptor

>  <Form> (943)
Free Base

>  <URL> (943)
http://www.selleckchem.com/products/spironolactone.html

>  <CAS Number> (943)
52-01-7

$$$$
Terbinafine.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (944)
2082

>  <Formula> (944)
C21H25N

>  <MolWeight> (944)
291.4299

>  <Item Name> (944)
Terbinafine

>  <Catalog Number> (944)
S1725

>  <Synonyms> (944)
Lamisil, Terbinex, Corbinal, Zabel

>  <Target> (944)
Others

>  <Form> (944)
Free Base

>  <URL> (944)
http://www.selleckchem.com/products/Terbinafine(Lamisil).html

>  <CAS Number> (944)
91161-71-6

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (945)
2087

>  <Formula> (945)
C25H32F3N3O4

>  <MolWeight> (945)
495.5344896

>  <Item Name> (945)
Silodosin

>  <Catalog Number> (945)
S1613

>  <Synonyms> (945)
N/A

>  <Target> (945)
Adrenergic Recepto

>  <Form> (945)
Free Base

>  <URL> (945)
http://www.selleckchem.com/products/Silodosin(Rapaflo).html

>  <CAS Number> (945)
160970-54-7

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/08251616502D

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>  <Mol_ID> (946)
2104

>  <Formula> (946)
C36H53N7O6

>  <MolWeight> (946)
679.84932

>  <Item Name> (946)
Telaprevir (VX-950)

>  <Catalog Number> (946)
S1538

>  <Synonyms> (946)
LY-570310, MP-424

>  <Target> (946)
HCV Protease

>  <Form> (946)
Free Base

>  <URL> (946)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

>  <CAS Number> (946)
402957-28-2

$$$$
trimipramine maleate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (947)
2109

>  <Formula> (947)
C24H30N2O4

>  <MolWeight> (947)
410.506

>  <Item Name> (947)
trimipramine maleate

>  <Catalog Number> (947)
S4416 

>  <Synonyms> (947)
N/A

>  <Target> (947)
Others

>  <Form> (947)
maleate

>  <URL> (947)
http://www.selleckchem.com/products/trimipramine-maleate.html

>  <CAS Number> (947)
521-78-8

$$$$
Aceclidine Hydrochloride.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (948)
2141

>  <Formula> (948)
C9H16ClNO2

>  <MolWeight> (948)
205.68184

>  <Item Name> (948)
Aceclidine HCl

>  <Catalog Number> (948)
S4376

>  <Synonyms> (948)
N/A

>  <Target> (948)
Others

>  <Form> (948)
HCl

>  <URL> (948)
http://www.selleckchem.com/products/aceclidine-hcl.html

>  <CAS Number> (948)
6109-70-2

$$$$
Difluoxacin hydrochloride .cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (949)
2142

>  <Formula> (949)
C21H20ClF2N3O3

>  <MolWeight> (949)
435.8516064

>  <Item Name> (949)
Difloxacin HCl

>  <Catalog Number> (949)
S4384

>  <Synonyms> (949)
N/A

>  <Target> (949)
Others

>  <Form> (949)
HCl

>  <URL> (949)
http://www.selleckchem.com/products/difloxacin-hcl.html

>  <CAS Number> (949)
91296-86-5

$$$$
Vinorelbine tartrate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (950)
2201

>  <Formula> (950)
C53H66N4O20

>  <MolWeight> (950)
1079.10594

>  <Item Name> (950)
Vinorelbine Tartrate

>  <Catalog Number> (950)
S4269

>  <Synonyms> (950)
N/A

>  <Target> (950)
Microtubule Associated

>  <Form> (950)
Salt

>  <URL> (950)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (950)
125317-39-7

$$$$
Vincristine Sulfate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (951)
2239

>  <Formula> (951)
C46H58N4O14S

>  <MolWeight> (951)
923.03612

>  <Item Name> (951)
Vincristine Sulfate

>  <Catalog Number> (951)
S1241

>  <Synonyms> (951)
N/A

>  <Target> (951)
Autophagy,Microtubule Associated

>  <Form> (951)
Sulfate

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

>  <CAS Number> (951)
2068-78-2

$$$$
Ospemifene.cdx
csChFnd80/08251616502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (952)
2280

>  <Formula> (952)
C24H23ClO2

>  <MolWeight> (952)
378.89122

>  <Item Name> (952)
Ospemifene

>  <Catalog Number> (952)
S4285

>  <Synonyms> (952)
N/A

>  <Target> (952)
Estrogen/progestogen Receptor

>  <Form> (952)
Free Base

>  <URL> (952)
http://www.selleckchem.com/products/ospemifene.html

>  <CAS Number> (952)
128607-22-7

$$$$
Nelfinavir mesylate .cdx
csChFnd80/08251616502D

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   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    6.3000    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
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  8 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  0  0  0  0
  5 34  1  6  0  0  0
  4 35  1  6  0  0  0
 25 36  2  0  0  0  0
 24 37  2  0  0  0  0
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 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
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M  END
>  <Mol_ID> (953)
2283

>  <Formula> (953)
C33H49N3O7S2

>  <MolWeight> (953)
663.88806

>  <Item Name> (953)
Nelfinavir Mesylate

>  <Catalog Number> (953)
S4282

>  <Synonyms> (953)
N/A

>  <Target> (953)
HIV Protease

>  <Form> (953)
Salt

>  <URL> (953)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (953)
159989-65-8

$$$$
Rotigotine.cdx
csChFnd80/08251616502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    7.0655    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 12  1  1  0  0  0
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M  END
>  <Mol_ID> (954)
2301

>  <Formula> (954)
C19H25NOS

>  <MolWeight> (954)
315.4729

>  <Item Name> (954)
Rotigotine

>  <Catalog Number> (954)
S4274

>  <Synonyms> (954)
N/A

>  <Target> (954)
Dopamine Receptor

>  <Form> (954)
Free Base

>  <URL> (954)
http://www.selleckchem.com/products/rotigotine.html

>  <CAS Number> (954)
99755-59-6

$$$$
Meclofenamate sodium.cdx
csChFnd80/08251616502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (955)
2317

>  <Formula> (955)
C14H10Cl2NNaO2

>  <MolWeight> (955)
318.13047

>  <Item Name> (955)
Meclofenamate sodium

>  <Catalog Number> (955)
S4295

>  <Synonyms> (955)
N/A

>  <Target> (955)
COX

>  <Form> (955)
Free Base

>  <URL> (955)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (955)
6385-02-0

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/08251616502D

 86 85  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (956)
2321

>  <Formula> (956)
C64H110N6O16

>  <MolWeight> (956)
1219.5888

>  <Item Name> (956)
Aliskiren Hemifumarate

>  <Catalog Number> (956)
S2199

>  <Synonyms> (956)
N/A

>  <Target> (956)
RAAS

>  <Form> (956)
Free Base

>  <URL> (956)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (956)
173334-58-2

$$$$
Bepotastine besilate.cdx
csChFnd80/08251616502D

 37 39  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.0804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (957)
2322

>  <Formula> (957)
C27H31ClN2O6S

>  <MolWeight> (957)
547.06284

>  <Item Name> (957)
Bepotastine Besilate

>  <Catalog Number> (957)
S3037

>  <Synonyms> (957)
N/A

>  <Target> (957)
Histamine Receptor

>  <Form> (957)
Free Base

>  <URL> (957)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (957)
190786-44-8

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/08251616502D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (958)
2324

>  <Formula> (958)
C24H25ClFN5O3

>  <MolWeight> (958)
485.9384032

>  <Item Name> (958)
Afatinib (BIBW2992)

>  <Catalog Number> (958)
S1011

>  <Synonyms> (958)
N/A

>  <Target> (958)
EGFR

>  <Form> (958)
Free Base

>  <URL> (958)
http://www.selleckchem.com/products/BIBW2992.html

>  <CAS Number> (958)
439081-18-2

$$$$
Caspofungin acetate.cdx
csChFnd80/08251616502D

 90 91  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (959)
2325

>  <Formula> (959)
C56H96N10O19

>  <MolWeight> (959)
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>  <Item Name> (959)
Caspofungin Acetate

>  <Catalog Number> (959)
S3073

>  <Synonyms> (959)
N/A

>  <Target> (959)
Others

>  <Form> (959)
Free Base

>  <URL> (959)
http://www.selleckchem.com/products/caspofungin-acetate.html

>  <CAS Number> (959)
179463-17-3

$$$$
Doripenem Hydrate.cdx
csChFnd80/08251616502D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (960)
2327

>  <Formula> (960)
C15H26N4O7S2

>  <MolWeight> (960)
438.51954

>  <Item Name> (960)
Doripenem Hydrate

>  <Catalog Number> (960)
S1374

>  <Synonyms> (960)
S-4661

>  <Target> (960)
Others

>  <Form> (960)
Free Base

>  <URL> (960)
http://www.selleckchem.com/products/Doripenem-Hydrate.html

>  <CAS Number> (960)
364622-82-2

$$$$
Fesoterodine fumarate.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (961)
2328

>  <Formula> (961)
C30H41NO7

>  <MolWeight> (961)
527.64904

>  <Item Name> (961)
Fesoterodine Fumarate

>  <Catalog Number> (961)
S2240

>  <Synonyms> (961)
N/A

>  <Target> (961)
AChR

>  <Form> (961)
Free Base

>  <URL> (961)
http://www.selleckchem.com/products/Fesoterodine-fumarate-Toviaz.html

>  <CAS Number> (961)
286930-03-8

$$$$
Fosaprepitant dimeglumine.cdx
csChFnd80/08251616502D

 67 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (962)
2329

>  <Formula> (962)
C37H56F7N6O16P

>  <MolWeight> (962)
1004.8337234

>  <Item Name> (962)
Fosaprepitant dimeglumine salt

>  <Catalog Number> (962)
S3038

>  <Synonyms> (962)
MK-0517

>  <Target> (962)
Others

>  <Form> (962)
Salt

>  <URL> (962)
http://www.selleckchem.com/products/fosaprepitant.html

>  <CAS Number> (962)
265121-04-8

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/08251616502D

 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
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (963)
2332

>  <Formula> (963)
C22H26ClF2NO4

>  <MolWeight> (963)
441.8959464

>  <Item Name> (963)
Nebivolol

>  <Catalog Number> (963)
S1549

>  <Synonyms> (963)
N/A

>  <Target> (963)
Adrenergic Receptor

>  <Form> (963)
Free Base

>  <URL> (963)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (963)
152520-56-4

$$$$
Ouabain Octahydrate.cdx
csChFnd80/08251616502D

 51 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (964)
2333

>  <Formula> (964)
C29H60O20

>  <MolWeight> (964)
728.7747

>  <Item Name> (964)
Ouabain

>  <Catalog Number> (964)
S4016

>  <Synonyms> (964)
N/A

>  <Target> (964)
Sodium Channel

>  <Form> (964)
Free Base

>  <URL> (964)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (964)
630-60-4

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (965)
2334

>  <Formula> (965)
C44H69NO12

>  <MolWeight> (965)
804.01816

>  <Item Name> (965)
Tacrolimus (FK506)

>  <Catalog Number> (965)
S5003

>  <Synonyms> (965)
FR900506

>  <Target> (965)
Others

>  <Form> (965)
Free Base

>  <URL> (965)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

>  <CAS Number> (965)
104987-11-3

$$$$
Rosuvastatin calcium.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (966)
2335

>  <Formula> (966)
C44H54CaF2N6O12S2

>  <MolWeight> (966)
1001.1373664

>  <Item Name> (966)
Rosuvastatin Calcium

>  <Catalog Number> (966)
S2169

>  <Synonyms> (966)
ZD4522

>  <Target> (966)
HMG-CoA Reductase

>  <Form> (966)
Free Base

>  <URL> (966)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

>  <CAS Number> (966)
147098-20-2

$$$$
R-Ruxolitinib.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (967)
2336

>  <Formula> (967)
C17H18N6

>  <MolWeight> (967)
306.36502

>  <Item Name> (967)
Ruxolitinib (INCB018424)

>  <Catalog Number> (967)
S1378

>  <Synonyms> (967)
N/A

>  <Target> (967)
JAK

>  <Form> (967)
Free Base

>  <URL> (967)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (967)
941678-49-5

$$$$
Temsirolimus.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (968)
2338

>  <Formula> (968)
C56H87NO16

>  <MolWeight> (968)
1030.28708

>  <Item Name> (968)
Temsirolimus (CCI-779, NSC 683864)

>  <Catalog Number> (968)
S1044

>  <Synonyms> (968)
N/A

>  <Target> (968)
mTOR

>  <Form> (968)
Free Base

>  <URL> (968)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (968)
162635-04-3

$$$$
Mupirocin .cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (969)
2349

>  <Formula> (969)
C26H44O9

>  <MolWeight> (969)
500.62216

>  <Item Name> (969)
Mupirocin

>  <Catalog Number> (969)
S4297

>  <Synonyms> (969)
N/A

>  <Target> (969)
DNA/RNA Synthesis

>  <Form> (969)
Free Base

>  <URL> (969)
http://www.selleckchem.com/products/mupirocin.html

>  <CAS Number> (969)
12650-69-0

$$$$
Ketorolac.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (970)
2404

>  <Formula> (970)
C15H13NO3

>  <MolWeight> (970)
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>  <Item Name> (970)
Ketorolac

>  <Catalog Number> (970)
S1646

>  <Synonyms> (970)
N/A

>  <Target> (970)
COX

>  <Form> (970)
Free Base

>  <URL> (970)
http://www.selleckchem.com/products/Ketorolac-Tromethamine(Toradol).html

>  <CAS Number> (970)
74103-07-4

$$$$
PF-2341066.cdx
csChFnd80/08251616502D

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>  <Formula> (971)
C21H22Cl2FN5O

>  <MolWeight> (971)
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>  <Item Name> (971)
Crizotinib (PF-02341066)

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S1068

>  <Synonyms> (971)
N/A 

>  <Target> (971)
c-Met, ALK

>  <URL> (971)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (971)
877399-52-5, 877399-53-6 (acetate)

$$$$
Ulipristal.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (972)
2529

>  <Formula> (972)
C28H35NO3

>  <MolWeight> (972)
433.5824

>  <Item Name> (972)
Ulipristal

>  <Catalog Number> (972)
S3081

>  <Synonyms> (972)
CDB-2914

>  <Target> (972)
Estrogen/progestogen Receptor

>  <Form> (972)
Free Base

>  <URL> (972)
http://www.selleckchem.com/products/ulipristal.html

>  <CAS Number> (972)
159811-51-5

$$$$
Eltrombopag diethanolamine salt.cdx
csChFnd80/08251616502D

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>  <Mol_ID> (973)
2539

>  <Formula> (973)
C29H36N6O6

>  <MolWeight> (973)
564.63274

>  <Item Name> (973)
Eltrombopag olamine

>  <Catalog Number> (973)
S2229

>  <Synonyms> (973)
SB-497115-GR, SB497115

>  <Target> (973)
Others

>  <Form> (973)
Free Base

>  <URL> (973)
http://www.selleckchem.com/products/Eltrombopag-SB-497115-GR.html

>  <CAS Number> (973)
496775-62-3

$$$$
S3027.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (974)
2567

>  <Formula> (974)
C30H30CaO8

>  <MolWeight> (974)
558.6324

>  <Item Name> (974)
Fenoprofen calcium hydrate

>  <Catalog Number> (974)
S3027

>  <Synonyms> (974)
N/A

>  <Target> (974)
Others

>  <Form> (974)
Free Base

>  <URL> (974)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (974)
71720-56-4

$$$$
S4059.cdx
csChFnd80/08251616502D

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M  END
>  <Mol_ID> (975)
2568

>  <Formula> (975)
C5FeN6Na2O

>  <MolWeight> (975)
261.91764

>  <Item Name> (975)
Sodium Nitroprusside

>  <Catalog Number> (975)
S4059

>  <Synonyms> (975)
N/A

>  <Target> (975)
Others

>  <Form> (975)
Free Base

>  <URL> (975)
http://www.selleckchem.com/products/sodium-nitroprusside.html

>  <CAS Number> (975)
14402-89-2

$$$$
Sertaconazole nitrate.cdx
csChFnd80/08251616502D

 31 33  0  0  0  0  0  0  0  0999 V2000
   11.1920    5.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3661    4.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7 16  1  0  0  0  0
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 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (976)
2570

>  <Formula> (976)
C20H16Cl3N3O4S

>  <MolWeight> (976)
500.78274

>  <Item Name> (976)
Sertaconazole nitrate

>  <Catalog Number> (976)
S3161

>  <Synonyms> (976)
FI-7045

>  <Target> (976)
Others

>  <Form> (976)
Nitrate

>  <URL> (976)
http://www.selleckchem.com/products/sertaconazole-nitrate.html

>  <CAS Number> (976)
99592-39-9

$$$$
Pyrilamine Maleate.cdx
csChFnd80/08251616502D

 29 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    5.3411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 14  9  1  0  0  0  0
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 24 28  2  0  0  0  0
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M  END
>  <Mol_ID> (977)
2572

>  <Formula> (977)
C21H27N3O5

>  <MolWeight> (977)
401.45618

>  <Item Name> (977)
Pyrilamine maleate

>  <Catalog Number> (977)
S4382 

>  <Synonyms> (977)
Mepyramine Maleate

>  <Target> (977)
Others

>  <Form> (977)
maleate

>  <URL> (977)
http://www.selleckchem.com/products/pyrila

>  <CAS Number> (977)
59-33-6

$$$$
Vinblastine sulfate.cdx
csChFnd80/08251616502D

 67 74  0  0  0  0  0  0  0  0999 V2000
   10.3017    8.1853    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5141    8.8853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2230   10.2547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8456    8.4527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.5949   10.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2634   11.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017    9.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6615   11.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3745   10.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (978)
2678

>  <Formula> (978)
C46H60N4O13S

>  <MolWeight> (978)
909.0526

>  <Item Name> (978)
Vinblastine sulfate 

>  <Catalog Number> (978)
S4505

>  <Synonyms> (978)
NSC49842

>  <Target> (978)
Microtubule Associated

>  <Form> (978)
sulfate

>  <URL> (978)
http://www.selleckchem.com/products/vinblastine-sulfate.html

>  <CAS Number> (978)
143-67-9

$$$$
