
  -ISIS-  11270914432D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.8292    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    0.9875    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.7875    0.0000 O   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  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
> <product.code> (S0651)  
S0651

> <IUPAC.name> (S0651)  
2-thienylboronic acid

> <CAS.no> (S0651)  
6165-68-0

> <categories> (S0651)  
HC; BA

> <other.names> (S0651)  
2-thiopheneboronic acid


> <publish> (S0651)  
true

$$$$

  -ISIS-  07201111452D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.8292    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.9875    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.7875    0.0000 O   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  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  6  4  1  0  0  0  0
M  END
> <product.code> (S0652)  
S0652

> <IUPAC.name> (S0652)  
3-thienylboronic acid

> <CAS.no> (S0652)  
6165-69-1

> <categories> (S0652)  
HC; BA

> <publish> (S0652)  
true

$$$$

  -ISIS-  11270914432D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4875    1.4458    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.3750    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  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
> <product.code> (S0653)  
S0653

> <IUPAC.name> (S0653)  
4-methoxyphenylboronic acid

> <CAS.no> (S0653)  
5720-07-0

> <categories> (S0653)  
BA

> <other.names> (S0653)  
boronic acid, (4-methoxyphenyl)-


> <publish> (S0653)  
true

$$$$

  -ISIS-  11270914432D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.2417    1.0583    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    1.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.0458    0.0000 Cl  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  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
> <product.code> (S0654)  
S0654

> <IUPAC.name> (S0654)  
4-chlorophenylboronic acid

> <CAS.no> (S0654)  
1679-18-1

> <categories> (S0654)  
HA; BA

> <other.names> (S0654)  
boronic acid, (4-chlorophenyl)-


> <publish> (S0654)  
true

$$$$

  -ISIS-  11270914432D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.2625    0.1083    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.5500    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  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
> <product.code> (S1672)  
S1672

> <IUPAC.name> (S1672)  
4-methylphenylboronic acid

> <CAS.no> (S1672)  
5720-05-8

> <categories> (S1672)  
BA

> <publish> (S1672)  
true

$$$$

  -ISIS-  11270914432D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.9125   -0.7792    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.4417    0.0000 F   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  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
  8  7  2  0  0  0  0
M  END
> <product.code> (S1701)  
S1701

> <IUPAC.name> (S1701)  
4-fluorophenylboronic acid

> <CAS.no> (S1701)  
1765-93-1

> <categories> (S1701)  
FL; BA

> <publish> (S1701)  
true

$$$$

  -ISIS-  11270914432D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.8542   -4.2917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4167   -1.8167    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -4.6667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -5.1417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -3.9792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12 13  2  0  0  0  0
 13 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
> <product.code> (S1739)  
S1739

> <IUPAC.name> (S1739)  
3-(trifluoromethyl)phenylboronic acid

> <CAS.no> (S1739)  
1423-26-3

> <categories> (S1739)  
FL; BA

> <publish> (S1739)  
true

$$$$

  -ISIS-  11270914432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.3667   -1.3917    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -5.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -5.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  2  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
> <product.code> (S1748)  
S1748

> <IUPAC.name> (S1748)  
4-(dihydroxyboryl)benzoic acid

> <CAS.no> (S1748)  
14047-29-1

> <categories> (S1748)  
AC; BA

> <publish> (S1748)  
true

$$$$

  -ISIS-  11270914432D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.9792    0.2083    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -2.2667    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  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  4  2  0  0  0  0
M  END
> <product.code> (S1751)  
S1751

> <IUPAC.name> (S1751)  
3-chlorophenylboronic acid

> <CAS.no> (S1751)  
63503-60-6

> <categories> (S1751)  
HA; BA

> <publish> (S1751)  
true

$$$$

  -ISIS-  06091114552D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.3792    0.0583    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042    0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917    1.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4625    0.8458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1542   -1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -1.8750    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8167   -1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3458   -3.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0583   -2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -4.3458    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  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12 18  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  2  0  0  0  0
 19 21  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
 19 12  2  0  0  0  0
M  END
> <product.code> (S3939)  
S3939

> <IUPAC.name> (S3939)  
3-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}pyridine

> <CAS.no> (S3939)  
864754-21-2

> <categories> (S3939)  
HC; BA

> <publish> (S3939)  
true

$$$$

  -ISIS-  06091114552D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.4000   -3.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2583   -1.8042    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458   -2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5958   -3.1583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -4.3167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -2.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
  8  4  2  0  0  0  0
M  END
> <product.code> (S4033)  
S4033

> <IUPAC.name> (S4033)  
4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID

> <CAS.no> (S4033)  
128796-39-4

> <categories> (S4033)  
FL; BA

> <publish> (S4033)  
true

$$$$

