
  -ISIS-  11270914432D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.3167    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042    1.6333    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.0792    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042    1.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    0.4000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7792    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
  5  4  2  0  0  0  0
 12  8  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <product.code> (S1523)  
S1523

> <IUPAC.name> (S1523)  
1-(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)piperazine

> <CAS.no> (S1523)  
198209-80-2

> <categories> (S1523)  
HC; PZ; T

> <other.names> (S1523)  
piperazine, 1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)-


> <publish> (S1523)  
true

$$$$

  -ISIS-  11270914432D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    1.5833   -0.4000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.2875   -1.4167    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3667   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1750   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3208    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1375    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1083    3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250    3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 20  2  0  0  0  0
  4  5  1  0  0  0  0
  7 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <product.code> (S1536)  
S1536

> <IUPAC.name> (S1536)  
1-piperazinecarboxylic acid, 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-, ethyl ester

> <CAS.no> (S1536)  
948005-96-7

> <categories> (S1536)  
AM; HC; PZ

> <publish> (S1536)  
true

$$$$

  -ISIS-  11270914432D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    1.7792    1.5083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3583    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0750   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2125    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  4 12  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8 15  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  2  0  0  0  0
 11  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 11  4  1  0  0  0  0
 13  8  1  0  0  0  0
M  CHG  2   1   1   5  -1
M  END
> <product.code> (S1713)  
S1713

> <IUPAC.name> (S1713)  
3-methyl-1-(4-nitrophenyl)piperazine

> <CAS.no> (S1713)  
329922-44-3

> <categories> (S1713)  
AM; HC; NT; PZ

> <publish> (S1713)  
true

$$$$

  -ISIS-  11270914432D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    6.3292   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1792   -6.3167    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
  4 13  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
  4 12  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
> <product.code> (S1887)  
S1887

> <IUPAC.name> (S1887)  
1-(4-benzyl-1-piperazinyl)-2,2,2-trifluoro-1-ethanone

> <CAS.no> (S1887)  
2803-00-1

> <categories> (S1887)  
FL; HC; PZ

> <publish> (S1887)  
true

$$$$

  -ISIS-  12091012012D

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    5.1375   -2.3917    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
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 14  1  1  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
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 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 17  2  0  0  0  0
 23 17  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  2  0  0  0  0
 26 19  2  0  0  0  0
 27 20  1  0  0  0  0
 28 21  2  0  0  0  0
 29 18  1  0  0  0  0
 30 23  2  0  0  0  0
 31 24  2  0  0  0  0
 32 25  1  0  0  0  0
 33 22  1  0  0  0  0
 34 26  1  0  0  0  0
 35 31  1  0  0  0  0
 36 27  2  0  0  0  0
 37 30  1  0  0  0  0
  2  6  1  0  0  0  0
 32 35  2  0  0  0  0
 33 37  2  0  0  0  0
 29 34  2  0  0  0  0
 28 36  1  0  0  0  0
M  CHG  2   1   1  38  -1
M  END
> <product.code> (S3084)  
S3084

> <IUPAC.name> (S3084)  
4-benzhydryl-1,1-bis[(2E)-3-phenylprop-2-enyl]piperazin-1-ium bromide

> <CAS.no> (S3084)  
-

> <categories> (S3084)  
HC; PZ

> <publish> (S3084)  
true

$$$$

  -ISIS-  12091012012D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    4.5953   -7.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863   -4.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1785   -3.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8381  -10.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5227   -3.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2793   -2.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6165   -9.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1046   -2.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651   -8.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0094  -10.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11 17  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
 24 16  2  0  0  0  0
 25 16  1  0  0  0  0
 26 21  2  0  0  0  0
 27 18  1  0  0  0  0
 28 19  2  0  0  0  0
 29 20  1  0  0  0  0
 30 25  2  0  0  0  0
 31 22  1  0  0  0  0
 32 23  2  0  0  0  0
 33 24  1  0  0  0  0
 34 26  1  0  0  0  0
 35 32  1  0  0  0  0
 36 28  1  0  0  0  0
 37 30  1  0  0  0  0
  9  2  1  0  0  0  0
 29 34  2  0  0  0  0
 27 36  2  0  0  0  0
 31 35  2  0  0  0  0
 33 37  2  0  0  0  0
M  END
> <product.code> (S3085)  
S3085

> <IUPAC.name> (S3085)  
1-benzhydryl-4-{(3E)-4-phenyl-1-[(E)-2-phenylvinyl]but-3-enyl}piperazine

> <CAS.no> (S3085)  
-

> <categories> (S3085)  
HC; PZ

> <publish> (S3085)  
true

$$$$

  -ISIS-  12091012012D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.2667   -3.8125    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8417   -2.9875    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.9792   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8375   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -5.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6917   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  2  0  0  0  0
 15  9  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
  7  2  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <product.code> (S3102)  
S3102

> <IUPAC.name> (S3102)  
1-(chloroacetyl)-4-(2-fluorophenyl)piperazine

> <CAS.no> (S3102)  
-

> <categories> (S3102)  
HA; HC; PZ

> <publish> (S3102)  
true

$$$$

  -ISIS-  12091012012D

 10 10  0  0  0  0  0  0  0  0999 V2000
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    7.4375   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7208   -5.5125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4333   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5833   -4.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1500   -5.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0083   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <product.code> (S3775)  
S3775

> <IUPAC.name> (S3775)  
2-Piperidinecarboxylic acid, 5-oxo-

> <CAS.no> (S3775)  
789448-80-2

> <categories> (S3775)  
AC; AK; HC; PZ

> <publish> (S3775)  
true

$$$$

