
  -ISIS-  11270914432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.6042   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0292   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -6.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -4.9292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -7.0000    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  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <product.code> (S1946)  
S1946

> <IUPAC.name> (S1946)  
2-amino-2-(2-bromophenyl)acetic acid

> <CAS.no> (S1946)  
254762-66-8

> <categories> (S1946)  
AC; AM; HA; PG

> <publish> (S1946)  
true

$$$$

  -ISIS-  11270914432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.6042   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0292   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -6.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -4.9292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -7.0000    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  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <product.code> (S1947)  
S1947

> <IUPAC.name> (S1947)  
2-amino-2-(2-fluorophenyl)acetic acid

> <CAS.no> (S1947)  
84145-28-8

> <categories> (S1947)  
AC; AM; FL; PG

> <publish> (S1947)  
true

$$$$

  -ISIS-  11270914432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.6042   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0292   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -6.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -4.9292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -7.0000    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  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <product.code> (S1948)  
S1948

> <IUPAC.name> (S1948)  
2-amino-2-(2-chlorophenyl)acetic acid

> <CAS.no> (S1948)  
88744-36-9

> <categories> (S1948)  
AC; AM; PG

> <publish> (S1948)  
true

$$$$

  -ISIS-  11270914432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.3167   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6042   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -6.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -7.0000    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  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <product.code> (S1949)  
S1949

> <IUPAC.name> (S1949)  
2-amino-2-(2-methylphenyl)acetic acid

> <CAS.no> (S1949)  
129592-98-9

> <categories> (S1949)  
AC; AM; PG

> <publish> (S1949)  
true

$$$$

  -ISIS-  11270914432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.0292   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8875   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -6.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -5.7625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -7.0000    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  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
  7 12  2  0  0  0  0
M  END
> <product.code> (S1950)  
S1950

> <IUPAC.name> (S1950)  
2-amino-2-(3-fluorophenyl)acetic acid

> <CAS.no> (S1950)  
7292-74-2

> <categories> (S1950)  
AC; AM; FL; PG

> <publish> (S1950)  
true

$$$$

  -ISIS-  11270914432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.3875   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2417   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -6.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -5.7625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -7.0000    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  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
  7 12  2  0  0  0  0
M  END
> <product.code> (S1951)  
S1951

> <IUPAC.name> (S1951)  
2-amino-2-(3-chlorophenyl)acetic acid

> <CAS.no> (S1951)  
7292-71-9

> <categories> (S1951)  
AC; AM; PG

> <publish> (S1951)  
true

$$$$

  -ISIS-  11270914432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.4917   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -3.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3500   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -4.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -3.0750    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  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <product.code> (S1952)  
S1952

> <IUPAC.name> (S1952)  
2-amino-2-(3-methylphenyl)acetic acid

> <CAS.no> (S1952)  
187979-43-7

> <categories> (S1952)  
AC; AM; PG

> <publish> (S1952)  
true

$$$$

  -ISIS-  11270914432D

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.5125   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3667   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -6.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -5.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -6.1750    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  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
  8 12  2  0  0  0  0
M  END
> <product.code> (S1953)  
S1953

> <IUPAC.name> (S1953)  
2-amino-2-(3-methoxyphenyl)acetic acid

> <CAS.no> (S1953)  
7314-43-4

> <categories> (S1953)  
AC; AM; PG

> <publish> (S1953)  
true

$$$$

  -ISIS-  11270914432D

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.5125   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0792   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -6.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -7.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -7.0000    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  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 11  9  2  0  0  0  0
M  END
> <product.code> (S1954)  
S1954

> <IUPAC.name> (S1954)  
2-amino-2-(4-methoxyphenyl)acetic acid

> <CAS.no> (S1954)  
19789-59-4

> <categories> (S1954)  
AC; AM; PG

> <publish> (S1954)  
true

$$$$

  -ISIS-  11270914432D

 15 16  0  0  0  0  0  0  0  0999 V2000
    5.6042   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8917   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -6.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -7.0000    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  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
  8  5  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <product.code> (S2051)  
S2051

> <IUPAC.name> (S2051)  
2-amino-2-(2-naphthyl)acetic acid

> <CAS.no> (S2051)  
33741-78-5

> <categories> (S2051)  
AC; AM; PG

> <publish> (S2051)  
true

$$$$
