Cilnidipine.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (1)
181

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C27H28N2O7

>  <MolWeight> (1)
492.52042

>  <Item Name> (1)
Cilnidipine

>  <Catalog Number> (1)
S1293

>  <Synonyms> (1)
FRC 8653

>  <Target> (1)
Calcium Channel

>  <Form> (1)
Free Base

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

>  <CAS Number> (1)
132203-70-4

>  <ALogP> (1)
3.686

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1

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Cilnidipine.cdx

$$$$
Felodipine.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (2)
188

>  <Formula> (2)
C18H19Cl2NO4

>  <MolWeight> (2)
384.25376

>  <Item Name> (2)
Felodipine (Plendil)

>  <Catalog Number> (2)
S1885

>  <Synonyms> (2)
Renedil, Feloday

>  <Target> (2)
NULL

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
72509-76-3

>  <ALogP> (2)
3.549

>  <HBA_Count> (2)
4

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1

>  <Num_RotatableBonds> (2)
6

>  <Name> (2)
Felodipine.cdx

$$$$
Etomidate.cdx
csChFnd80/10201610332D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3)
229

>  <Formula> (3)
C14H16N2O2

>  <MolWeight> (3)
244.28904

>  <Item Name> (3)
Etomidate

>  <Catalog Number> (3)
S1329

>  <Synonyms> (3)
Amidate

>  <Target> (3)
GABA Receptor

>  <Form> (3)
Free Base

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

>  <CAS Number> (3)
33125-97-2

>  <ALogP> (3)
2.379

>  <HBA_Count> (3)
3

>  <HBD_Count> (3)
0

>  <Num_RotatableBonds> (3)
5

>  <Name> (3)
Etomidate.cdx

$$$$
Flumazenil.cdx
csChFnd80/10201610332D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4)
231

>  <Formula> (4)
C15H14FN3O3

>  <MolWeight> (4)
303.2883632

>  <Item Name> (4)
Flumazenil

>  <Catalog Number> (4)
S1332

>  <Synonyms> (4)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (4)
GABA Receptor

>  <Form> (4)
Free Base

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

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

>  <ALogP> (4)
1.583

>  <HBA_Count> (4)
4

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0

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3

>  <Name> (4)
Flumazenil.cdx

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (5)
280

>  <Formula> (5)
C24H35Cl2N3O4

>  <MolWeight> (5)
500.4584

>  <Item Name> (5)
Ranolazine dihydrochloride

>  <Catalog Number> (5)
S1425

>  <Synonyms> (5)
RS 43285-193, RS-43285, Ranexa, renolazine

>  <Target> (5)
Calcium Channel

>  <Form> (5)
Dihydrochloride

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

>  <CAS Number> (5)
95635-56-6

>  <ALogP> (5)
3.755

>  <HBA_Count> (5)
3

>  <HBD_Count> (5)
2

>  <Num_RotatableBonds> (5)
9

>  <Name> (5)
Ranolazine dihydrochloride.cdx

$$$$
Repaglinide.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (6)
281

>  <Formula> (6)
C27H36N2O4

>  <MolWeight> (6)
452.58574

>  <Item Name> (6)
Repaglinide

>  <Catalog Number> (6)
S1426

>  <Synonyms> (6)
Prandin, GlucoNorm, NovoNorm

>  <Target> (6)
Potassium Channel

>  <Form> (6)
Free Base

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

>  <CAS Number> (6)
135062-02-1

>  <ALogP> (6)
5.307

>  <HBA_Count> (6)
3

>  <HBD_Count> (6)
1

>  <Num_RotatableBonds> (6)
10

>  <Name> (6)
Repaglinide.cdx

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/10201610332D

 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
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M  END
>  <Mol_ID> (7)
388

>  <Formula> (7)
C8H5F3N2OS

>  <MolWeight> (7)
234.1983096

>  <Item Name> (7)
Riluzole (Rilutek)

>  <Catalog Number> (7)
S1614

>  <Synonyms> (7)
PK-26124, RP-54274, Rilutek

>  <Target> (7)
Sodium Channel

>  <Form> (7)
Free Base

>  <URL> (7)
http://www.selleckchem.com/products/Riluzole(Rilutek).html

>  <CAS Number> (7)
1744-22-5

>  <ALogP> (7)
3.828

>  <HBA_Count> (7)
2

>  <HBD_Count> (7)
1

>  <Num_RotatableBonds> (7)
2

>  <Name> (7)
RILUZOLE (riluzole).cdx

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/10201610332D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (8)
420

>  <Formula> (8)
C19H21N3O5

>  <MolWeight> (8)
371.38714

>  <Item Name> (8)
Isradipine (Dynacirc)

>  <Catalog Number> (8)
S1662

>  <Synonyms> (8)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin

>  <Target> (8)
Others

>  <Form> (8)
Free Base

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

>  <CAS Number> (8)
75695-93-1

>  <ALogP> (8)
2.168

>  <HBA_Count> (8)
7

>  <HBD_Count> (8)
1

>  <Num_RotatableBonds> (8)
6

>  <Name> (8)
DYNACIRC (isradipine).cdx

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (9)
438

>  <Formula> (9)
C15H12N2O

>  <MolWeight> (9)
236.26858

>  <Item Name> (9)
Carbamazepine (Carbatrol)

>  <Catalog Number> (9)
S1693

>  <Synonyms> (9)
Equetro, Tegretol, Biston

>  <Target> (9)
Others

>  <Form> (9)
Free Base

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

>  <CAS Number> (9)
298-46-4

>  <ALogP> (9)
2.679

>  <HBA_Count> (9)
1

>  <HBD_Count> (9)
1

>  <Num_RotatableBonds> (9)
0

>  <Name> (9)
CARBAMAZEPINE (carbamazepine).cdx

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/10201610332D

 30 31  0  0  0  0  0  0  0  0999 V2000
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    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
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   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> (10)
468

>  <Formula> (10)
C21H26N2O7

>  <MolWeight> (10)
418.44034

>  <Item Name> (10)
Nimodipine (Nimotop)

>  <Catalog Number> (10)
S1747

>  <Synonyms> (10)
Nimotop

>  <Target> (10)
Others

>  <Form> (10)
Free Base

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

>  <CAS Number> (10)
66085-59-4

>  <ALogP> (10)
2.361

>  <HBA_Count> (10)
5

>  <HBD_Count> (10)
1

>  <Num_RotatableBonds> (10)
10

>  <Name> (10)
NIMOTOP (nimodipine).cdx

$$$$
Amlodipine besylate.cdx
csChFnd80/10201610332D

 38 39  0  0  0  0  0  0  0  0999 V2000
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    8.4660    4.8927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4660    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   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
    4.8329    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4618    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5620    4.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5620    3.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7744    2.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9869    3.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7744    5.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3538    2.4451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.1413    1.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6562    3.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0513    1.2369    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  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  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
  3 17  1  0  0  0  0
 17 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
  4 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 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 23 28  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (11)
495

>  <Formula> (11)
C26H31ClN2O8S

>  <MolWeight> (11)
567.05094

>  <Item Name> (11)
Amlodipine besylate (Norvasc)

>  <Catalog Number> (11)
S1813

>  <Synonyms> (11)
Istin

>  <Target> (11)
Others

>  <Form> (11)
Besylate

>  <URL> (11)
selleckchem.com/products/Amlodipine-besylate(Norvasc).html

>  <CAS Number> (11)
111470-99-6

>  <ALogP> (11)
2.739

>  <HBA_Count> (11)
5

>  <HBD_Count> (11)
2

>  <Num_RotatableBonds> (11)
11

>  <Name> (11)
Amlodipine besylate.cdx

$$$$
Nefiracetam.cdx
csChFnd80/10201610332D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    5.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    3.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  2  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (12)
510

>  <Formula> (12)
C14H18N2O2

>  <MolWeight> (12)
246.30492

>  <Item Name> (12)
Nefiracetam (Translon)

>  <Catalog Number> (12)
S1969

>  <Synonyms> (12)
DM 9384, Translon, DZL-221

>  <Target> (12)
GABA Receptor

>  <Form> (12)
Free Base

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

>  <CAS Number> (12)
77191-36-7

>  <ALogP> (12)
1.443

>  <HBA_Count> (12)
2

>  <HBD_Count> (12)
1

>  <Num_RotatableBonds> (12)
3

>  <Name> (12)
Nefiracetam.cdx

$$$$
Nicorandil.cdx
csChFnd80/10201610332D

 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
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (13)
511

>  <Formula> (13)
C8H9N3O4

>  <MolWeight> (13)
211.17476

>  <Item Name> (13)
Nicorandil (Ikorel)

>  <Catalog Number> (13)
S1971

>  <Synonyms> (13)
Ikorel, Dancor, Nikoran, Aprior, Nitorubin, Sigmart

>  <Target> (13)
Others

>  <Form> (13)
Free Base

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

>  <CAS Number> (13)
65141-46-0

>  <ALogP> (13)
1.758

>  <HBA_Count> (13)
3

>  <HBD_Count> (13)
1

>  <Num_RotatableBonds> (13)
5

>  <Name> (13)
Nicorandil.cdx

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/10201610332D

 28 29  0  0  0  0  0  0  0  0999 V2000
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    6.0622    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.9024    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 17 12  1  0  0  0  0
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  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  2  0  0  0  0
 13 28  1  0  0  0  0
M  END
>  <Mol_ID> (14)
637

>  <Formula> (14)
C20H25ClN2O5

>  <MolWeight> (14)
408.8759

>  <Item Name> (14)
Amlodipine (Norvasc)

>  <Catalog Number> (14)
S1905

>  <Synonyms> (14)
Istin, Norvasc, Caduet

>  <Target> (14)
Calcium Channel

>  <Form> (14)
Free Base

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

>  <CAS Number> (14)
88150-42-9

>  <ALogP> (14)
1.576

>  <HBA_Count> (14)
5

>  <HBD_Count> (14)
2

>  <Num_RotatableBonds> (14)
10

>  <Name> (14)
AMLODIPINE (amlodipine).cdx

$$$$
Tolbutamide.cdx
csChFnd80/10201610332D

 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
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    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
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
  4  5  2  0  0  0  0
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  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
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 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
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 14 15  1  0  0  0  0
 12 14  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (15)
650

>  <Formula> (15)
C12H18N2O3S

>  <MolWeight> (15)
270.34792

>  <Item Name> (15)
Tolbutamide

>  <Catalog Number> (15)
S2443

>  <Synonyms> (15)
N/A

>  <Target> (15)
Potassium Channel

>  <Form> (15)
Free Base

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

>  <CAS Number> (15)
64-77-7

>  <ALogP> (15)
2.336

>  <HBA_Count> (15)
3

>  <HBD_Count> (15)
2

>  <Num_RotatableBonds> (15)
5

>  <Name> (15)
Tolbutamide.cdx

$$$$
Chlorpromazine HCl.cdx
csChFnd80/10201610332D

 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
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    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
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    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 10  4  1  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  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> (16)
696

>  <Formula> (16)
C17H20Cl2N2S

>  <MolWeight> (16)
355.3251

>  <Item Name> (16)
Chlorpromazine (Sonazine)

>  <Catalog Number> (16)
S2456

>  <Synonyms> (16)
Promacid

>  <Target> (16)
Dopamine Receptor, Potassium Channel

>  <Form> (16)
Hydrochloride

>  <URL> (16)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (16)
69-09-0

>  <ALogP> (16)
5.121

>  <HBA_Count> (16)
0

>  <HBD_Count> (16)
0

>  <Num_RotatableBonds> (16)
4

>  <Name> (16)
Chlorpromazine HCl.cdx

$$$$
Manidipine.cdx
csChFnd80/10201610332D

 45 49  0  0  0  0  0  0  0  0999 V2000
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    6.9927    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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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  3 10  1  0  0  0  0
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 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 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 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 27  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 36 37  1  0  0  0  0
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 39 40  2  0  0  0  0
 40 34  1  0  0  0  0
 35 41  2  0  0  0  0
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 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 35  1  0  0  0  0
M  END
>  <Mol_ID> (17)
710

>  <Formula> (17)
C35H38N4O6

>  <MolWeight> (17)
610.69942

>  <Item Name> (17)
Manidipine (Manyper)

>  <Catalog Number> (17)
S2481

>  <Synonyms> (17)
Artedil, Iperten

>  <Target> (17)
Calcium Channel

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/Manidipine(Manyper).html

>  <CAS Number> (17)
89226-50-6

>  <ALogP> (17)
5.058

>  <HBA_Count> (17)
4

>  <HBD_Count> (17)
1

>  <Num_RotatableBonds> (17)
12

>  <Name> (17)
Manidipine.cdx

$$$$
Manidipine HCl.cdx
csChFnd80/10201610332D

 47 49  0  0  0  0  0  0  0  0999 V2000
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9531    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1765    6.6427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7766    6.6427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 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 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 27  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 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 34  1  0  0  0  0
 35 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 35  1  0  0  0  0
M  END
>  <Mol_ID> (18)
717

>  <Formula> (18)
C35H40Cl2N4O6

>  <MolWeight> (18)
683.6213

>  <Item Name> (18)
Manidipine dihydrochloride (CV-4093)

>  <Catalog Number> (18)
S2482

>  <Synonyms> (18)
N/A

>  <Target> (18)
Calcium Channel

>  <Form> (18)
Dihydrochloride

>  <URL> (18)
http://www.selleckchem.com/products/Manidipine-dihydrochloride(CV-4093).html

>  <CAS Number> (18)
89226-75-5

>  <ALogP> (18)
5.822

>  <HBA_Count> (18)
4

>  <HBD_Count> (18)
1

>  <Num_RotatableBonds> (18)
12

>  <Name> (18)
Manidipine HCl.cdx

$$$$
nateglinide.cdx
csChFnd80/10201610332D

 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
   10.8909    4.1976    0.0000 C   0  0  2  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
    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
    7.2578    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  2  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
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0073    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  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> (19)
722

>  <Formula> (19)
C19H27NO3

>  <MolWeight> (19)
317.42258

>  <Item Name> (19)
Nateglinide (Starlix)

>  <Catalog Number> (19)
S2489

>  <Synonyms> (19)
Starlix

>  <Target> (19)
Potassium Channel

>  <Form> (19)
Free Base

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

>  <CAS Number> (19)
105816-04-4

>  <ALogP> (19)
3.981

>  <HBA_Count> (19)
2

>  <HBD_Count> (19)
1

>  <Num_RotatableBonds> (19)
6

>  <Name> (19)
nateglinide.cdx

$$$$
Nitrendipine.cdx
csChFnd80/10201610332D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3879    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6827    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (20)
724

>  <Formula> (20)
C18H20N2O6

>  <MolWeight> (20)
360.3612

>  <Item Name> (20)
Nitrendipine

>  <Catalog Number> (20)
S2491

>  <Synonyms> (20)
N/A

>  <Target> (20)
Calcium Channel

>  <Form> (20)
Free Base

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

>  <CAS Number> (20)
39562-70-4

>  <ALogP> (20)
2.115

>  <HBA_Count> (20)
4

>  <HBD_Count> (20)
1

>  <Num_RotatableBonds> (20)
7

>  <Name> (20)
Nitrendipine.cdx

$$$$
Phenytoin sodium.cdx
csChFnd80/10201610332D

 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> (21)
745

>  <Formula> (21)
C15H11N2NaO2

>  <MolWeight> (21)
274.24981

>  <Item Name> (21)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (21)
S2524

>  <Synonyms> (21)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek

>  <Target> (21)
Sodium Channel

>  <Form> (21)
Sodium Salt

>  <URL> (21)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (21)
630-93-3

>  <ALogP> (21)
2.084

>  <HBA_Count> (21)
2

>  <HBD_Count> (21)
1

>  <Num_RotatableBonds> (21)
2

>  <Name> (21)
Phenytoin sodium.cdx

$$$$
Phenytoin.cdx
csChFnd80/10201610332D

 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> (22)
746

>  <Formula> (22)
C15H12N2O2

>  <MolWeight> (22)
252.26798

>  <Item Name> (22)
Phenytoin (Lepitoin)

>  <Catalog Number> (22)
S2525

>  <Synonyms> (22)
Di-Hydan, Dihycon, Dilabid, Diphedan, Diphenat, Diphenylan, Diphenylhydantoin, Hydantol, Lehydan, NS

>  <Target> (22)
Sodium Channel

>  <Form> (22)
Free Base

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

>  <CAS Number> (22)
57-41-0

>  <ALogP> (22)
2.105

>  <HBA_Count> (22)
2

>  <HBD_Count> (22)
2

>  <Num_RotatableBonds> (22)
2

>  <Name> (22)
Phenytoin.cdx

$$$$
Ginkgolide A.cdx
csChFnd80/10201610332D

 31 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    2.4591    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5544    2.8918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5544    4.2918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2229    4.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8859    2.4591    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7088    3.5918    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8859    4.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5317    2.4591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8631    2.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5317    4.7244    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (23)
827

>  <Formula> (23)
C20H24O9

>  <MolWeight> (23)
408.39916

>  <Item Name> (23)
Ginkgolide A

>  <Catalog Number> (23)
S2026

>  <Synonyms> (23)
BN52020

>  <Target> (23)
GABA Receptor

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/ginkgolide-a.html

>  <CAS Number> (23)
15291-75-5

>  <ALogP> (23)
-0.022

>  <HBA_Count> (23)
7

>  <HBD_Count> (23)
1

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1

>  <Name> (23)
Ginkgolide A.cdx

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (24)
859

>  <Formula> (24)
C6H13Cl2N7O3

>  <MolWeight> (24)
302.11852

>  <Item Name> (24)
Amiloride hydrochloride dihydrate

>  <Catalog Number> (24)
S2560

>  <Synonyms> (24)
MK-870

>  <Target> (24)
Sodium Channel

>  <Form> (24)
Free Base

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

>  <CAS Number> (24)
17440-83-4

>  <ALogP> (24)
-0.78

>  <HBA_Count> (24)
3

>  <HBD_Count> (24)
4

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2

>  <Name> (24)
Amiloride hydrochloride dihydrate.cdx

$$$$
Benidipine hydrochloride.cdx
csChFnd80/10201610332D

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>  <Mol_ID> (25)
883

>  <Formula> (25)
C28H32ClN3O6

>  <MolWeight> (25)
542.02318

>  <Item Name> (25)
Benidipine hydrochloride

>  <Catalog Number> (25)
S2017

>  <Synonyms> (25)
N/A

>  <Target> (25)
calcium channel

>  <Form> (25)
Hydrochloride

>  <URL> (25)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (25)
91599-74-5

>  <ALogP> (25)
4.36

>  <HBA_Count> (25)
4

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1

>  <Num_RotatableBonds> (25)
9

>  <Name> (25)
Benidipine hydrochloride.cdx

$$$$
Lacidipine.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (26)
889

>  <Formula> (26)
C26H33NO6

>  <MolWeight> (26)
455.54332

>  <Item Name> (26)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (26)
S1994

>  <Synonyms> (26)
Lacipil, Motens

>  <Target> (26)
Calcium Channel

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (26)
103890-78-4

>  <ALogP> (26)
3.824

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6

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1

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>  <Name> (26)
Lacidipine.cdx

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (27)
894

>  <Formula> (27)
C15H25ClN2O2

>  <MolWeight> (27)
300.8242

>  <Item Name> (27)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (27)
S2573

>  <Synonyms> (27)
N/A

>  <Target> (27)
Calcium Channel

>  <Form> (27)
Hydrochloride

>  <URL> (27)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (27)
136-47-0

>  <ALogP> (27)
3.343

>  <HBA_Count> (27)
2

>  <HBD_Count> (27)
1

>  <Num_RotatableBonds> (27)
9

>  <Name> (27)
Tetracaine hydrochloride.cdx

$$$$
Gliclazide.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (28)
929

>  <Formula> (28)
C15H21N3O3S

>  <MolWeight> (28)
323.41054

>  <Item Name> (28)
Gliclazide (Diamicron)

>  <Catalog Number> (28)
S2601

>  <Synonyms> (28)
N/A

>  <Target> (28)
Others

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (28)
21187-98-4

>  <ALogP> (28)
1.905

>  <HBA_Count> (28)
3

>  <HBD_Count> (28)
2

>  <Num_RotatableBonds> (28)
3

>  <Name> (28)
Gliclazide.cdx

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (29)
968

>  <Formula> (29)
C25H30ClI2NO3

>  <MolWeight> (29)
681.77254

>  <Item Name> (29)
Amiodarone HCl

>  <Catalog Number> (29)
S1979

>  <Synonyms> (29)
N/A

>  <Target> (29)
Potassium Channel

>  <Form> (29)
Hydrochloride

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

>  <CAS Number> (29)
19774-82-4

>  <ALogP> (29)
7.62

>  <HBA_Count> (29)
3

>  <HBD_Count> (29)
0

>  <Num_RotatableBonds> (29)
11

>  <Name> (29)
Amiodarone hydrochloride.cdx

$$$$
A-803467.cdx
csChFnd80/10201610332D

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>  <Mol_ID> (30)
996

>  <Formula> (30)
C19H16ClNO4

>  <MolWeight> (30)
357.78764

>  <Item Name> (30)
A-803467

>  <Catalog Number> (30)
S2785

>  <Synonyms> (30)
N/A

>  <Target> (30)
Sodium Channel

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/a-803467.html

>  <CAS Number> (30)
944261-79-4

>  <ALogP> (30)
4.451

>  <HBA_Count> (30)
4

>  <HBD_Count> (30)
1

>  <Num_RotatableBonds> (30)
5

>  <Name> (30)
A-803467.cdx

$$$$
Lamotrigine.cdx
csChFnd80/10201610332D

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>  <Mol_ID> (31)
1007

>  <Formula> (31)
C9H7Cl2N5

>  <MolWeight> (31)
256.09138

>  <Item Name> (31)
Lamotrigine

>  <Catalog Number> (31)
S3024

>  <Synonyms> (31)
N/A

>  <Target> (31)
Sodium Channel

>  <Form> (31)
Free Base

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

>  <CAS Number> (31)
84057-84-1

>  <ALogP> (31)
2.426

>  <HBA_Count> (31)
3

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2

>  <Num_RotatableBonds> (31)
1

>  <Name> (31)
Lamotrigine.cdx

$$$$
ML133 HCL.cdx
csChFnd80/10201610332D

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>  <Mol_ID> (32)
1036

>  <Formula> (32)
C19H20ClNO

>  <MolWeight> (32)
313.8212

>  <Item Name> (32)
ML133 HCL

>  <Catalog Number> (32)
S2825

>  <Synonyms> (32)
N/A

>  <Target> (32)
Potassium Channel

>  <Form> (32)
Hydrochloride

>  <URL> (32)
http://www.selleckchem.com/products/Ml-133-hcl.html

>  <CAS Number> (32)
1222781-70-5

>  <ALogP> (32)
4.225

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1

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1

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5

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ML133 HCL.cdx

$$$$
Sodium valproate.cdx
csChFnd80/10201610332D

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>  <Mol_ID> (33)
1039

>  <Formula> (33)
C8H15NaO2

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166.19327

>  <Item Name> (33)
Valproic acid sodium salt (Sodium valproate)

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S1168

>  <Synonyms> (33)
N/A

>  <Target> (33)
GABA Receptor, HDAC

>  <Form> (33)
Free Base

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

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1069-66-5

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1.275

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0

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0

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5

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Sodium valproate.cdx

$$$$
Rufinamide.cdx
csChFnd80/10201610332D

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>  <Mol_ID> (34)
1045

>  <Formula> (34)
C10H8F2N4O

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238.1935264

>  <Item Name> (34)
Rufinamide (Banzel)

>  <Catalog Number> (34)
S1256

>  <Synonyms> (34)
Banzel

>  <Target> (34)
Sodium Channel

>  <Form> (34)
Free Base

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

>  <CAS Number> (34)
106308-44-5

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1.437

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3

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1

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3

>  <Name> (34)
Rufinamide.cdx

$$$$
Gliquidone.cdx
csChFnd80/10201610332D

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>  <Mol_ID> (35)
1061

>  <Formula> (35)
C27H33N3O6S

>  <MolWeight> (35)
527.63242

>  <Item Name> (35)
Gliquidone

>  <Catalog Number> (35)
S3151

>  <Synonyms> (35)
Glurenorm

>  <Target> (35)
Others

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/gliquidone.html

>  <CAS Number> (35)
33342-05-1

>  <ALogP> (35)
4.214

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6

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2

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>  <Name> (35)
Gliquidone.cdx

$$$$
Azelnidipine.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (36)
1109

>  <Formula> (36)
C33H34N4O6

>  <MolWeight> (36)
582.64626

>  <Item Name> (36)
Azelnidipine

>  <Catalog Number> (36)
S3053

>  <Synonyms> (36)
N/A

>  <Target> (36)
Calcium Channel

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (36)
123524-52-7

>  <ALogP> (36)
4.941

>  <HBA_Count> (36)
4

>  <HBD_Count> (36)
2

>  <Num_RotatableBonds> (36)
11

>  <Name> (36)
Azelnidipine.cdx

$$$$
Gambogic acid.cdx
csChFnd80/10201610332D

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 45 41  1  0  0  0  0
 42 46  1  6  0  0  0
 10 46  1  6  0  0  0
M  END
>  <Mol_ID> (37)
1125

>  <Formula> (37)
C38H44O8

>  <MolWeight> (37)
628.75116

>  <Item Name> (37)
Gambogic Acid

>  <Catalog Number> (37)
S2448

>  <Synonyms> (37)
N/A

>  <Target> (37)
Others

>  <Form> (37)
Free Base

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

>  <CAS Number> (37)
2752-65-0

>  <ALogP> (37)
6.957

>  <HBA_Count> (37)
6

>  <HBD_Count> (37)
1

>  <Num_RotatableBonds> (37)
8

>  <Name> (37)
Gambogic acid.cdx

$$$$
Oxcarbazepine.cdx
csChFnd80/10201610332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.2370    2.4097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    2.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    3.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    4.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    5.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    4.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    3.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    3.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2404    1.0485    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
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
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  4 16  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (38)
1192

>  <Formula> (38)
C15H12N2O2

>  <MolWeight> (38)
252.26798

>  <Item Name> (38)
Oxcarbazepine

>  <Catalog Number> (38)
S1391

>  <Synonyms> (38)
Trileptal

>  <Target> (38)
Sodium Channel

>  <Form> (38)
Free Base

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

>  <CAS Number> (38)
28721-07-5

>  <ALogP> (38)
2.131

>  <HBA_Count> (38)
2

>  <HBD_Count> (38)
1

>  <Num_RotatableBonds> (38)
0

>  <Name> (38)
Oxcarbazepine.cdx

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/10201610332D

 32 33  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 30 23  1  0  0  0  0
M  END
>  <Mol_ID> (39)
1212

>  <Formula> (39)
C26H28Cl2F2N2

>  <MolWeight> (39)
477.4167264

>  <Item Name> (39)
Flunarizine 2HCl

>  <Catalog Number> (39)
S2030

>  <Synonyms> (39)
N/A

>  <Target> (39)
Calcium Channel

>  <Form> (39)
2HCl

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

>  <CAS Number> (39)
30484-77-6

>  <ALogP> (39)
6.699

>  <HBA_Count> (39)
0

>  <HBD_Count> (39)
0

>  <Num_RotatableBonds> (39)
6

>  <Name> (39)
Flunarizine dihydrochloride.cdx

$$$$
Cleviprex.cdx
csChFnd80/10201610332D

 30 31  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
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>  <Mol_ID> (40)
1227

>  <Formula> (40)
C21H23Cl2NO6

>  <MolWeight> (40)
456.31642

>  <Item Name> (40)
Cleviprex (Clevidipine)

>  <Catalog Number> (40)
S2080

>  <Synonyms> (40)
N/A

>  <Target> (40)
Calcium Channel

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (40)
167221-71-8

>  <ALogP> (40)
4.145

>  <HBA_Count> (40)
6

>  <HBD_Count> (40)
1

>  <Num_RotatableBonds> (40)
10

>  <Name> (40)
Cleviprex.cdx

$$$$

csChFnd80/10201610332D

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M  END
>  <Mol_ID> (41)
1240

>  <Formula> (41)
C44H76N4O10S2

>  <MolWeight> (41)
885.22504

>  <Item Name> (41)
Ibutilide fumarate

>  <Catalog Number> (41)
S2118

>  <Synonyms> (41)
N/A

>  <Target> (41)
Sodium Channel

>  <Form> (41)
Fumarate

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

>  <CAS Number> (41)
122647-32-9

>  <ALogP> (41)
1.954

>  <HBA_Count> (41)
6

>  <HBD_Count> (41)
4

>  <Num_RotatableBonds> (41)
30

$$$$
Propafenone.cdx
csChFnd80/10201610332D

 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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M  END
>  <Mol_ID> (42)
1247

>  <Formula> (42)
C21H27NO3

>  <MolWeight> (42)
341.44398

>  <Item Name> (42)
Propafenone (Rytmonorm)

>  <Catalog Number> (42)
S2500

>  <Synonyms> (42)
Rythmol SR, Rytmonorm

>  <Target> (42)
Sodium Channel

>  <Form> (42)
Free Base

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

>  <CAS Number> (42)
34183-22-7

>  <ALogP> (42)
3.673

>  <HBA_Count> (42)
2

>  <HBD_Count> (42)
2

>  <Num_RotatableBonds> (42)
11

>  <Name> (42)
Propafenone.cdx

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (43)
1252

>  <Formula> (43)
C19H19N3O6

>  <MolWeight> (43)
385.37066

>  <Item Name> (43)
Nilvadipine (ARC029)

>  <Catalog Number> (43)
S2721

>  <Synonyms> (43)
N/A

>  <Target> (43)
Calcium Channel

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (43)
75530-68-6

>  <ALogP> (43)
2.087

>  <HBA_Count> (43)
4

>  <HBD_Count> (43)
1

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7

>  <Name> (43)
ARC029(Nilvadipine).cdx

$$$$
Niflumic acid.cdx
csChFnd80/10201610332D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (44)
1259

>  <Formula> (44)
C13H9F3N2O2

>  <MolWeight> (44)
282.2179696

>  <Item Name> (44)
Niflumic acid

>  <Catalog Number> (44)
S3018

>  <Synonyms> (44)
N/A

>  <Target> (44)
GABA Receptor

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (44)
4394-00-7

>  <ALogP> (44)
3.34

>  <HBA_Count> (44)
2

>  <HBD_Count> (44)
1

>  <Num_RotatableBonds> (44)
4

>  <Name> (44)
Niflumic acid.cdx

$$$$
Proparacaine hydrochloride.cdx
csChFnd80/10201610332D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (45)
1265

>  <Formula> (45)
C16H27ClN2O3

>  <MolWeight> (45)
330.85018

>  <Item Name> (45)
Proparacaine HCl

>  <Catalog Number> (45)
S1828

>  <Synonyms> (45)
N/A

>  <Target> (45)
Sodium Channel

>  <Form> (45)
HCl

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

>  <CAS Number> (45)
5875-06-9

>  <ALogP> (45)
3.013

>  <HBA_Count> (45)
3

>  <HBD_Count> (45)
1

>  <Num_RotatableBonds> (45)
10

>  <Name> (45)
Proparacaine hydrochloride.cdx

$$$$
TAK-438.cdx
csChFnd80/10201610332D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (46)
1291

>  <Formula> (46)
C21H20FN3O6S

>  <MolWeight> (46)
461.4634032

>  <Item Name> (46)
Vonoprazan Fumarate (TAK-438)

>  <Catalog Number> (46)
S8016

>  <Synonyms> (46)
N/A

>  <Target> (46)
Potassium Channel

>  <Form> (46)
Fumarate

>  <URL> (46)
http://www.selleckchem.com/products/tak-438.html

>  <CAS Number> (46)
1260141-27-2

>  <ALogP> (46)
0.017

>  <HBA_Count> (46)
5

>  <HBD_Count> (46)
1

>  <Num_RotatableBonds> (46)
7

>  <Name> (46)
TAK-438.cdx

$$$$
procaine hydrochloride.cdx
csChFnd80/10201610332D

 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
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M  END
>  <Mol_ID> (47)
1321

>  <Formula> (47)
C13H21ClN2O2

>  <MolWeight> (47)
272.77104

>  <Item Name> (47)
Procaine (Novocaine) HCl

>  <Catalog Number> (47)
S4023

>  <Synonyms> (47)
N/A

>  <Target> (47)
Sodium Channel

>  <Form> (47)
HCl

>  <URL> (47)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (47)
51-05-8

>  <ALogP> (47)
2.157

>  <HBA_Count> (47)
2

>  <HBD_Count> (47)
1

>  <Num_RotatableBonds> (47)
7

>  <Name> (47)
procaine hydrochloride.cdx

$$$$
Dibucaine HCL.cdx
csChFnd80/10201610332D

 26 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (48)
1352

>  <Formula> (48)
C20H30ClN3O2

>  <MolWeight> (48)
379.9241

>  <Item Name> (48)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (48)
S4038

>  <Synonyms> (48)
N/A

>  <Target> (48)
Sodium Channel

>  <Form> (48)
Free Base

>  <URL> (48)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (48)
61-12-1

>  <ALogP> (48)
4.294

>  <HBA_Count> (48)
3

>  <HBD_Count> (48)
1

>  <Num_RotatableBonds> (48)
10

>  <Name> (48)
Dibucaine HCL.cdx

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/10201610332D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (49)
1386

>  <Formula> (49)
C12H11N7

>  <MolWeight> (49)
253.26264

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Triamterene

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S4080

>  <Synonyms> (49)
N/A

>  <Target> (49)
Sodium Channel

>  <Form> (49)
Free Base

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

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396-01-0

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DYRENIUM (triamterene).cdx

$$$$
Tenatoprazole.cdx
csChFnd80/10201610332D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
1833

>  <Formula> (50)
C16H18N4O3S

>  <MolWeight> (50)
346.40412

>  <Item Name> (50)
Tenatoprazole

>  <Catalog Number> (50)
S4212

>  <Synonyms> (50)
N/A

>  <Target> (50)
Proton Pump

>  <Form> (50)
Free Base

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

>  <CAS Number> (50)
113712-98-4

>  <ALogP> (50)
2.488

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6

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1

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5

>  <Name> (50)
Tenatoprazole.cdx

$$$$
Digoxin .cdx
csChFnd80/10201610332D

 61 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (51)
1878

>  <Formula> (51)
C41H64O14

>  <MolWeight> (51)
780.93846

>  <Item Name> (51)
Digoxin

>  <Catalog Number> (51)
S4290

>  <Synonyms> (51)
N/A

>  <Target> (51)
Sodium Channel

>  <Form> (51)
Free Base

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

>  <CAS Number> (51)
20830-75-5

>  <ALogP> (51)
1.999

>  <HBA_Count> (51)
8

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5

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7

>  <Name> (51)
Digoxin .cdx

$$$$
Procainamide hydrochloride.cdx
csChFnd80/10201610332D

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>  <Mol_ID> (52)
1882

>  <Formula> (52)
C13H22ClN3O

>  <MolWeight> (52)
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>  <Item Name> (52)
Procainamide HCl

>  <Catalog Number> (52)
S4294

>  <Synonyms> (52)
N/A

>  <Target> (52)
Sodium Channel

>  <Form> (52)
Salt

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

>  <CAS Number> (52)
614-39-1

>  <ALogP> (52)
1.509

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>  <Name> (52)
Procainamide hydrochloride.cdx

$$$$
Ouabain Octahydrate.cdx
csChFnd80/10201610332D

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M  END
>  <Mol_ID> (53)
1898

>  <Formula> (53)
C29H60O20

>  <MolWeight> (53)
728.7747

>  <Item Name> (53)
Ouabain

>  <Catalog Number> (53)
S4016

>  <Synonyms> (53)
N/A

>  <Target> (53)
Sodium Channel

>  <Form> (53)
Free Base

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

>  <CAS Number> (53)
630-60-4

>  <ALogP> (53)
-3.829

>  <HBA_Count> (53)
4

>  <HBD_Count> (53)
6

>  <Num_RotatableBonds> (53)
4

>  <Name> (53)
Ouabain Octahydrate.cdx

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/10201610332D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (54)
1949

>  <Formula> (54)
C18H29ClN2O

>  <MolWeight> (54)
324.88866

>  <Item Name> (54)
Levobupivacaine HCl

>  <Catalog Number> (54)
S4061

>  <Synonyms> (54)
N/A

>  <Target> (54)
Sodium Channel

>  <Form> (54)
Salt

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

>  <CAS Number> (54)
27262-48-2

>  <ALogP> (54)
4.692

>  <HBA_Count> (54)
1

>  <HBD_Count> (54)
1

>  <Num_RotatableBonds> (54)
5

>  <Name> (54)
levobupivacaine hydrochloride.cdx

$$$$
Endoxifen HCl.cdx
csChFnd80/10201610332D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (55)
2081

>  <Formula> (55)
C25H28ClNO2

>  <MolWeight> (55)
409.94832

>  <Item Name> (55)
Endoxifen HCl

>  <Catalog Number> (55)
S7839

>  <Synonyms> (55)
N/A

>  <Target> (55)
Estrogen/progestogen Receptor

>  <Form> (55)
Salt

>  <URL> (55)
http://www.selleckchem.com/products/endoxifen-hcl.html

>  <CAS Number> (55)
1032008-74-4

>  <ALogP> (55)
5.923

>  <HBA_Count> (55)
1

>  <HBD_Count> (55)
2

>  <Num_RotatableBonds> (55)
8

>  <Name> (55)
Endoxifen HCl.cdx

$$$$
Nefopam HCl.cdx
csChFnd80/10201610332D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (56)
2298

>  <Formula> (56)
C17H20ClNO

>  <MolWeight> (56)
289.7998

>  <Item Name> (56)
Nefopam HCl

>  <Catalog Number> (56)
S4180

>  <Synonyms> (56)
N/A

>  <Target> (56)
Others

>  <Form> (56)
HCl

>  <URL> (56)
http://www.selleckchem.com/products/nefopam-hcl.html

>  <CAS Number> (56)
23327-57-3

>  <ALogP> (56)
3.52

>  <HBA_Count> (56)
1

>  <HBD_Count> (56)
0

>  <Num_RotatableBonds> (56)
1

>  <Name> (56)
Nefopam HCl.cdx

$$$$
Bay K 8644.cdx
csChFnd80/10201610332D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (57)
2409

>  <Formula> (57)
C16H15F3N2O4

>  <MolWeight> (57)
356.2965096

>  <Item Name> (57)
Bay K 8644

>  <Catalog Number> (57)
S7924

>  <Synonyms> (57)
N/A

>  <Target> (57)
Calcium Channel

>  <Form> (57)
Free Base

>  <URL> (57)
http://www.selleckchem.com/products/bay-k-8644.html

>  <CAS Number> (57)
71145-03-4

>  <ALogP> (57)
2.673

>  <HBA_Count> (57)
2

>  <HBD_Count> (57)
1

>  <Num_RotatableBonds> (57)
5

>  <Name> (57)
Bay K 8644.cdx

$$$$
S4597 Lercanidipine (hydrochloride).cdx
csChFnd80/10201610332D

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.6428    5.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 19  1  0  0  0  0
  3 13  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
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 30 31  1  0  0  0  0
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 28 30  1  0  0  0  0
 25 28  1  0  0  0  0
 12 24  1  0  0  0  0
  9 45  1  0  0  0  0
M  END
>  <Mol_ID> (58)
2523

>  <Formula> (58)
C36H42ClN3O6

>  <MolWeight> (58)
648.18818

>  <Item Name> (58)
Lercanidipine (hydrochloride)

>  <Catalog Number> (58)
S4597

>  <Synonyms> (58)
Zanidip (hydrochloride), Masnidipine (hydrochloride)

>  <Target> (58)
Calcium Channel

>  <Form> (58)
Salt

>  <URL> (58)
http://www.selleckchem.com/products/lercanidipine-hydrochloride.html

>  <CAS Number> (58)
132866-11-6

>  <ALogP> (58)
6.514

>  <HBA_Count> (58)
4

>  <HBD_Count> (58)
1

>  <Num_RotatableBonds> (58)
14

>  <Name> (58)
S4597 Lercanidipine (hydrochloride).cdx

$$$$
S4632 Hexachlorophene.cdx
csChFnd80/10201610332D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.8674    3.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2676    4.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1229    1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (59)
2540

>  <Formula> (59)
C13H6Cl6O2

>  <MolWeight> (59)
406.90354

>  <Item Name> (59)
Hexachlorophene

>  <Catalog Number> (59)
S4632

>  <Synonyms> (59)
Hexachlorofen, Fostril, Nabac, pHisoHex

>  <Target> (59)
Potassium Channel

>  <Form> (59)
Free Base

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

>  <CAS Number> (59)
70-30-4

>  <ALogP> (59)
7.307

>  <HBA_Count> (59)
0

>  <HBD_Count> (59)
2

>  <Num_RotatableBonds> (59)
2

>  <Name> (59)
S4632 Hexachlorophene.cdx

$$$$
S4630 Diazoxide.cdx
csChFnd80/10201610332D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (60)
2541

>  <Formula> (60)
C8H7ClN2O2S

>  <MolWeight> (60)
230.67138

>  <Item Name> (60)
Diazoxide

>  <Catalog Number> (60)
S4630

>  <Synonyms> (60)
Sch-6783, SRG-95213, Proglycem

>  <Target> (60)
Potassium Channel

>  <Form> (60)
Free Base

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

>  <CAS Number> (60)
364-98-7

>  <ALogP> (60)
1.196

>  <HBA_Count> (60)
3

>  <HBD_Count> (60)
1

>  <Num_RotatableBonds> (60)
0

>  <Name> (60)
S4630 Diazoxide.cdx

$$$$
S4669 Benzocaine hydrochloride.cdx
csChFnd80/10201610332D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (61)
2621

>  <Formula> (61)
C9H12ClNO2

>  <MolWeight> (61)
201.65008

>  <Item Name> (61)
Benzocaine hydrochloride

>  <Catalog Number> (61)
S4669

>  <Synonyms> (61)
Ethyl 4-aminobenzoate hydrochloride, Benzocaine HCl, Ethyl p-aminobenzoate hydrochloride

>  <Target> (61)
Sodium Channel

>  <Form> (61)
hydrochloride

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

>  <CAS Number> (61)
23239-88-5

>  <ALogP> (61)
1.669

>  <HBA_Count> (61)
2

>  <HBD_Count> (61)
1

>  <Num_RotatableBonds> (61)
3

>  <Name> (61)
S4669 Benzocaine hydrochloride.cdx

$$$$
S4668 Procaine.cdx
csChFnd80/10201610332D

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    4.8498    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (62)
2622

>  <Formula> (62)
C13H20N2O2

>  <MolWeight> (62)
236.3101

>  <Item Name> (62)
Procaine

>  <Catalog Number> (62)
S4668

>  <Synonyms> (62)
Procaine, Novocaine, Vitamin H3, Duracaine, Spinocaine

>  <Target> (62)
Sodium Channel

>  <Form> (62)
Free Base

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

>  <CAS Number> (62)
59-46-1

>  <ALogP> (62)
1.775

>  <HBA_Count> (62)
2

>  <HBD_Count> (62)
1

>  <Num_RotatableBonds> (62)
7

>  <Name> (62)
S4668 Procaine.cdx

$$$$
Vinpocetine.cdx
csChFnd80/10201610332D

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    1.2044    5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (63)
2683

>  <Formula> (63)
C22H26N2O2

>  <MolWeight> (63)
350.45404

>  <Item Name> (63)
Vinpocetine (Cavinton)

>  <Catalog Number> (63)
S2110

>  <Synonyms> (63)
N/A

>  <Target> (63)
Sodium Channel

>  <Form> (63)
Free Base

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

>  <CAS Number> (63)
42971-09-5

>  <ALogP> (63)
4.294

>  <Num_RotatableBonds> (63)
4

>  <Name> (63)
Vinpocetine.cdx

$$$$
