
  -ISIS-  11270914432D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.4417    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0583    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 12  2  0  0  0  0
 22 13  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 18  2  0  0  0  0
 26 11  1  0  0  0  0
 27 23  2  0  0  0  0
 28 25  1  0  0  0  0
 29 20  1  0  0  0  0
 30 21  1  0  0  0  0
  5  3  1  0  0  0  0
 30 26  2  0  0  0  0
 29 19  2  0  0  0  0
 27 22  1  0  0  0  0
 28 24  2  0  0  0  0
M  END
> <product.code> (S0274)  
S0274

> <IUPAC.name> (S0274)  
2,3,4,5-Tetraphenyl-2,4-cyclopentadien-1-one

> <CAS.no> (S0274)  
479-33-4

> <categories> (S0274)  
MI

> <other.names> (S0274)  
Tetraphenylcyclopentadienone


> <publish> (S0274)  
true

$$$$

  -ISIS-  11270914432D

 17 17  0  0  0  0  0  0  0  0999 V2000
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    1.4917    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.3667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.3917    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  6  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  7  2  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  6  4  1  0  0  0  0
 16 14  1  0  0  0  0
M  CHG  2   8  -1  15   1
M  END
> <product.code> (S0550)  
S0550

> <IUPAC.name> (S0550)  
Sodium 3,4-dioxo-3,4-dihydronaphthalene-1-sulfonate

> <CAS.no> (S0550)  
521-24-4

> <categories> (S0550)  
MI

> <other.names> (S0550)  
1,2-Naphthoquinone-4-sulfonic acid, sodium salt


> <publish> (S0550)  
true

$$$$

  -ISIS-  11270914432D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.5375   -1.8792    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.8292    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.6000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.5417   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -1.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708   -1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5458   -2.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11 13  2  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 14  2  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 11  2  1  0  0  0  0
 23 19  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <product.code> (S1520)  
S1520

> <IUPAC.name> (S1520)  
3-(diphenylphosphino)benzenesulfonic acid

> <CAS.no> (S1520)  
16704-71-5

> <categories> (S1520)  
MI

> <other.names> (S1520)  
Benzenesulfonic acid, 4-(diphenylphosphino)- (9CI); 
 
m-(Diphenylphosphino)benzenesulfonic acid


> <publish> (S1520)  
true

$$$$

  -ISIS-  11270914432D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.8417    0.8083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1250    1.2208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4125    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
> <product.code> (S1712)  
S1712

> <IUPAC.name> (S1712)  
4,4-dimethyl-1-phenyl-3-pentanol

> <CAS.no> (S1712)  
18335-33-6

> <categories> (S1712)  
MI

> <publish> (S1712)  
true

$$$$

  -ISIS-  11270914432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.4167   -4.3167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4167   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -4.7292    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1292   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -2.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
  5  7  2  0  0  0  0
M  CHG  2   1   1   4  -1
M  END
> <product.code> (S1750)  
S1750

> <IUPAC.name> (S1750)  
(2-methyl-5-nitrophenyl)methanol

> <CAS.no> (S1750)  
22474-47-1

> <categories> (S1750)  
MI; NT

> <publish> (S1750)  
true

$$$$

  -ISIS-  11270914432D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6792   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -0.5750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2500   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8167   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    0.6583    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 11  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12 22  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  0  0  0  0
 20 19  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 13  2  0  0  0  0
 24 13  1  0  0  0  0
  4  6  1  0  0  0  0
 20 18  1  0  0  0  0
 12 21  2  0  0  0  0
 10  9  2  0  0  0  0
M  END
> <product.code> (S1788)  
S1788

> <IUPAC.name> (S1788)  
4-[5-(4-pyridinyl)-5,6,7,8-tetrahydro-2-naphthalenyl]-1,2-benzenediol

> <CAS.no> (S1788)  
1051380-49-4

> <categories> (S1788)  
MI

> <publish> (S1788)  
true

$$$$

  -ISIS-  11270914432D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.5167   -0.5292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1333   -0.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  4  1  1  0  0  0  0
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  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  8  5  1  0  0  0  0
M  END
> <product.code> (S1794)  
S1794

> <IUPAC.name> (S1794)  
2,2-dimethylcyclopentanol

> <CAS.no> (S1794)  
37617-33-7

> <categories> (S1794)  
MI

> <publish> (S1794)  
true

$$$$

  -ISIS-  11270914432D

 12 13  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
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 10 12  2  0  0  0  0
M  END
> <product.code> (S2044)  
S2044

> <IUPAC.name> (S2044)  
1-Phenyl-1-cyclohexene

> <CAS.no> (S2044)  
771-98-2

> <categories> (S2044)  
MI

> <publish> (S2044)  
true

$$$$

  -ISIS-  11270914432D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.9125   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
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  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
> <product.code> (S2057)  
S2057

> <IUPAC.name> (S2057)  
3,4,5-trimethoxybenzaldehyde oxime

> <CAS.no> (S2057)  
39201-89-3

> <categories> (S2057)  
MI

> <publish> (S2057)  
true

$$$$

  -ISIS-  11270914432D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.3500   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -6.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <product.code> (S2088)  
S2088

> <IUPAC.name> (S2088)  
tert-butyl ethylcarbamate

> <CAS.no> (S2088)  
38267-76-4

> <categories> (S2088)  
MI

> <publish> (S2088)  
true

$$$$

  -ISIS-  11270914432D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.3125   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3125   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -1.5167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.5292   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4750   -3.6167    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  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
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  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <product.code> (S2089)  
S2089

> <IUPAC.name> (S2089)  
tert-butyl 2-cyclopentylidenehydrazinecarboxylate

> <CAS.no> (S2089)  
79201-39-1

> <categories> (S2089)  
MI

> <publish> (S2089)  
true

$$$$
