C7H11N3
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
M  END
> <Title>
ZINC00001585

> <SMILES>
CC(C)Nc1ncccn1

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 S   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.7000   -1.2124    0.0000 C   0  0  0
    8.4000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    9.8000   -2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  8 10  2
  8 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00002105

> <SMILES>
c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N

$$$$
C14H11O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  5  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  2
 14 16  1
M  CHG  1  16  -1
M  END
> <Title>
ZINC00002318

> <SMILES>
c1ccc(cc1)c2ccc(cc2)CC(=O)[O-]

$$$$
C8H10N2OS
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 S   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 10 12  1
M  END
> <Title>
ZINC00005473

> <SMILES>
COc1ccc(cc1)NC(=S)N

$$$$
C15H17NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 17 18  1
M  END
> <Title>
ZINC00005608

> <SMILES>
CC(=O)NCCc1cccc2c1cc(cc2)OC

$$$$
C14H19NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00012163

> <SMILES>
c1ccc(cc1)CCCC(=O)N2CCOCC2

$$$$
C10H13N2O
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 C   0  0  0
    6.7406   -1.6834    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  2
 11  6  1
 10 11  1
 10 12  1
 12 13  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00012384

> <SMILES>
COc1ccc2c(c1)cc([nH]2)C[NH3+]

$$$$
C11H17N2O
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 N   0  3  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00012687

> <SMILES>
COc1ccccc1N2CC[NH2+]CC2

$$$$
C7H11N3OS2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 S   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  8 10  1
 10 11  1
 11 12  2
 11 13  1
M  END
> <Title>
ZINC00017834

> <SMILES>
CC(C)Sc1nnc(s1)NC(=O)C

$$$$
C12H16N3S
  MOLSOFT 11061513452D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 N   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    7.5668    1.4000    0.0000 C   0  0  0
    8.7792    0.7000    0.0000 C   0  0  0
    8.7792   -0.7000    0.0000 C   0  0  0
    7.5668   -1.4000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 16  8  1
 15 16  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00022035

> <SMILES>
C[NH+]1CCN(CC1)c2nc3ccccc3s2

$$$$
C8H14N3S
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 N   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  9 10  1
 10 11  2
 12  8  1
 11 12  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00022036

> <SMILES>
C[NH+]1CCN(CC1)c2nccs2

$$$$
C11H14FNO
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
M  END
> <Title>
ZINC00023883

> <SMILES>
CC(C)(C)NC(=O)c1ccc(cc1)F

$$$$
C11H17NO2S
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.9000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
   -1.4000   -1.4000    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  2
  6  9  1
  9 10  2
 10 11  1
 11 12  2
 14  9  1
 13 14  2
 12 13  1
 12 15  1
M  END
> <Title>
ZINC00028303

> <SMILES>
CCN(CC)S(=O)(=O)c1ccc(cc1)C

$$$$
C9H12N2O3
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 N   0  0  0
   -0.0000   -7.2746    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
M  END
> <Title>
ZINC00028415

> <SMILES>
COc1ccccc1OCC(=O)NN

$$$$
C11H17NO2S
  MOLSOFT 11061513452D

 15 15  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  2
   -2.1000    1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 S   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    0.0000 O   0  0  0
    5.6000    2.4249    0.0000 C   0  0  0
  1  2  1
  3  2  1
  3  4  1  6
  3  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 12 14  2
 12 15  1
M  END
> <Title>
ZINC00029515

> <SMILES>
CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C

$$$$
C11H11N5O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 N   0  0  0
    8.4544    0.5124    0.0000 N   0  0  0
    7.1229    0.0798    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 18 14  1
 17 18  2
M  END
> <Title>
ZINC00030082

> <SMILES>
CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2

$$$$
C11H20N2O2
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  1
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
  2  1  1  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  2  7  1
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00030267

> <SMILES>
C[C@H]1CCCCN1C(=O)N2CCOCC2

$$$$
C14H20N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 O   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00030382

> <SMILES>
CC(C)c1ccc(cc1)NC(=O)N2CCOCC2

$$$$
C15H22N2O
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  1
   -1.4000   -2.4249    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
  1  2  1
  3  2  1
  3  4  1  6
  3  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 12  7  1
 11 12  1
 10 11  1
 10 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00030417

> <SMILES>
CC[C@@H](C)C(=O)N1CCN(CC1)c2ccccc2

$$$$
C12H10ClN3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    6.0622    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00030531

> <SMILES>
c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl

$$$$
C14H15NOS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.2229    3.5575    0.0000 C   0  0  0
   10.5544    3.1249    0.0000 C   0  0  0
   10.5544    1.7249    0.0000 C   0  0  0
    9.2229    1.2922    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 13  1
 16 17  1
M  END
> <Title>
ZINC00030723

> <SMILES>
Cc1ccc(cc1)CNC(=O)Cc2cccs2

$$$$
C14H21NO
  MOLSOFT 11061513452D

 16 16  0  0  1  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  2
   -4.2000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  3  1
  4  5  1  6
  4  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
 10 11  1
 10 16  1
M  END
> <Title>
ZINC00030738

> <SMILES>
CCC[C@H](C)C(=O)Nc1c(cccc1C)C

$$$$
C13H18N2O2
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
 14 15  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC00030858

> <SMILES>
CC(C)CC(=O)Nc1ccc(cc1)NC(=O)C

$$$$
C13H14N2O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 O   0  0  0
    7.1229    0.0798    0.0000 N   0  0  0
    9.5870    2.7353    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 17 13  2
 16 17  1
 15 16  1
 15 18  1
M  END
> <Title>
ZINC00031636

> <SMILES>
CCOc1ccc(cc1)C(=O)Nc2cc(on2)C

$$$$
C12H11N5O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    6.7326    0.1190    0.0000 N   0  0  0
    5.6000    0.9419    0.0000 C   0  0  0
    4.4674    0.1190    0.0000 N   0  0  0
    7.0000   -2.4249    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 13 14  1
 15 11  1
 14 15  2
 12 13  1
 12 16  1
 16 17  2
 18 10  2
 17 18  1
M  END
> <Title>
ZINC00031969

> <SMILES>
COc1cccc(c1)Nc2c3c([nH]cn3)ncn2

$$$$
C12H11N5O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    3.9632    4.6777    0.0000 N   0  0  0
    2.6843    4.1083    0.0000 C   0  0  0
    2.8306    2.7159    0.0000 N   0  0  0
    6.3000    3.6373    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  2
 13 14  1
 15 11  1
 14 15  2
 12 13  1
 12 16  1
 16 17  2
 18 10  2
 17 18  1
M  END
> <Title>
ZINC00032156

> <SMILES>
COc1ccc(cc1)Nc2c3c([nH]cn3)ncn2

$$$$
C13H16N2O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 O   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  8 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00032414

> <SMILES>
CC(=O)c1cccc(c1)NC(=O)N2CCOCC2

$$$$
C13H12N4
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.3306    2.4914    0.0000 N   0  0  0
    5.3710    3.4282    0.0000 C   0  0  0
    5.3710    4.8282    0.0000 C   0  0  0
    6.5834    5.5282    0.0000 C   0  0  0
    7.7958    4.8282    0.0000 C   0  0  0
    7.7958    3.4282    0.0000 C   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  4  5  1
  4  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 17  9  2
 16 17  1
M  END
> <Title>
ZINC00033917

> <SMILES>
c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2

$$$$
C7H14N3
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 N   0  3  0
    5.6986   -1.7764    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  7  3  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00034155

> <SMILES>
CCn1ccc(n1)C[NH2+]C

$$$$
C7H14N3
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  3  0
   -1.4118    4.0867    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  7  3  1
  6  7  2
  4  5  2
  4  8  1
  8  9  1
  9 10  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00034156

> <SMILES>
CCn1c(ccn1)C[NH2+]C

$$$$
C12H10NO5
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
    1.9388   -3.9949    0.0000 O   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 C   0  0  0
   -2.3291   -1.5308    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 O   0  0  0
    2.1000    6.0622    0.0000 O   0  5  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 12  7  1
 11 12  1
 12 13  2
  3  4  2
  3 14  1
 14 15  1
 15 16  1
 16 17  2
 16 18  1
M  CHG  1  18  -1
M  END
> <Title>
ZINC00034208

> <SMILES>
c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-]

$$$$
C12H15F2N2O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 F   0  0  0
    7.0000    4.8497    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 14 16  1
 13 14  2
 13 17  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00034471

> <SMILES>
C[NH+]1CCN(CC1)C(=O)c2ccc(c(c2)F)F

$$$$
C13H15F2NO
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 F   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    4.1114    2.3692    0.0000 C   0  0  0
    4.5240    3.7070    0.0000 C   0  0  0
    5.8272    4.2184    0.0000 C   0  0  0
    7.0397    3.5184    0.0000 C   0  0  0
    7.2483    2.1341    0.0000 C   0  0  0
    6.2961    1.1078    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  1
  2  3  2
  6  1  2
  5  6  1
  5  7  1
  4  5  2
  4  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 10  1
 15 16  1
  3  4  1
  3 17  1
M  END
> <Title>
ZINC00035195

> <SMILES>
c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F

$$$$
C14H17NO3
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
    2.0961   -3.5327    0.0000 C   0  0  0
    3.0483   -4.5590    0.0000 C   0  0  0
    2.8397   -5.9433    0.0000 C   0  0  0
    1.6272   -6.6433    0.0000 C   0  0  0
    0.3240   -6.1318    0.0000 C   0  0  0
   -0.0886   -4.7940    0.0000 C   0  0  0
    4.1694    0.2911    0.0000 O   0  0  0
    4.3157    1.6834    0.0000 C   0  0  0
    3.0368    2.2528    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15  9  1
 14 15  1
  4  5  1
  4 16  1
 16 17  1
 18  3  1
 17 18  1
M  END
> <Title>
ZINC00035394

> <SMILES>
c1cc2c(cc1C(=O)N3CCCCCC3)OCO2

$$$$
C10H8F3NO2
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.1124   -2.9373    0.0000 F   0  0  0
    3.6876   -4.3373    0.0000 F   0  0  0
    5.6000   -4.8497    0.0000 F   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  8 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 13 15  1
 13 16  1
M  END
> <Title>
ZINC00035855

> <SMILES>
CC(=O)c1cccc(c1)NC(=O)C(F)(F)F

$$$$
C14H14N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00036068

> <SMILES>
COC(=O)Nc1ccc(cc1)Cc2ccncc2

$$$$
C12H11N3O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  END
> <Title>
ZINC00037406

> <SMILES>
c1ccc(cc1)NC(=O)Nc2cccnc2

$$$$
C8H7NO2
  MOLSOFT 11061513452D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    5.7917   -1.4000    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
 10  2  1
  9 10  1
  7  8  2
  7 11  1
M  END
> <Title>
ZINC00039661

> <SMILES>
Cc1nc2ccc(cc2o1)O

$$$$
C8H11N5O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    2.5326    2.5439    0.0000 N   0  0  0
    1.4000    3.3668    0.0000 C   0  0  0
    0.2674    2.5439    0.0000 N   0  0  0
    1.4000    4.7668    0.0000 N   0  0  0
    2.6124    5.4668    0.0000 C   0  0  0
    0.1876    5.4668    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  5  7  1
  8  2  1
  7  8  1
  8  9  2
  4  5  1
  4 10  1
 10 11  1
 12  3  1
 11 12  2
 11 13  1
 13 14  1
 13 15  1
M  END
> <Title>
ZINC00039724

> <SMILES>
Cn1c2c(c(=O)[nH]c1=O)[nH]c(n2)N(C)C

$$$$
C10H12N2O3
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 13 15  1
M  END
> <Title>
ZINC00040120

> <SMILES>
COc1ccc(cc1)C(=O)NCC(=O)N

$$$$
C11H11N3O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  5  6  1
  5 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
M  END
> <Title>
ZINC00040343

> <SMILES>
COc1cc(nc(n1)N)c2ccccc2

$$$$
C12H12N4O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
  1  2  1
  2  3  1
  6  2  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
  3  4  2
  3 16  1
 16 17  2
 16 18  1
M  END
> <Title>
ZINC00040636

> <SMILES>
Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N

$$$$
C12H14NOS
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  3  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    3.6879    9.3075    0.0000 O   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00040682

> <SMILES>
c1cc(sc1)C[NH2+]Cc2ccc(cc2)O

$$$$
C14H14N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    6.0622    0.0000 C   0  0  0
   10.5000    6.0622    0.0000 C   0  0  0
   11.2000    4.8497    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00041395

> <SMILES>
c1ccc(cc1)CONC(=O)Nc2ccccc2

$$$$
C13H18NO3
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    4.1694    0.2911    0.0000 O   0  0  0
    4.3157    1.6834    0.0000 C   0  0  0
    3.0368    2.2528    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
  4  5  1
  4 15  1
 15 16  1
 17  3  1
 16 17  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00042082

> <SMILES>
c1cc2c(cc1C[NH+]3CCC(CC3)O)OCO2

$$$$
C13H23N2O
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  2
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 C   0  0  0
    0.7000    8.4871    0.0000 O   0  0  0
   -1.4000    7.2746    0.0000 N   0  0  0
  1  2  1
  3  2  1
  4  5  1
  6  1  1
  5  6  2
  3  4  1
  3  7  1  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  2
 14 16  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00042133

> <SMILES>
C1C[C@H](CC=C1)C[NH+]2CCC(CC2)C(=O)N

$$$$
C14H22NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 16 11  1
 15 16  1
 14 15  1
 14 17  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00042939

> <SMILES>
CCOc1ccc(cc1)C[NH+]2CCC(CC2)O

$$$$
C12H22N2O2
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  1
    9.2229    3.5575    0.0000 C   0  0  0
   10.5544    3.1249    0.0000 C   0  0  0
   10.5544    1.7249    0.0000 C   0  0  0
    9.2229    1.2922    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 12 11  1  1
 12 13  1
 13 14  1
 14 15  1
 12 16  1
 15 16  1
M  END
> <Title>
ZINC00046867

> <SMILES>
C1CCC(CC1)NC(=O)NC[C@H]2CCCO2

$$$$
C9H11NO2
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
M  END
> <Title>
ZINC00047226

> <SMILES>
COCC(=O)Nc1ccccc1

$$$$
C10H11NO3
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  2
 11 13  1
 13 14  1
M  END
> <Title>
ZINC00049688

> <SMILES>
CC(=O)Oc1ccc(cc1)C(=O)NC

$$$$
C12H16ClN2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 N   0  3  0
    0.7077    6.2085    0.0000 C   0  0  0
    0.4166    7.5779    0.0000 C   0  0  0
    1.6290    8.2779    0.0000 C   0  0  0
    2.6694    7.3411    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 12  1
 15 16  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00050238

> <SMILES>
c1cc(cc(c1)Cl)NC(=O)C[NH+]2CCCC2

$$$$
C13H16N2O3
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  2
    5.0229    1.1326    0.0000 C   0  0  0
    4.5903    2.4641    0.0000 O   0  0  0
    6.3544    0.7000    0.0000 N   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    7.4870   -1.5229    0.0000 O   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
 12  9  1  6
 12 13  1
 13 14  2
 13 15  1
 15 16  1
 16 17  2
 12 18  1
 16 18  1
M  END
> <Title>
ZINC00050930

> <SMILES>
CC(C)COc1ccc(cc1)[C@@H]2C(=O)NC(=O)N2

$$$$
C15H20N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -3.8249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -5.6000   -1.0249    0.0000 C   0  0  0
   -7.0000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  1
 14 10  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 18 13  1
 17 18  2
M  END
> <Title>
ZINC00051337

> <SMILES>
CC(C)(C)C(=O)NCCc1c[nH]c2c1cccc2

$$$$
C12H12N2O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 N   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    9.1000    3.6373    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  1
 13 14  2
 13 15  1
 16 10  1
 15 16  1
 16 17  2
M  END
> <Title>
ZINC00051670

> <SMILES>
c1ccc(cc1)COCc2c[nH]c(=O)[nH]c2=O

$$$$
C10H13NO4S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 S   0  0  0
   -3.5000   -2.6124    0.0000 O   0  0  0
   -3.5000    0.1876    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 O   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  2
  3  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
 12 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00054604

> <SMILES>
CCS(=O)(=O)NCc1ccc2c(c1)OCO2

$$$$
C14H14FNO
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 F   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
  4  5  1
  4 16  1
 16 17  1
M  END
> <Title>
ZINC00054712

> <SMILES>
c1ccc(c(c1)CNc2ccc(cc2)F)CO

$$$$
C9H9N3O3
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 N   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 O   0  0  0
    6.6849    3.9916    0.0000 N   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 O   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 14  8  1
 13 14  1
 14 15  2
M  END
> <Title>
ZINC00055841

> <SMILES>
c1cc(oc1)CNc2c[nH]c(=O)[nH]c2=O

$$$$
C8H11N3O3
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 O   0  0  0
    0.0000    4.8497    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
  1  2  2
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  8  1  1
  6  8  1
  2  3  1
  2  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  END
> <Title>
ZINC00055860

> <SMILES>
c1c(c(=O)[nH]c(=O)[nH]1)N2CCOCC2

$$$$
C12H9O5
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 O   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    4.9000    3.6373    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  1
  8  9  1
  9 10  2
  9 11  1
 12  6  2
 11 12  1
 13  3  2
 12 13  1
  7  8  2
  7 14  1
 14 15  1
 15 16  2
 15 17  1
M  CHG  1  17  -1
M  END
> <Title>
ZINC00056577

> <SMILES>
COc1ccc2c(cc(=O)oc2c1)CC(=O)[O-]

$$$$
C13H19N2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  3  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 C   0  0  0
    1.2811   -4.8082    0.0000 O   0  0  0
    2.3216   -5.7450    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  1
 10  6  1
  9 10  2
 10 11  1
 11 12  2
 14  9  1
 13 14  2
 12 13  1
 12 15  1
 15 16  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00057152

> <SMILES>
C[NH+](C)CCc1c[nH]c2c1cc(cc2)OC

$$$$
C12H17N2O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 C   0  0  0
    1.2811   -4.8082    0.0000 O   0  0  0
    2.3216   -5.7450    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  9  5  1
  8  9  2
  9 10  1
 10 11  2
 13  8  1
 12 13  2
 11 12  1
 11 14  1
 14 15  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00057161

> <SMILES>
C[NH+](C)Cc1c[nH]c2c1cc(cc2)OC

$$$$
C11H11N3OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 S   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870   -1.5229    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  2
 12 13  1
 13 14  1
 15 11  1
 14 15  2
 14 16  1
M  END
> <Title>
ZINC00058195

> <SMILES>
CC(=O)Nc1ccc(cc1)c2csc(n2)N

$$$$
C13H21N2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  9  4  1
  8  9  1
  7  8  1
  7 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  CHG  1   4   1
M  END
> <Title>
ZINC00058265

> <SMILES>
CC(C)[NH+]1CCN(CC1)c2ccc(cc2)O

$$$$
C13H18N2O2
  MOLSOFT 11061513452D

 17 17  0  0  1  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  2
   -4.2000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  3  2  1
  3  4  1  6
  3  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
 14 15  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC00060674

> <SMILES>
CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)C

$$$$
C11H12N2O2
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.8000    2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  3
M  END
> <Title>
ZINC00060967

> <SMILES>
COc1ccc(cc1)CNC(=O)CC#N

$$$$
C14H18FNO
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
  3  4  2
  3 17  1
M  END
> <Title>
ZINC00064677

> <SMILES>
c1cc(ccc1CC(=O)NC2CCCCC2)F

$$$$
C9H8N2O2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  3
  4  5  1
  4 13  1
M  END
> <Title>
ZINC00064809

> <SMILES>
c1ccc(c(c1)NC(=O)CC#N)O

$$$$
C7H16NO
  MOLSOFT 11061513452D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -1.4000    1.4000    0.0000 C   0  0  0
   -2.8000   -0.0000    0.0000 C   0  0  0
    0.0000   -0.0000    0.0000 N   0  3  0
    0.9899    0.9899    0.0000 C   0  0  0
    1.9799    0.0000    0.0000 C   0  0  0
    0.9899   -0.9899    0.0000 C   0  0  0
    3.3799    0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  1
  8  5  1
  7  8  1
  7  9  1
M  CHG  1   5   1
M  END
> <Title>
ZINC00065001

> <SMILES>
CC(C)(C)[NH+]1CC(C1)O

$$$$
C12H10ClN3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 Cl  0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.0423    3.7956    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  6  7  2
  8  4  1
  7  8  1
  7  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
  5  6  1
  5 16  1
 16 17  3
M  END
> <Title>
ZINC00065818

> <SMILES>
CN(C)c1c(nc(o1)c2ccc(cc2)Cl)C#N

$$$$
C13H13N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 N   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00067722

> <SMILES>
COc1ccc(cc1)NC(=O)Nc2ccncc2

$$$$
C10H20N2O2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  END
> <Title>
ZINC00068080

> <SMILES>
CC(C)CCNC(=O)N1CCOCC1

$$$$
C12H15F3N2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    1.2124   -3.1249    0.0000 F   0  0  0
   -1.2124   -1.7249    0.0000 F   0  0  0
   -0.7000   -3.6373    0.0000 F   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  7  9  1
  7 10  1
  4  5  2
  4 11  1
  3  4  1
  3 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00068231

> <SMILES>
c1cc(c(cc1C(F)(F)F)N)N2CCCCC2

$$$$
C14H12FNO2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    6.2694    6.3533    0.0000 O   0  0  0
    6.4157    7.7456    0.0000 C   0  0  0
    5.1368    8.3150    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00068281

> <SMILES>
c1cc(cc(c1)F)NCc2ccc3c(c2)OCO3

$$$$
C7H10N2OS
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
 10  6  1
  9 10  1
  8  9  2
  8 11  1
M  END
> <Title>
ZINC00069044

> <SMILES>
CCC(=O)Nc1nc(cs1)C

$$$$
C7H8FN3S
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 S   0  0  0
    0.7000   -6.0622    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
  3  4  2
  3 12  1
M  END
> <Title>
ZINC00069512

> <SMILES>
c1cc(ccc1NNC(=S)N)F

$$$$
C9H13N3S
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 S   0  0  0
    0.7000   -6.0622    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 11 13  1
M  END
> <Title>
ZINC00069531

> <SMILES>
CCc1ccccc1NNC(=S)N

$$$$
C8H5F3N4S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7077    3.7836    0.0000 N   0  0  0
    0.4166    5.1531    0.0000 N   0  0  0
    1.6290    5.8531    0.0000 C   0  0  0
    2.6694    4.9163    0.0000 S   0  0  0
    1.7754    7.2454    0.0000 C   0  0  0
    0.3830    7.3917    0.0000 F   0  0  0
    3.1677    7.0990    0.0000 F   0  0  0
    1.9217    8.6377    0.0000 F   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  3  4  1
  3  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  8  1
 11 12  1
 11 13  1
 13 14  1
 13 15  1
 13 16  1
M  END
> <Title>
ZINC00074321

> <SMILES>
c1cc(cnc1)Nc2nnc(s2)C(F)(F)F

$$$$
C14H16NO
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  1
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  9  6  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
  9 10  1
  9 16  1  1
M  CHG  1  16   1
M  END
> <Title>
ZINC00074809

> <SMILES>
COc1ccc(cc1)[C@@H](c2ccccc2)[NH3+]

$$$$
C10H16NO
  MOLSOFT 11061513452D

 12 12  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  2
   -1.4000    0.0000    0.0000 C   0  0  2
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  3  0
   -4.2000   -2.4249    0.0000 C   0  0  0
  2  1  1  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  3  4  1
  3 10  1  1
  2  3  1
  2 11  1
 11 12  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00074840

> <SMILES>
C[C@H]([C@H](c1ccccc1)O)[NH2+]C

$$$$
C12H13N3O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 O   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
  4  5  2
  4 13  1
 13 14  1
 14 15  2
 14 16  1
 16 17  1
M  END
> <Title>
ZINC00075632

> <SMILES>
Cc1cc(nn1c2ccccc2)NC(=O)OC

$$$$
C14H13NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000   -0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC00076220

> <SMILES>
c1ccc(cc1)COc2ccc(cc2)C(=O)N

$$$$
C12H13FN2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 C   0  0  0
    1.2811   -4.8082    0.0000 F   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  1
 11  7  1
 10 11  2
 11 12  1
 12 13  2
 15 10  1
 14 15  2
 13 14  1
 13 16  1
M  END
> <Title>
ZINC00077351

> <SMILES>
CC(=O)NCCc1c[nH]c2c1cc(cc2)F

$$$$
C9H10F3N3O
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    1.2124   -3.1249    0.0000 F   0  0  0
   -1.2124   -1.7249    0.0000 F   0  0  0
   -0.7000   -3.6373    0.0000 F   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 12 13  1
 13 14  1
 13 15  1
 13 16  1
M  END
> <Title>
ZINC00077366

> <SMILES>
CN(C)C(=O)Nc1cnccc1C(F)(F)F

$$$$
C8H8F3N3O2
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    1.5876    3.1249    0.0000 F   0  0  0
    4.0124    1.7249    0.0000 F   0  0  0
    3.5000    3.6373    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
 10 11  2
 12  7  2
 11 12  1
  9 10  1
  9 13  1
 13 14  1
 13 15  1
 13 16  1
M  END
> <Title>
ZINC00078068

> <SMILES>
COC(=O)NNc1cc(ccn1)C(F)(F)F

$$$$
C12H12N2O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 S   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.5248    7.5992    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00081358

> <SMILES>
Cc1cc(no1)NC(=O)CSc2ccccc2

$$$$
C10H11NO3S
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.9159    1.7148    0.0000 O   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.4522    5.0234    0.0000 C   0  0  0
   -1.1207    5.4561    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  2
  7  8  2
  9  5  1
  8  9  1
  6  7  1
  6 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 15 13  1
 14 15  1
M  END
> <Title>
ZINC00082712

> <SMILES>
COC(=O)c1c(ccs1)NC(=O)C2CC2

$$$$
C11H7FN2S
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 S   0  0  0
   -2.9624   -4.5100    0.0000 C   0  0  0
   -4.2413   -5.0795    0.0000 N   0  0  0
   -0.3246   -6.0329    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  7  1
 10 11  1
 10 12  1
 12 13  3
  9 10  2
  9 14  1
  3  4  1
  3 15  1
M  END
> <Title>
ZINC00082774

> <SMILES>
c1cc(ccc1c2cc(c(s2)C#N)N)F

$$$$
C8H10N2O2
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
M  END
> <Title>
ZINC00084002

> <SMILES>
c1ccc(cc1)CONC(=O)N

$$$$
C15H18N2O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 N   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 C   0  0  0
    4.7318   -2.5020    0.0000 C   0  0  0
    5.7722   -3.4388    0.0000 C   0  0  0
    7.1037   -3.0062    0.0000 C   0  0  0
    7.3948   -1.6368    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  9  4  1
  8  9  1
  7  8  1
  7 10  1
 10 11  2
 11 12  1
 12 13  1
 14 10  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 18 13  1
 17 18  2
M  END
> <Title>
ZINC00084031

> <SMILES>
CC(=O)N1CCC(CC1)c2c[nH]c3c2cccc3

$$$$
C12H13N3O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
  4  5  1
  4 16  1
M  END
> <Title>
ZINC00084757

> <SMILES>
Cc1cc(nc(n1)Nc2cccc(c2)O)C

$$$$
C12H14N2O3
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  1
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 C   0  0  0
    4.5903   -2.4641    0.0000 O   0  0  0
    7.4870    1.5229    0.0000 C   0  0  0
    8.7660    0.9535    0.0000 O   0  0  0
    7.3407    2.9152    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  6  7  1
  6  9  1
  9 10  1
 11 10  1
 13  9  1
 12 13  1
 13 14  2
 11 12  1
 11 15  1  6
 15 16  2
 15 17  1
M  END
> <Title>
ZINC00088691

> <SMILES>
COc1ccc(cc1)N2C[C@@H](CC2=O)C(=O)N

$$$$
C9H8FN3S
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 C   0  0  0
    5.9913    1.0083    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 F   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  2  1
  5  6  1
  5  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
 12 14  1
M  END
> <Title>
ZINC00088862

> <SMILES>
Cc1nnc(s1)Nc2cccc(c2)F

$$$$
C12H15N2O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  3  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 15  6  1
 14 15  1
 15 16  2
M  CHG  1   2   1
M  END
> <Title>
ZINC00090757

> <SMILES>
C[NH+](C)CCN1C(=O)c2ccccc2C1=O

$$$$
C14H13NO2
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -2.0195    1.8184    0.0000 C   0  0  0
   -3.2320    2.5184    0.0000 C   0  0  0
   -2.9409    3.8878    0.0000 C   0  0  0
   -1.5486    4.0341    0.0000 C   0  0  0
   -0.9791    5.3131    0.0000 C   0  0  0
   -1.8020    6.4457    0.0000 C   0  0  0
   -3.1944    6.2994    0.0000 C   0  0  0
   -3.7638    5.0204    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  2  1
  5  6  1
  3  4  1
  3  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 13  9  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00090853

> <SMILES>
Cc1c(cco1)C(=O)N2CCc3c2cccc3

$$$$
C11H9ClN2O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 O   0  0  0
   -2.9624   -4.5100    0.0000 C   0  0  0
   -4.0950   -3.6871    0.0000 O   0  0  0
   -3.1087   -5.9024    0.0000 N   0  0  0
   -4.3877   -6.4718    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
 12 13  2
 12 14  1
 14 15  1
  3  4  2
  3 16  1
M  END
> <Title>
ZINC00091379

> <SMILES>
c1cc(ccc1c2ccc(o2)C(=O)NN)Cl

$$$$
C9H7ClN2O
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  3
  3  4  2
  3 13  1
M  END
> <Title>
ZINC00091625

> <SMILES>
c1cc(ccc1NC(=O)CC#N)Cl

$$$$
C9H14N2O
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    7.7000    3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  3
M  END
> <Title>
ZINC00091989

> <SMILES>
C1CCC(CC1)NC(=O)CC#N

$$$$
C10H10NO4
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 O   0  5  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  1
 13 14  2
 13 15  1
M  CHG  1  15  -1
M  END
> <Title>
ZINC00093096

> <SMILES>
CC(=O)Nc1ccc(cc1)OCC(=O)[O-]

$$$$
C9H13NO2S
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.4124   -1.7249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 S   0  0  0
   -2.9876   -3.1249    0.0000 O   0  0  0
   -4.9000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  2
  2  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
M  END
> <Title>
ZINC00093607

> <SMILES>
CS(=O)(=O)NCCc1ccccc1

$$$$
C8H9N3S
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.6185   -1.0903    0.0000 C   0  0  0
    5.4414   -2.2229    0.0000 C   0  0  0
    4.6185   -3.3555    0.0000 C   0  0  0
    3.2870   -2.9229    0.0000 S   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
  1  2  1
  2  3  1
  4  5  1
  6  2  1
  5  6  2
  5  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
  3  4  2
  3 12  1
M  END
> <Title>
ZINC00094695

> <SMILES>
Cn1c(cc(n1)c2cccs2)N

$$$$
C13H14N4O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 N   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    4.2000   -7.2746    0.0000 O   0  0  0
    2.1000   -8.4870    0.0000 N   0  0  0
    2.8000   -9.6995    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
 12 14  1
 14 15  1
 15 16  2
 15 17  1
 17 18  1
M  END
> <Title>
ZINC00096471

> <SMILES>
Cc1nccc(n1)c2cccc(c2)NC(=O)NC

$$$$
C13H20N2O2
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    5.7876    3.1249    0.0000 C   0  0  0
    8.2124    1.7249    0.0000 C   0  0  0
    7.7000    3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 14 16  1
 14 17  1
M  END
> <Title>
ZINC00098725

> <SMILES>
CCOc1ccc(cc1)NC(=O)NC(C)(C)C

$$$$
C14H21NO2
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000    1.4000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  1
 13 14  2
 13 15  1
 15 16  1
 15 17  1
M  END
> <Title>
ZINC00101125

> <SMILES>
CC(C)(C)c1ccc(cc1)OCC(=O)N(C)C

$$$$
C16H17NO
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    6.0622    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC00101545

> <SMILES>
Cc1ccc(cc1)CNC(=O)c2ccc(cc2)C

$$$$
C15H12N2O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    4.3306    2.4914    0.0000 C   0  0  0
    5.3710    3.4282    0.0000 N   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 C   0  0  0
    7.3327    0.4220    0.0000 C   0  0  0
    8.6642    0.8546    0.0000 C   0  0  0
    8.9553    2.2240    0.0000 C   0  0  0
    7.9149    3.1608    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 14 10  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 18 13  1
 17 18  2
M  END
> <Title>
ZINC00101547

> <SMILES>
Cc1ccc(cc1)C(=O)n2cnc3c2cccc3

$$$$
C8H7F3N2OS
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 S   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    3.3124    4.3373    0.0000 F   0  0  0
    0.8876    2.9373    0.0000 F   0  0  0
    1.4000    4.8497    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
  3  4  2
  3 11  1
 11 12  1
 12 13  1
 12 14  1
 12 15  1
M  END
> <Title>
ZINC00102761

> <SMILES>
c1cc(ccc1NC(=S)N)OC(F)(F)F

$$$$
C8H7F3N2OS
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 S   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    3.6876    1.9124    0.0000 F   0  0  0
    6.1124    0.5124    0.0000 F   0  0  0
    5.6000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  8 10  1
  4  5  1
  4 11  1
 11 12  1
 12 13  1
 12 14  1
 12 15  1
M  END
> <Title>
ZINC00102765

> <SMILES>
c1ccc(c(c1)NC(=S)N)OC(F)(F)F

$$$$
C14H21N3O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 O   0  0  0
   -0.0000   -7.2746    0.0000 N   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 C   0  0  0
    2.8000   -9.6995    0.0000 C   0  0  0
    2.1000  -10.9119    0.0000 C   0  0  0
    0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000   -9.6995    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00104417

> <SMILES>
c1cnccc1CCNC(=O)NC2CCCCC2

$$$$
C8H9NO4S
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  2
 11 13  2
 11 14  1
M  END
> <Title>
ZINC00106888

> <SMILES>
COC(=O)c1ccc(cc1)S(=O)(=O)N

$$$$
C12H13N3O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 11 13  1
 13 14  2
 13 15  1
 17 10  1
 16 17  2
 15 16  1
 15 18  1
M  END
> <Title>
ZINC00106897

> <SMILES>
CCOC(=O)Nc1ccc2c(c1)c(=O)n(cn2)C

$$$$
C9H8N2O
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
M  END
> <Title>
ZINC00107742

> <SMILES>
Cc1nc(no1)c2ccccc2

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 N   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  2
  8  9  2
 10  6  1
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
  7  8  1
  7 17  1
M  END
> <Title>
ZINC00109117

> <SMILES>
CCOC(=O)c1c(nc(s1)c2cnccn2)C

$$$$
C7H11ClN3OS
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  3  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.0923   -3.7836    0.0000 C   0  0  0
    2.3834   -5.1531    0.0000 S   0  0  0
    1.1710   -5.8531    0.0000 N   0  0  0
    0.1306   -4.9163    0.0000 N   0  0  0
    3.0291   -2.7432    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
 10 11  1
 12  8  1
 11 12  2
  9 10  1
  9 13  1
M  CHG  1   6   1
M  END
> <Title>
ZINC00109185

> <SMILES>
C1COCC[NH+]1Cc2c(snn2)Cl

$$$$
C13H18NO2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 N   0  3  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00109796

> <SMILES>
COc1ccc(cc1)C(=O)C2CC[NH2+]CC2

$$$$
C14H12N2O
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.1229   -0.0798    0.0000 C   0  0  0
    8.4544   -0.5124    0.0000 C   0  0  0
    8.4544   -1.9124    0.0000 N   0  0  0
    7.1229   -2.3451    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  1
  7  8  2
  9 10  2
 11  6  2
 10 11  1
 12  3  2
 11 12  1
  8  9  1
  8 13  1
 13 14  1
 14 15  2
 15 16  1
 17 13  2
 16 17  1
M  END
> <Title>
ZINC00110340

> <SMILES>
COc1ccc2cc(ccc2c1)c3cc[nH]n3

$$$$
C11H10F3N3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.1099   -0.3903    0.0000 F   0  0  0
    2.4641   -2.6555    0.0000 F   0  0  0
    4.4196   -2.3458    0.0000 F   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
  1  2  1
  2  3  1
  6  2  1
  5  6  2
  5  7  1
  7  8  1
  7  9  1
  7 10  1
  4  5  1
  4 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
  3  4  2
  3 17  1
M  END
> <Title>
ZINC00110577

> <SMILES>
Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N

$$$$
C13H17FNO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00110644

> <SMILES>
C[NH+]1CCC(CC1)OC(=O)c2cccc(c2)F

$$$$
C11H9N3O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.1923   -2.5712    0.0000 N   0  0  0
    4.4834   -3.9406    0.0000 C   0  0  0
    3.2710   -4.6406    0.0000 C   0  0  0
    2.2306   -3.7038    0.0000 O   0  0  0
    3.1246   -6.0329    0.0000 N   0  0  0
    5.7624   -4.5100    0.0000 C   0  0  0
    7.0413   -5.0795    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  2
 10 11  1
 13  9  1
 12 13  1
 12 14  1
 11 12  2
 11 15  1
 15 16  3
M  END
> <Title>
ZINC00111763

> <SMILES>
COc1cccc(c1)c2nc(c(o2)N)C#N

$$$$
C10H13NO3
  MOLSOFT 11061513452D

 14 14  0  0  1  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  2
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  5  0
    2.1000   -3.6373    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  9  7  1
 10 11  1
 11 12  2
 11 13  1
  9 10  1
  9 14  1  6
M  CHG  2  13  -1  14   1
M  END
> <Title>
ZINC00112489

> <SMILES>
COc1cccc(c1)[C@H](CC(=O)[O-])[NH3+]

$$$$
C13H18N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 N   0  3  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -0.7000   -8.4870    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 14  9  1
 13 14  1
 12 13  1
 12 15  1
 15 16  1
 16 17  3
M  CHG  1  12   1
M  END
> <Title>
ZINC00112775

> <SMILES>
COc1ccccc1N2CC[NH+](CC2)CC#N

$$$$
C12H15ClN3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   0  3  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  1
 15 16  3
M  CHG  1  11   1
M  END
> <Title>
ZINC00112962

> <SMILES>
c1cc(cc(c1)Cl)N2CC[NH+](CC2)CC#N

$$$$
C11H13N3O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9412    2.8967    0.0000 C   0  0  0
   -0.9412    4.2967    0.0000 C   0  0  0
    0.3903    4.7294    0.0000 N   0  0  0
    1.2132    3.5967    0.0000 N   0  0  0
  1  2  1
  2  3  2
  6  2  1
  5  6  1
  5  7  1
  4  5  2
  4  8  1
  8  9  2
  8 10  1
 10 11  1
  3  4  1
  3 12  1
 12 13  1
 13 14  2
 14 15  1
 16 12  2
 15 16  1
M  END
> <Title>
ZINC00113424

> <SMILES>
Cc1c(c(c([nH]1)C)C(=O)OC)c2cc[nH]n2

$$$$
C12H17N5O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -5.6000    2.4249    0.0000 N   0  0  0
   -6.3000    3.6373    0.0000 C   0  0  0
   -6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  1
  5  6  2
  5  7  1
  8  2  1
  7  8  1
  3  4  1
  3  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 16 17  1
 16 18  1
M  END
> <Title>
ZINC00114345

> <SMILES>
Cc1c(nc(=O)[nH]n1)Nc2ccc(cc2)N(C)C

$$$$
C13H18N4O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
    0.0000    4.8497    0.0000 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  1
  5  6  2
  5  7  1
  8  2  1
  7  8  1
  3  4  1
  3  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 16 17  1
 16 18  1
M  END
> <Title>
ZINC00114358

> <SMILES>
Cc1c(nc(=O)[nH]n1)Nc2ccccc2C(C)C

$$$$
C13H18N4O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -5.6000    2.4249    0.0000 C   0  0  0
   -6.3000    3.6373    0.0000 C   0  0  0
   -6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  1
  5  6  2
  5  7  1
  8  2  1
  7  8  1
  3  4  1
  3  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 16 17  1
 16 18  1
M  END
> <Title>
ZINC00114363

> <SMILES>
Cc1c(nc(=O)[nH]n1)Nc2ccc(cc2)C(C)C

$$$$
C10H12N4O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -4.2000    4.8497    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  1
  5  6  2
  5  7  1
  8  2  1
  7  8  1
  3  4  1
  3  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
M  END
> <Title>
ZINC00114402

> <SMILES>
Cc1c(nc(=O)[nH]n1)Nc2cccc(c2)O

$$$$
C10H9O4
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 O   0  5  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  2
 12 14  1
M  CHG  1  14  -1
M  END
> <Title>
ZINC00115002

> <SMILES>
CC(=O)c1ccc(cc1)OCC(=O)[O-]

$$$$
C11H12N4OS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  4  1
  7  8  1
  7  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00115413

> <SMILES>
CCCc1nnc(s1)NC(=O)c2ccccn2

$$$$
C10H17N2O3S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  3  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.3306    2.4914    0.0000 C   0  0  0
    5.3710    3.4282    0.0000 C   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 O   0  0  0
  1  2  1
  2  3  2
  2  4  2
  2  5  1
  5  6  1
  6  7  1
  7  8  1
 10  5  1
  9 10  1
  8  9  1
  8 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00115751

> <SMILES>
CS(=O)(=O)N1CC[NH+](CC1)Cc2ccco2

$$$$
C13H18N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 N   0  3  0
    6.4306    3.7038    0.0000 C   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  4  5  1
  4 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 14  1
 17 18  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00115866

> <SMILES>
c1ccc(c(c1)C(=O)N)NC(=O)C[NH+]2CCCC2

$$$$
C10H9NO2S2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.6185   -1.0903    0.0000 C   0  0  0
    5.4414   -2.2229    0.0000 C   0  0  0
    4.6185   -3.3555    0.0000 C   0  0  0
    3.2870   -2.9229    0.0000 S   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  2
  7  8  2
  9  5  1
  8  9  1
  8 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
  6  7  1
  6 15  1
M  END
> <Title>
ZINC00116168

> <SMILES>
COC(=O)c1c(cc(s1)c2cccs2)N

$$$$
C10H8ClN3
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 N   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 12 13  1
  3  4  2
  3 14  1
M  END
> <Title>
ZINC00117248

> <SMILES>
c1cc(ccc1c2cncnc2N)Cl

$$$$
C10H14F3N3O
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -5.4124   -1.7249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.9876   -3.1249    0.0000 C   0  0  0
   -4.9000   -3.6373    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.1099   -0.3903    0.0000 F   0  0  0
    2.4641   -2.6555    0.0000 F   0  0  0
    4.4196   -2.3458    0.0000 F   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 13  9  1
 12 13  2
 12 14  1
 14 15  1
 14 16  1
 14 17  1
M  END
> <Title>
ZINC00117301

> <SMILES>
CC(C)(C)NC(=O)Cn1ccc(n1)C(F)(F)F

$$$$
C9H6N6
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 N   0  0  0
    7.0000   -2.4249    0.0000 N   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 11 13  1
 10 11  2
 10 14  1
 14 15  3
M  END
> <Title>
ZINC00117896

> <SMILES>
c1cnc(cn1)c2ncc(c(n2)N)C#N

$$$$
C13H10F2N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    2.8000   -9.6995    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
  3  4  2
  3 18  1
M  END
> <Title>
ZINC00118151

> <SMILES>
c1cc(ccc1NC(=O)Nc2ccc(cc2)F)F

$$$$
C14H21N2O2
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  1
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  3  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000   -0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  7  4  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 14  9  1
 13 14  1
 12 13  1
 12 15  1
 15 16  2
 15 17  1
  7  8  1
  7 18  1  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00118354

> <SMILES>
c1ccc(cc1)[C@@H](C[NH+]2CCC(CC2)C(=O)N)O

$$$$
C13H13NO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
M  END
> <Title>
ZINC00119243

> <SMILES>
c1ccc(cc1)COc2cccc(c2)N

$$$$
C11H15N2
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 C   0  0  0
    6.7406   -1.6834    0.0000 C   0  0  0
    7.9531   -2.3834    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  2
 10  5  1
  9 10  1
  9 11  1
 11 12  1
 12 13  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00119433

> <SMILES>
Cc1ccc2c(c1)cc([nH]2)CC[NH3+]

$$$$
C13H11N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 N   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  4  5  1
  4 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00119496

> <SMILES>
c1ccc(c(c1)C(=O)N)NC(=O)c2ccncc2

$$$$
C12H19N2O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 N   0  3  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  7  8  1
  9  4  1
  8  9  2
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00120262

> <SMILES>
CCOc1ccccc1N2CC[NH2+]CC2

$$$$
C13H14N2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  5  6  2
  5 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  END
> <Title>
ZINC00120608

> <SMILES>
COc1cc(ccc1N)Nc2ccccc2

$$$$
C10H20N4O2
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
 11  6  1
 10 11  1
  9 10  1
  9 12  1
 12 13  2
 12 14  1
 14 15  1
 14 16  1
M  END
> <Title>
ZINC00122543

> <SMILES>
CN(C)C(=O)N1CCN(CC1)C(=O)N(C)C

$$$$
C12H9N3O2
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.2870    2.9229    0.0000 N   0  0  0
    4.6185    3.3555    0.0000 C   0  0  0
    5.4414    2.2229    0.0000 O   0  0  0
    4.6185    1.0903    0.0000 N   0  0  0
    5.0511    4.6870    0.0000 C   0  0  0
    4.1143    5.7274    0.0000 C   0  0  0
    4.5469    7.0589    0.0000 C   0  0  0
    5.9164    7.3500    0.0000 C   0  0  0
    6.8531    6.3096    0.0000 C   0  0  0
    6.4205    4.9781    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  1
  8  9  2
 11  7  2
 10 11  1
  9 10  1
  9 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00123457

> <SMILES>
Cc1cc(no1)c2nc(on2)c3ccccc3

$$$$
C11H9NO2S
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
M  END
> <Title>
ZINC00125314

> <SMILES>
COC(=O)c1ccc(s1)c2ccccn2

$$$$
C13H16N2O3
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -1.0404    0.9368    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  1
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
   -1.0404   -0.9368    0.0000 C   0  0  0
   -0.7493   -2.3062    0.0000 C   0  0  0
   -1.7897   -3.2430    0.0000 C   0  0  0
   -1.4987   -4.6124    0.0000 C   0  0  0
   -2.5391   -5.5492    0.0000 C   0  0  0
   -3.8705   -5.1165    0.0000 C   0  0  0
   -4.1616   -3.7471    0.0000 C   0  0  0
   -3.1212   -2.8103    0.0000 C   0  0  0
   -4.9109   -6.0533    0.0000 O   0  0  0
   -4.6199   -7.4227    0.0000 C   0  0  0
  2  1  1  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  2  8  1
  6  8  1
  2  3  1
  2  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 17 18  1
M  END
> <Title>
ZINC00125701

> <SMILES>
C[C@]1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC

$$$$
C12H11N3O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  9 10  1
  4  5  1
  4 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  2
 15 16  1
 16 17  2
 18 14  1
 17 18  1
M  END
> <Title>
ZINC00127508

> <SMILES>
c1ccc(c(c1)C(=O)NN)NC(=O)c2ccco2

$$$$
C13H10NO3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 O   0  5  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 N   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  7  9  1
  3  4  2
  3 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  CHG  1   9  -1
M  END
> <Title>
ZINC00127654

> <SMILES>
c1cc(ccc1C(=O)[O-])Oc2ccc(cc2)N

$$$$
C9H8N2O
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  3
M  END
> <Title>
ZINC00127805

> <SMILES>
CC(=O)Nc1ccc(cc1)C#N

$$$$
C11H12N2OS
  MOLSOFT 11061513452D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 S   0  0  0
    5.5282   -2.3834    0.0000 N   0  0  0
    6.7406   -1.6834    0.0000 C   0  0  0
    7.9531   -2.3834    0.0000 C   0  0  0
    7.9531   -3.7834    0.0000 O   0  0  0
    6.7406   -4.4834    0.0000 C   0  0  0
    5.5282   -3.7834    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  2
  9  4  1
  8  9  1
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00127975

> <SMILES>
c1ccc2c(c1)nc(s2)N3CCOCC3

$$$$
C14H12FNO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
   11.2000    0.0000    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
M  END
> <Title>
ZINC00128333

> <SMILES>
c1ccc(cc1)OCC(=O)Nc2cccc(c2)F

$$$$
C8H10N2O4
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 O   0  0  0
    5.2596    5.9534    0.0000 O   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
M  END
> <Title>
ZINC00128548

> <SMILES>
Cc1cc(no1)C(=O)NCC(=O)OC

$$$$
C15H15NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 N   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
    0.0000   -9.6995    0.0000 C   0  0  0
   -1.4000   -9.6995    0.0000 C   0  0  0
   -2.1000   -8.4870    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00130112

> <SMILES>
Cc1ccccc1OCC(=O)Nc2ccccc2

$$$$
C14H21N2O2
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  1
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  3  0
    7.0000    2.4249    0.0000 C   0  0  2
    6.2114    3.5816    0.0000 C   0  0  0
    6.6240    4.9194    0.0000 C   0  0  0
    7.9272    5.4309    0.0000 C   0  0  0
    9.1397    4.7309    0.0000 C   0  0  0
    9.3483    3.3465    0.0000 N   0  0  0
    8.3961    2.3202    0.0000 C   0  0  0
    8.9076    1.0170    0.0000 O   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  7  4  1
  8  9  1
 10  9  1  6
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 10 16  1
 15 16  1
 16 17  2
  7  8  1
  7 18  1  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00130404

> <SMILES>
c1ccc(cc1)[C@@H](C[NH2+][C@@H]2CCCCNC2=O)O

$$$$
C16H18NO
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.5377    2.5647    0.0000 C   0  0  0
    5.8899    2.9271    0.0000 C   0  0  0
    6.2523    1.5748    0.0000 C   0  0  0
    6.5900    4.1395    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
  7  8  1
  7 14  1
 14 15  1
 15 16  1
 17 14  1
 16 17  1
 16 18  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00133425

> <SMILES>
c1ccc(cc1)C(c2ccccc2)[NH+]3CC(C3)O

$$$$
C15H10O3
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.2674   -2.5439    0.0000 C   0  0  0
   -1.0116   -3.1133    0.0000 C   0  0  0
   -1.1579   -4.5057    0.0000 C   0  0  0
   -0.0253   -5.3286    0.0000 C   0  0  0
    1.2537   -4.7591    0.0000 C   0  0  0
    1.4000   -3.3668    0.0000 C   0  0  0
    2.5326   -2.5439    0.0000 C   0  0  0
    3.8641   -2.9765    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 17  9  1
 16 17  1
 17 18  2
M  END
> <Title>
ZINC00133561

> <SMILES>
COC(=O)c1cccc2c1-c3ccccc3C2=O

$$$$
C14H12N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000   -0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 16 17  2
 16 18  1
M  END
> <Title>
ZINC00134027

> <SMILES>
c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N

$$$$
C13H14N2OS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    5.0229   -1.2922    0.0000 C   0  0  0
    6.3544   -1.7249    0.0000 N   0  0  0
    6.3544   -3.1249    0.0000 C   0  0  0
    5.0229   -3.5575    0.0000 S   0  0  0
    7.4870   -3.9478    0.0000 N   0  0  0
    8.7660   -3.3783    0.0000 C   0  0  0
    8.9123   -1.9860    0.0000 O   0  0  0
    9.8986   -4.2012    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  9  1
 12 13  1
 12 14  1
 14 15  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC00134113

> <SMILES>
Cc1cccc(c1)Cc2cnc(s2)NC(=O)C

$$$$
C15H18NO2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -0.0000    0.0000 N   0  3  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000   -0.0000    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  8  9  1
 10  4  1
 10 11  1
  9 10  2
  9 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00134407

> <SMILES>
c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3

$$$$
C10H12N2O3
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  2
 12 14  1
 14 15  1
M  END
> <Title>
ZINC00134413

> <SMILES>
CNC(=O)Nc1ccc(cc1)C(=O)OC

$$$$
C10H13N3O2
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
M  END
> <Title>
ZINC00134415

> <SMILES>
CNC(=O)c1ccc(cc1)NC(=O)NC

$$$$
C12H10NO2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870   -1.5229    0.0000 C   0  0  0
    7.3407   -2.9152    0.0000 O   0  0  0
    8.7660   -0.9535    0.0000 O   0  5  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  5  6  1
  5  8  1
  8  9  2
  9 10  1
 10 11  2
 12  8  1
 11 12  1
 11 13  1
 13 14  2
 13 15  1
M  CHG  1  15  -1
M  END
> <Title>
ZINC00135487

> <SMILES>
Cc1ccc(cc1)c2ccc([nH]2)C(=O)[O-]

$$$$
C10H14N2O3
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 O   0  0  0
    4.1269    5.1305    0.0000 N   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 O   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00135932

> <SMILES>
c1cc(oc1)CNC(=O)N2CCOCC2

$$$$
C15H20NO2
  MOLSOFT 11061513452D

 18 20  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  2
    6.4765   -0.0453    0.0000 C   0  0  0
    7.8755    0.5551    0.0000 N   0  3  0
    8.1086    2.2845    0.0000 C   0  0  0
    7.7024    3.2942    0.0000 C   0  0  0
    7.6381    1.8022    0.0000 C   0  0  0
    8.8704    1.2494    0.0000 C   0  0  0
    9.1230   -0.0199    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 11 10  1  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 11 16  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00135989

> <SMILES>
Cc1ccc(cc1)C(=O)O[C@@H]2C[NH+]3CCC2CC3

$$$$
C12H10N3O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 O   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    6.5385   -5.3839    0.0000 C   0  0  0
    5.2596   -5.9534    0.0000 O   0  0  0
    7.6712   -6.2068    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  2  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
 16 17  2
 16 18  1
M  CHG  1  18  -1
M  END
> <Title>
ZINC00136098

> <SMILES>
Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)[O-]

$$$$
C9H11N3O2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  2
 11 13  1
 13 14  1
M  END
> <Title>
ZINC00136259

> <SMILES>
CC(=O)Nc1ccc(cc1)C(=O)NN

$$$$
C13H14N2OS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 S   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870   -1.5229    0.0000 N   0  0  0
    8.7660   -0.9535    0.0000 C   0  0  0
    8.9123    0.4389    0.0000 O   0  0  0
    9.8986   -1.7764    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  2
 10 11  1
 11 12  1
 13  9  1
 12 13  2
 12 14  1
 14 15  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC00136929

> <SMILES>
CCc1ccc(cc1)c2csc(n2)NC(=O)C

$$$$
C10H16N2O2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -3.8249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -5.6000   -1.0249    0.0000 C   0  0  0
   -7.0000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
M  END
> <Title>
ZINC00136984

> <SMILES>
CC(C)(C)NC(=O)NCc1ccco1

$$$$
C12H13N3OS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.1229   -2.5047    0.0000 N   0  0  0
    8.4544   -2.9373    0.0000 C   0  0  0
    8.4544   -4.3373    0.0000 C   0  0  0
    7.1229   -4.7699    0.0000 S   0  0  0
    9.5870   -2.1144    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 16 12  1
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00137617

> <SMILES>
Cc1cccc(c1)NC(=O)Nc2nc(cs2)C

$$$$
C12H8N2OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    8.8038    7.0297    0.0000 N   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  3
M  END
> <Title>
ZINC00138189

> <SMILES>
c1cc(sc1)C(=O)Nc2ccc(cc2)C#N

$$$$
C10H9N4O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 O   0  5  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 N   0  0  0
    0.7000    6.0622    0.0000 N   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 N   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  7  9  1
  3  4  2
  3 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  1
 14 15  1
 15 16  2
 17 11  1
 15 17  1
M  CHG  1   9  -1
M  END
> <Title>
ZINC00139185

> <SMILES>
c1cc(ccc1C(=O)[O-])Nc2cn[nH]c(=O)n2

$$$$
C9H10ClFN2O
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
   -0.0000    2.4249    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 12 13  1
  8  9  1
  8 14  1
M  END
> <Title>
ZINC00139331

> <SMILES>
CNC(=O)NCc1c(cccc1Cl)F

$$$$
C13H17N2O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  1
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  2
    0.7000   -1.2124    0.0000 O   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 O   0  5  0
    4.9000    6.0622    0.0000 N   0  0  0
  2  1  1  1
  2  3  1
  3  4  1
  6  5  1
  2  7  1
  6  7  1
  6  8  1  1
  4  5  1
  4  9  1
  9 10  2
 10 11  1
 11 12  2
 14  9  1
 13 14  2
 14 15  1
 15 16  2
 15 17  1
 12 13  1
 12 18  1
M  CHG  1  17  -1
M  END
> <Title>
ZINC00139744

> <SMILES>
C[C@H]1CN(C[C@H](O1)C)c2ccc(cc2C(=O)[O-])N

$$$$
C9H6F2N2O
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
   -1.9159   -1.7148    0.0000 O   0  0  0
   -2.7812   -4.3777    0.0000 F   0  0  0
    1.8312   -5.8764    0.0000 F   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  1  2
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  9 10  2
 11  6  2
 11 12  1
 10 11  1
 10 13  1
  8  9  1
  8 14  1
M  END
> <Title>
ZINC00140092

> <SMILES>
c1cn[nH]c1c2cc(cc(c2O)F)F

$$$$
C11H12ClNOS
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 S   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
  3  4  1
  3 15  1
M  END
> <Title>
ZINC00140258

> <SMILES>
c1cc(ccc1C(=O)N2CCSCC2)Cl

$$$$
C12H25N3O2
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.0725    0.8999    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    1.8569   -2.5912    0.0000 C   0  0  0
    3.4156   -1.6913    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 N   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
   -1.0725   -0.8999    0.0000 C   0  0  0
  1  2  1
  3  4  1
  5  6  1
  7  2  1
  7  8  1
  6  7  1
  6  9  1
  6 10  1
  4  5  1
  4 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
 14 16  1
  2  3  1
  2 17  1
M  END
> <Title>
ZINC00140659

> <SMILES>
CC1(CC(CC(N1O)(C)C)NC(=O)N(C)C)C

$$$$
C13H16NO3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 N   0  3  0
    4.2000   -0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  8  2  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 12 13  1
 13 14  1
 14 15  1
 14 16  1
 11 12  1
 11 17  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00140907

> <SMILES>
Cc1cc(=O)oc2c1ccc(c2C[NH+](C)C)O

$$$$
C9H12N4O
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.9159    1.7148    0.0000 O   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 N   0  0  0
  1  2  1
  2  3  1
  6  2  2
  5  6  1
  5  7  1
  4  5  1
  4  8  1
  3  4  2
  3  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  3
M  END
> <Title>
ZINC00141498

> <SMILES>
Cc1c(c(n(n1)C)C)NC(=O)CC#N

$$$$
C10H19N3O2
  MOLSOFT 11061513452D

 15 15  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  2
    0.6074    1.2614    0.0000 C   0  0  0
    1.9723    1.5729    0.0000 C   0  0  0
    3.0669    0.7000    0.0000 C   0  0  0
    3.0669   -0.7000    0.0000 C   0  0  0
    1.9723   -1.5729    0.0000 N   0  0  0
    0.6074   -1.2614    0.0000 C   0  0  0
   -0.2654   -2.3559    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  8  7  1  6
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
  8 14  1
 13 14  1
 14 15  2
M  END
> <Title>
ZINC00141615

> <SMILES>
CC(C)NC(=O)N[C@@H]1CCCCNC1=O

$$$$
C12H12N2O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 S   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    0.0000 O   0  0  0
    5.6000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    5.6000    4.8497    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    7.7000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    7.7000    6.0622    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  2
  8 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00141883

> <SMILES>
c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N

$$$$
C12H8F2O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
    1.8617   -3.4847    0.0000 F   0  0  0
    6.6849   -3.9916    0.0000 F   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  2
  5  6  1
  6  7  2
  8  4  1
  7  8  1
  7  9  1
  9 10  2
 10 11  1
 11 12  2
 14  9  1
 13 14  2
 14 15  1
 12 13  1
 12 16  1
M  END
> <Title>
ZINC00142116

> <SMILES>
CC(=O)c1ccc(o1)c2ccc(cc2F)F

$$$$
C15H21N2
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  3  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.3306    2.4914    0.0000 C   0  0  0
    5.3710    3.4282    0.0000 N   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 C   0  0  0
    7.3327    0.4220    0.0000 C   0  0  0
    8.6642    0.8546    0.0000 C   0  0  0
    8.9553    2.2240    0.0000 C   0  0  0
    7.9149    3.1608    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 13  9  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
M  CHG  1   5   1
M  END
> <Title>
ZINC00142608

> <SMILES>
CC1CC[NH+](CC1)Cc2c[nH]c3c2cccc3

$$$$
C12H17N3O2
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
 14 15  2
 14 16  1
 16 17  1
M  END
> <Title>
ZINC00142713

> <SMILES>
CC(C)CC(=O)Nc1ccc(cc1)C(=O)NN

$$$$
C9H14NO3S
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  3  0
    1.8617    3.4847    0.0000 C   0  0  0
    1.7154    4.8770    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 S   0  0  0
    3.6309    6.8605    0.0000 O   0  0  0
    1.8409    6.6724    0.0000 O   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  2
 10 13  1
 14  7  1
 13 14  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00143194

> <SMILES>
c1cc(oc1)C[NH+]2CCS(=O)(=O)CC2

$$$$
C14H16N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 N   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 13  8  1
 12 13  2
 11 12  1
 11 14  1
 14 15  2
 15 16  1
 16 17  2
 18 14  1
 17 18  1
M  END
> <Title>
ZINC00143419

> <SMILES>
CC(C)(C)C(=O)Nc1ccc(cc1)c2cnco2

$$$$
C9H11NO4S
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 S   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 12 14  2
 12 15  1
M  END
> <Title>
ZINC00143593

> <SMILES>
COC(=O)c1cccc(c1)NS(=O)(=O)C

$$$$
C13H12ClNO
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -8.4870    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
  3  4  2
  3 16  1
M  END
> <Title>
ZINC00144181

> <SMILES>
c1cc(ccc1COc2ccc(cc2)N)Cl

$$$$
C9H11N3O2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  2
 11 13  1
 13 14  1
M  END
> <Title>
ZINC00144281

> <SMILES>
CC(=O)Nc1ccccc1C(=O)NN

$$$$
C10H9ClN2O
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  3  1
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
M  END
> <Title>
ZINC00144519

> <SMILES>
CCc1nc(no1)c2ccc(cc2)Cl

$$$$
C11H12N2O2S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    5.7917   -1.4000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 15  7  1
 14 15  1
 12 13  2
 12 16  1
M  END
> <Title>
ZINC00145371

> <SMILES>
CCOC(=O)Nc1nc2ccc(cc2s1)C

$$$$
C10H13NO2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
M  END
> <Title>
ZINC00145618

> <SMILES>
CCOC(=O)NCc1ccccc1

$$$$
C12H16N4O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 N   0  0  0
    6.3000    3.6373    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 12 13  1
 13 14  1
 14 15  2
 16 10  1
 14 16  1
 11 12  1
 11 17  1
M  END
> <Title>
ZINC00145760

> <SMILES>
CCc1ccc(cc1)Nc2c(n[nH]c(=O)n2)C

$$$$
C12H18N2O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 O   0  0  0
    4.1269    5.1305    0.0000 N   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.5248    7.5992    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00146727

> <SMILES>
c1cc(oc1)CNC(=O)NC2CCCCC2

$$$$
C13H15N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.4306    3.7038    0.0000 C   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 N   0  0  0
    8.3923    2.5712    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  2
 15 16  1
 16 17  2
 18 14  1
 17 18  1
M  END
> <Title>
ZINC00147728

> <SMILES>
CC(C)c1ccc(cc1)NNC(=O)c2ccno2

$$$$
C14H20N2O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.6377    3.7772    0.0000 C   0  0  0
    7.9900    4.1395    0.0000 C   0  0  0
    8.3523    2.7872    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
 15 16  1
 17 14  1
 16 17  1
M  END
> <Title>
ZINC00147730

> <SMILES>
CC(C)c1ccc(cc1)NNC(=O)C2CCC2

$$$$
C15H16N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00148636

> <SMILES>
CCc1ccccc1NNC(=O)c2ccccc2

$$$$
C12H14N2OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 S   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870   -1.5229    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  2
 12 13  1
 13 14  1
 15 11  1
 14 15  2
 14 16  1
M  END
> <Title>
ZINC00149765

> <SMILES>
CC(C)Oc1ccc(cc1)c2csc(n2)N

$$$$
C8H13N3O2S
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
 12 13  1
 13 14  1
M  END
> <Title>
ZINC00150320

> <SMILES>
CC(C)C(=O)Nc1nnc(s1)COC

$$$$
C10H15N3O2S
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  2
    4.6185   -1.0903    0.0000 C   0  0  0
    5.4414   -2.2229    0.0000 C   0  0  0
    4.6185   -3.3555    0.0000 C   0  0  0
    3.2870   -2.9229    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 12 10  1  6
 12 13  1
 13 14  1
 14 15  1
 12 16  1
 15 16  1
M  END
> <Title>
ZINC00150322

> <SMILES>
CC(C)C(=O)Nc1nnc(s1)[C@@H]2CCCO2

$$$$
C11H7N2O4
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.2923   -3.7836    0.0000 C   0  0  0
    6.5834   -5.1531    0.0000 C   0  0  0
    5.3710   -5.8531    0.0000 N   0  0  0
    4.3306   -4.9163    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 O   0  5  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
  3  4  1
  3 15  1
 15 16  2
 15 17  1
M  CHG  1  17  -1
M  END
> <Title>
ZINC00151365

> <SMILES>
c1cc(cc(c1)NC(=O)c2ccno2)C(=O)[O-]

$$$$
C11H13FN2O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.0523   -6.4245    0.0000 C   0  0  0
    1.6899   -7.7768    0.0000 C   0  0  0
    0.3377   -7.4145    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 14 11  1
 13 14  1
  3  4  2
  3 15  1
M  END
> <Title>
ZINC00151442

> <SMILES>
c1cc(ccc1NNC(=O)C2CCC2)F

$$$$
C11H10FN3O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 N   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 F   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
M  END
> <Title>
ZINC00151474

> <SMILES>
Cc1cc(no1)C(=O)NNc2ccccc2F

$$$$
C10H8FN3O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 O   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.1229   -2.5047    0.0000 C   0  0  0
    8.4544   -2.9373    0.0000 C   0  0  0
    8.4544   -4.3373    0.0000 N   0  0  0
    7.1229   -4.7699    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  2
 12 13  1
 13 14  2
 15 11  1
 14 15  1
  4  5  1
  4 16  1
M  END
> <Title>
ZINC00151485

> <SMILES>
c1ccc(c(c1)NNC(=O)c2ccno2)F

$$$$
C13H11FN2O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
M  END
> <Title>
ZINC00151494

> <SMILES>
c1ccc(cc1)C(=O)NNc2ccccc2F

$$$$
C11H16N2O2S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 S   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  7  1
 11 12  1
  3  4  1
  3 13  1
 13 14  2
 13 15  2
 13 16  1
M  END
> <Title>
ZINC00151759

> <SMILES>
c1cc(ccc1N2CCCCC2)S(=O)(=O)N

$$$$
C11H13FN2O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 O   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
  3  4  1
  3 16  1
M  END
> <Title>
ZINC00152042

> <SMILES>
c1cc(ccc1NC(=O)N2CCOCC2)F

$$$$
C10H20N3O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00152045

> <SMILES>
C[NH+]1CCN(CC1)C(=O)N2CCOCC2

$$$$
C10H18N2O3
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  1
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 O   0  0  0
    4.1269    5.1305    0.0000 N   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 O   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
  1  2  1
  3  2  1
  5  1  1
  4  5  1
  3  4  1
  3  6  1  6
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00152083

> <SMILES>
C1C[C@@H](OC1)CNC(=O)N2CCOCC2

$$$$
C11H23N2O3
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  3  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  1
 15 16  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00152375

> <SMILES>
CC(C)(C)OC(=O)N1CC[NH+](CC1)CCO

$$$$
C12H21N2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 11  6  1
 10 11  2
  9 10  1
  9 12  1
 12 13  1
 12 14  1
M  CHG  1   4   1
M  END
> <Title>
ZINC00152549

> <SMILES>
CC(C)[NH2+]Cc1ccc(cc1)N(C)C

$$$$
C10H14N2O
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  4  5  1
  4  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  8  1
 12 13  1
M  END
> <Title>
ZINC00152601

> <SMILES>
c1ccc(c(c1)N)N2CCOCC2

$$$$
C13H21N2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  3  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  4  5  1
  4  9  1
  9 10  1
 10 11  1
 11 12  1
 14  9  1
 13 14  1
 12 13  1
 12 15  1
 15 16  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00153479

> <SMILES>
c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO

$$$$
C11H14N2O3
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  2
    4.0233    5.1156    0.0000 C   0  0  0
    4.9444    6.1699    0.0000 C   0  0  0
    6.3430    6.1071    0.0000 C   0  0  0
    7.1659    4.9745    0.0000 C   0  0  0
    6.7935    3.6249    0.0000 N   0  0  0
    5.5061    3.0747    0.0000 C   0  0  0
    5.4433    1.6761    0.0000 O   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  9  8  1  6
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
  9 15  1
 14 15  1
 15 16  2
M  END
> <Title>
ZINC00153520

> <SMILES>
c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O

$$$$
C12H11N3O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 O   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  2
 15 16  1
 16 17  2
 18 14  1
 17 18  1
M  END
> <Title>
ZINC00153559

> <SMILES>
CC(=O)Nc1ccc(cn1)NC(=O)c2ccco2

$$$$
C8H7F4NO
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 F   0  0  0
    6.3000   -3.6373    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 F   0  0  0
    4.2000   -1.0249    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  9 10  1
  9 11  1
  8  9  1
  8 12  1
  8 13  1
  3  4  1
  3 14  1
M  END
> <Title>
ZINC00153616

> <SMILES>
c1cc(cc(c1)OC(C(F)F)(F)F)N

$$$$
C10H19N2O
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  3  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.9000    2.6124    0.0000 C   0  0  0
    6.1124    1.9124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  9  4  1
  8  9  1
  7  8  1
  7 10  1
 10 11  1
 11 12  1
 13 11  1
 12 13  1
M  CHG  1  10   1
M  END
> <Title>
ZINC00153943

> <SMILES>
CC(=O)N1CCC(CC1)[NH2+]C2CC2

$$$$
C13H25N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  3  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.9000    2.6124    0.0000 C   0  0  0
    6.1124    1.9124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  1
 15 16  1
 17 15  1
 16 17  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00154091

> <SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)[NH2+]C2CC2

$$$$
C12H14N4
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    8.4000   -2.4249    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
  4  5  1
  4 16  1
M  END
> <Title>
ZINC00154213

> <SMILES>
Cc1cc(nc(n1)Nc2ccc(cc2)N)C

$$$$
C14H10N2O
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -7.2746    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 N   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 16  7  2
 15 16  1
  4  5  1
  4 17  1
M  END
> <Title>
ZINC00154226

> <SMILES>
c1ccc(c(c1)c2ccc3cccnc3n2)O

$$$$
C8H14NO2
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  8 10  1
 10 11  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00155106

> <SMILES>
C[NH+](C)Cc1ccc(o1)CO

$$$$
C11H20N2O
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  END
> <Title>
ZINC00155163

> <SMILES>
C1CCN(CC1)C(=O)N2CCCCC2

$$$$
C13H11N3O2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    8.0543    3.7005    0.0000 C   0  0  0
    8.7543    4.9130    0.0000 C   0  0  0
    7.8175    5.9534    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
 16 17  2
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00155226

> <SMILES>
Cc1cc(no1)C(=O)Nc2ccc3c(c2)cc[nH]3

$$$$
C9H18NO2
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  7  1
 11 12  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00155331

> <SMILES>
CCOC(=O)C[NH+]1CCCCC1

$$$$
C9H10ClNO2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
 11 13  1
M  END
> <Title>
ZINC00156223

> <SMILES>
CCOC(=O)Nc1cccc(c1)Cl

$$$$
C13H16N2O2
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.0000   -8.6746    0.0000 C   0  0  0
   -1.2124   -7.9746    0.0000 C   0  0  0
    4.1694    0.2911    0.0000 C   0  0  0
    4.3157    1.6834    0.0000 C   0  0  0
    3.0368    2.2528    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 14 12  1
 13 14  1
  4  5  1
  4 15  1
 15 16  1
 17  3  1
 16 17  1
M  END
> <Title>
ZINC00157641

> <SMILES>
c1cc2c(cc1NC(=O)NCC3CC3)CCO2

$$$$
C6H6N4
  MOLSOFT 11061513452D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.6185   -1.0903    0.0000 N   0  0  0
    5.4414   -2.2229    0.0000 C   0  0  0
    4.6185   -3.3555    0.0000 C   0  0  0
    3.2870   -2.9229    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  4  6  1
  6  7  1
  7  8  1
  8  9  2
 10  6  2
  9 10  1
M  END
> <Title>
ZINC00157663

> <SMILES>
c1cnc([nH]1)c2[nH]ccn2

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.4306    3.7038    0.0000 C   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 13  1
 16 17  1
M  END
> <Title>
ZINC00157953

> <SMILES>
COc1ccc(cn1)NC(=O)Nc2cccs2

$$$$
C13H15N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 N   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 O   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
  3  4  2
  3 17  1
 17 18  3
M  END
> <Title>
ZINC00158077

> <SMILES>
c1cc(ccc1CNC(=O)N2CCOCC2)C#N

$$$$
C12H18NO2S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 S   0  0  0
    7.6156    4.1161    0.0000 O   0  0  0
    6.0569    5.0160    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 12 14  2
 12 15  1
 16  9  1
 15 16  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00158191

> <SMILES>
Cc1ccc(cc1)C[NH+]2CCS(=O)(=O)CC2

$$$$
C10H8N2S2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.1923   -2.5712    0.0000 C   0  0  0
    4.4834   -3.9406    0.0000 C   0  0  0
    3.2710   -4.6406    0.0000 C   0  0  0
    2.2306   -3.7038    0.0000 S   0  0  0
    3.1246   -6.0329    0.0000 C   0  0  0
    1.8457   -6.6024    0.0000 S   0  0  0
    4.2573   -6.8558    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
 12 13  2
 12 14  1
M  END
> <Title>
ZINC00158469

> <SMILES>
c1ccnc(c1)c2ccc(s2)C(=S)N

$$$$
C11H12NS
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 N   0  3  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00158702

> <SMILES>
c1cc(sc1)c2ccc(cc2)C[NH3+]

$$$$
C12H18NO2
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  3
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  2
    6.3000    1.2124    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  8  7  1
  8  9  1
  9 10  1
 10 11  1
 12 11  1
  8 13  1
 12 13  1
 12 14  1  1
 14 15  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00158723

> <SMILES>
c1ccc(cc1)C[NH+]2CCO[C@H](C2)CO

$$$$
C11H11ClN3
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 N   0  3  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  2
  6  1  2
  5  6  1
  6  7  1
  4  5  2
  4  8  1
  3  4  1
  3  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00158735

> <SMILES>
c1cc(c(cc1Cl)N)Nc2cc[nH+]cc2

$$$$
C10H15N3O
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 12  7  1
 11 12  1
 10 11  1
 10 13  1
 13 14  1
M  END
> <Title>
ZINC00158945

> <SMILES>
c1cnc(nc1)N2CCC(CC2)CO

$$$$
C11H15NO2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 O   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  4  5  1
  4  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  END
> <Title>
ZINC00159007

> <SMILES>
c1ccc(c(c1)CO)N2CCOCC2

$$$$
C12H18NO2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 O   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  8  1
 12 13  1
  3  4  2
  3 14  1
 14 15  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00159078

> <SMILES>
c1cc(ccc1C[NH+]2CCOCC2)CO

$$$$
C12H12N2OS
  MOLSOFT 11061513452D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 S   0  0  0
    2.7457   -3.6222    0.0000 N   0  0  0
    3.7861   -4.5590    0.0000 C   0  0  0
    5.1176   -4.1264    0.0000 O   0  0  0
    3.4950   -5.9284    0.0000 N   0  0  0
    4.5354   -6.8652    0.0000 C   0  0  0
    5.9048   -7.1563    0.0000 C   0  0  0
    4.9681   -8.1967    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  9  4  1
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 16 14  1
 15 16  1
M  END
> <Title>
ZINC00159397

> <SMILES>
c1ccc2c(c1)c(cs2)NC(=O)NC3CC3

$$$$
C5H12NO2S
  MOLSOFT 11061513452D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 S   0  0  0
    3.8725   -0.8999    0.0000 O   0  0  0
    3.8725    0.8999    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  5  7  2
  5  8  1
  9  2  1
  8  9  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00160345

> <SMILES>
C[NH+]1CCS(=O)(=O)CC1

$$$$
C12H18N2O
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -3.8249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -5.6000   -1.0249    0.0000 C   0  0  0
   -7.0000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
M  END
> <Title>
ZINC00161017

> <SMILES>
CC(C)(C)NC(=O)NCc1ccccc1

$$$$
C14H18N2O2
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  1
    7.5124    1.9124    0.0000 C   0  0  0
    7.5124    0.5124    0.0000 C   0  0  0
    7.0336   -0.8031    0.0000 C   0  0  0
    8.8912    0.2693    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 14 12  1  1
 14 15  1
 14 16  1
 15 16  1
 16 17  1
 16 18  1
M  END
> <Title>
ZINC00161223

> <SMILES>
CC(=O)Nc1ccc(cc1)NC(=O)[C@H]2CC2(C)C

$$$$
C7H6N2O2
  MOLSOFT 11061513452D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 O   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  1
  8  3  2
  7  8  1
  7  9  2
  9 10  1
 11  6  2
 10 11  1
M  END
> <Title>
ZINC00161239

> <SMILES>
COc1ccc2c(c1)non2

$$$$
C16H21N2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 N   0  0  0
    6.4306    6.1287    0.0000 C   0  0  0
    7.4710    7.0655    0.0000 C   0  0  0
    8.6834    6.3655    0.0000 C   0  0  0
    8.3923    4.9961    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  1
 15 16  2
 16 17  1
 18 14  1
 17 18  2
M  CHG  1   8   1
M  END
> <Title>
ZINC00161500

> <SMILES>
c1ccc(cc1)C[NH+]2CCC(CC2)n3cccc3

$$$$
C13H17NO3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 16 11  1
 15 16  1
 14 15  1
 14 17  1
M  END
> <Title>
ZINC00161960

> <SMILES>
c1ccc(cc1)COC(=O)N2CCC(CC2)O

$$$$
C9H11F3N
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 F   0  0  0
    4.2000   -1.4000    0.0000 F   0  0  0
    5.6000   -0.0000    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 10 12  1
 10 13  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00161983

> <SMILES>
C[NH2+]Cc1ccc(cc1)C(F)(F)F

$$$$
C8H11ClN
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  8 10  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00161986

> <SMILES>
C[NH2+]Cc1cccc(c1)Cl

$$$$
C7H11N2
  MOLSOFT 11061513452D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00161991

> <SMILES>
C[NH2+]Cc1ccncc1

$$$$
C7H6Cl2N2O
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  8  9  2
 10  5  2
  9 10  1
  9 11  1
  7  8  1
  7 12  1
M  END
> <Title>
ZINC00163081

> <SMILES>
CNC(=O)c1cc(nc(c1)Cl)Cl

$$$$
C12H16N2
  MOLSOFT 11061513452D

 14 14  0  0  1  0  0  0  0  0999 V2000
   -4.5249    1.2124    0.0000 C   0  0  0
   -3.3124    0.5124    0.0000 C   0  0  0
   -3.3124   -0.8876    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  2
   -0.8876    1.9124    0.0000 C   0  0  0
   -2.8000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  2  1
  4  5  1  1
  6  7  3
  4  6  1
  4  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
M  END
> <Title>
ZINC00163431

> <SMILES>
CC(C)[C@](C)(C#N)Nc1ccccc1

$$$$
C11H13N5O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 O   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 O   0  0  0
    6.3000    6.0622    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  8  2  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 16 17  1
  5  6  1
  5 18  1
M  END
> <Title>
ZINC00163667

> <SMILES>
Cc1c(=O)n(c(nn1)Nc2ccc(cc2)OC)N

$$$$
C11H11N3O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 12 13  2
 12 14  1
 15  9  1
 14 15  1
 15 16  2
M  END
> <Title>
ZINC00163917

> <SMILES>
c1ccc(cc1)CNc2c[nH]c(=O)[nH]c2=O

$$$$
C11H11NO
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
    1.8617   -3.4847    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  2  1
  5  6  1
  5  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 12 13  1
M  END
> <Title>
ZINC00163959

> <SMILES>
Cc1ccc(o1)c2ccccc2N

$$$$
C9H11NO3S
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    2.6965   -3.2134    0.0000 O   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
 10  6  2
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 12 14  1
M  END
> <Title>
ZINC00163962

> <SMILES>
CCOC(=O)c1ccsc1NC(=O)C

$$$$
C10H11N3O
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.9159    1.7148    0.0000 C   0  0  0
   -3.2853    2.0059    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  7  2  1
  5  7  1
  3  4  2
  3  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
M  END
> <Title>
ZINC00164499

> <SMILES>
Cn1c(cc(=O)[nH]1)Nc2ccccc2

$$$$
C5H8O2
  MOLSOFT 11061513452D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    1.2124    0.7000    0.0000 C   0  0  0
    1.2124   -0.7000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  7  5  1
  6  7  1
M  END
> <Title>
ZINC00164516

> <SMILES>
COC(=O)C1CC1

$$$$
C7H8O3
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
 10  6  2
  9 10  1
M  END
> <Title>
ZINC00164621

> <SMILES>
CCOC(=O)c1ccoc1

$$$$
C7H11N2
  MOLSOFT 11061513452D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  3  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00164674

> <SMILES>
CN(C)c1cc[nH+]cc1

$$$$
C8H9F3NO
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  3  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    3.6876    1.9124    0.0000 F   0  0  0
    6.1124    0.5124    0.0000 F   0  0  0
    5.6000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  4  5  1
  4  9  1
  9 10  1
 10 11  1
 10 12  1
 10 13  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00165237

> <SMILES>
c1ccc(c(c1)C[NH3+])OC(F)(F)F

$$$$
C7H8F3N3
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 F   0  0  0
    4.2000   -1.4000    0.0000 F   0  0  0
    5.6000   -0.0000    0.0000 F   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
  1  2  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  6  7  1
  6  9  1
  9 10  1
  9 11  1
  9 12  1
  2  3  1
  2 13  1
M  END
> <Title>
ZINC00165261

> <SMILES>
CN(c1ccc(cn1)C(F)(F)F)N

$$$$
C8H12N2O
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  9  4  1
  8  9  1
  7  8  1
  7 10  1
 10 11  3
M  END
> <Title>
ZINC00165539

> <SMILES>
CC(=O)N1CCC(CC1)C#N

$$$$
C10H19N3S
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.5215   -0.6437    0.0000 C   0  0  0
    4.8757   -2.9090    0.0000 C   0  0  0
    6.8312   -2.5993    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  5  6  1
  6  7  2
  8  4  1
  7  8  1
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 11 13  1
 11 14  1
M  END
> <Title>
ZINC00166528

> <SMILES>
CC(C)c1nnc(s1)NCC(C)(C)C

$$$$
C8H8F3N
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    1.2124   -3.1249    0.0000 F   0  0  0
   -1.2124   -1.7249    0.0000 F   0  0  0
   -0.7000   -3.6373    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  9 10  1
  9 11  1
  9 12  1
M  END
> <Title>
ZINC00167051

> <SMILES>
CNc1ccccc1C(F)(F)F

$$$$
C8H4F3O3
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 O   0  5  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    3.6876    1.9124    0.0000 F   0  0  0
    6.1124    0.5124    0.0000 F   0  0  0
    5.6000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  4  5  1
  4 10  1
 10 11  1
 11 12  1
 11 13  1
 11 14  1
M  CHG  1   9  -1
M  END
> <Title>
ZINC00167135

> <SMILES>
c1ccc(c(c1)C(=O)[O-])OC(F)(F)F

$$$$
C9H8F2O2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 F   0  0  0
    6.3000    1.2124    0.0000 F   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 11 13  1
M  END
> <Title>
ZINC00167178

> <SMILES>
CC(=O)c1ccc(cc1)OC(F)F

$$$$
C9H8F2O2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 F   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  2
  7  8  1
  8  9  2
 11  6  1
 10 11  2
 11 12  1
  9 10  1
  9 13  1
M  END
> <Title>
ZINC00167238

> <SMILES>
CCOC(=O)c1ccc(cc1F)F

$$$$
C8H16NO4S
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 S   0  0  0
    3.8725   -0.8999    0.0000 O   0  0  0
    3.8725    0.8999    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  2
 10 13  1
 14  7  1
 13 14  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00167442

> <SMILES>
CCOC(=O)C[NH+]1CCS(=O)(=O)CC1

$$$$
C16H13N3
  MOLSOFT 11061513452D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000    0.0000    0.0000 N   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 N   0  0  0
   11.2000   -2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
M  END
> <Title>
ZINC00167737

> <SMILES>
c1ccc(cc1)c2ccc(cc2)c3ccnc(n3)N

$$$$
C14H13NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00168493

> <SMILES>
COC(=O)c1ccc(cc1)c2ccc(cc2)N

$$$$
C14H12N2O
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.2098    0.6457    0.0000 C   0  0  0
    4.9187    2.0151    0.0000 C   0  0  0
    5.9591    2.9519    0.0000 C   0  0  0
    7.2906    2.5193    0.0000 C   0  0  0
    7.5817    1.1499    0.0000 C   0  0  0
    6.5413    0.2131    0.0000 C   0  0  0
    8.3310    3.4561    0.0000 C   0  0  0
    8.0399    4.8255    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  2
  9  4  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 16 17  1
M  END
> <Title>
ZINC00168836

> <SMILES>
c1ccc2c(c1)ncn2c3ccc(cc3)CO

$$$$
C13H15NO2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  2
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 16  8  1
 15 16  1
M  END
> <Title>
ZINC00168842

> <SMILES>
CC(C)(C)NC(=O)c1cc2ccccc2o1

$$$$
C14H13NO3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC00168899

> <SMILES>
COC(=O)c1ccccc1Oc2ccc(cc2)N

$$$$
C9H8ClN3O
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 N   0  0  0
   -1.3923   -2.5712    0.0000 N   0  0  0
   -0.3246   -6.0329    0.0000 C   0  0  0
    0.9543   -6.6024    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
 11  7  1
 10 11  2
  9 10  1
  9 12  1
 12 13  1
  3  4  2
  3 14  1
M  END
> <Title>
ZINC00168973

> <SMILES>
c1cc(ccc1n2cc(nn2)CO)Cl

$$$$
C11H11N3O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 O   0  0  0
    2.1000   -6.0622    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  2
 16  9  1
 14 16  1
M  END
> <Title>
ZINC00169538

> <SMILES>
Cc1ccccc1Nc2cc(=O)[nH]c(=O)[nH]2

$$$$
C14H11O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000   -0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 O   0  5  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  2
 15 17  1
M  CHG  1  17  -1
M  END
> <Title>
ZINC00169677

> <SMILES>
c1ccc(cc1)COc2ccc(cc2)C(=O)[O-]

$$$$
C10H11N2O
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 O   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870    1.5229    0.0000 C   0  0  0
    7.3407    2.9152    0.0000 N   0  3  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
 11  7  2
 10 11  1
  9 10  1
  9 12  1
 12 13  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00169750

> <SMILES>
c1ccc(cc1)c2cc(on2)C[NH3+]

$$$$
C14H20N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
 11  6  1
 10 11  1
  9 10  1
  9 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC00169809

> <SMILES>
CCOC(=O)C1CCN(CC1)c2ccc(cc2)N

$$$$
C9H9NO2S
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.4859   -1.1326    0.0000 C   0  0  0
    4.3088   -0.0000    0.0000 C   0  0  0
    3.4859    1.1326    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  2
  7  8  1
  8  9  2
 10  6  1
  9 10  1
  9 11  1
 11 12  2
 13  8  1
 12 13  1
M  END
> <Title>
ZINC00169822

> <SMILES>
CCOC(=O)c1cc2c([nH]1)ccs2

$$$$
C13H10N4O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    6.4306    6.1287    0.0000 C   0  0  0
    7.4710    7.0655    0.0000 C   0  0  0
    8.6834    6.3655    0.0000 N   0  0  0
    8.3923    4.9961    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
 14 15  1
 15 16  2
 16 17  1
 18 14  2
 17 18  1
M  END
> <Title>
ZINC00170266

> <SMILES>
c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3

$$$$
C13H9FN2O
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 O   0  0  0
    5.5282   -2.3834    0.0000 C   0  0  0
    6.7406   -1.6834    0.0000 C   0  0  0
    7.9531   -2.3834    0.0000 C   0  0  0
    7.9531   -3.7834    0.0000 C   0  0  0
    6.7406   -4.4834    0.0000 C   0  0  0
    5.5282   -3.7834    0.0000 C   0  0  0
    4.3157   -4.4834    0.0000 F   0  0  0
    9.1655   -1.6834    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  2
  9  4  1
  8  9  1
  8 10  1
 10 11  2
 11 12  1
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 12 13  2
 12 17  1
M  END
> <Title>
ZINC00170375

> <SMILES>
c1ccc2c(c1)nc(o2)c3cc(ccc3F)N

$$$$
C10H16N2O2S
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  2
  2  5  1
  5  6  1
  6  7  1
  7  8  1
 10  5  1
  9 10  1
  8  9  1
  8 11  1
 11 12  1
 12 13  2
 13 14  1
 15 11  1
 14 15  2
M  END
> <Title>
ZINC00170459

> <SMILES>
CS(=O)(=O)N1CCC(CC1)n2cccc2

$$$$
C15H16NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 O   0  5  0
   -0.0000    2.4249    0.0000 C   0  0  0
   -0.7000    3.6373    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -2.8000    4.8497    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -4.9000    3.6373    0.0000 C   0  0  0
   -5.6000    4.8497    0.0000 C   0  0  0
   -4.9000    6.0622    0.0000 C   0  0  0
   -3.5000    6.0622    0.0000 C   0  0  0
  1  2  2
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  7  9  1
  2  3  1
  2 10  1
 10 11  3
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  CHG  1   9  -1
M  END
> <Title>
ZINC00170692

> <SMILES>
c1c(cncc1C(=O)[O-])C#CCC2CCCCC2

$$$$
C17H12N2
  MOLSOFT 11061513452D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    5.6000   -0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 C   0  0  0
    7.7000   -1.2124    0.0000 C   0  0  0
   11.2000   -0.0000    0.0000 C   0  0  0
   12.0229    1.1326    0.0000 C   0  0  0
   13.3544    0.7000    0.0000 C   0  0  0
   13.3544   -0.7000    0.0000 N   0  0  0
   12.0229   -1.1326    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  2
 16 17  1
 17 18  2
 19 15  1
 18 19  1
M  END
> <Title>
ZINC00170709

> <SMILES>
c1ccc(cc1)C#Cc2ccc(cc2)c3ccn[nH]3

$$$$
C9H6F3N3
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.1923   -2.5712    0.0000 C   0  0  0
    4.4834   -3.9406    0.0000 C   0  0  0
    3.2710   -4.6406    0.0000 N   0  0  0
    2.2306   -3.7038    0.0000 N   0  0  0
    5.7624   -4.5100    0.0000 C   0  0  0
    6.3318   -3.2311    0.0000 F   0  0  0
    5.1929   -5.7890    0.0000 F   0  0  0
    7.0413   -5.0795    0.0000 F   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  2
 11  7  2
 10 11  1
  9 10  1
  9 12  1
 12 13  1
 12 14  1
 12 15  1
M  END
> <Title>
ZINC00171023

> <SMILES>
c1ccnc(c1)c2cc([nH]n2)C(F)(F)F

$$$$
C11H12N4O3
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 O   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
    4.1694    0.2911    0.0000 N   0  0  0
    4.3157    1.6834    0.0000 O   0  0  0
    3.0368    2.2528    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
  4  5  1
  4 16  2
 16 17  1
 18  3  2
 17 18  1
M  END
> <Title>
ZINC00171101

> <SMILES>
c1cc2c(cc1NC(=O)N3CCOCC3)non2

$$$$
C11H8N4O3
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    8.0543    3.7005    0.0000 N   0  0  0
    8.7543    4.9130    0.0000 O   0  0  0
    7.8175    5.9534    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  1
 15 10  2
 14 15  1
 14 16  2
 16 17  1
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00171377

> <SMILES>
Cc1cc(no1)NC(=O)c2ccc3c(c2)non3

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    4.1694    0.2911    0.0000 N   0  0  0
    4.3157    1.6834    0.0000 N   0  0  0
    3.0368    2.2528    0.0000 S   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
  4  5  1
  4 15  1
 15 16  2
 17  3  1
 16 17  1
M  END
> <Title>
ZINC00171489

> <SMILES>
c1cc2c(cc1C(=O)N3CCOCC3)nns2

$$$$
C11H13N3OS
  MOLSOFT 11061513452D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.2870    2.9229    0.0000 N   0  0  0
    4.6185    3.3555    0.0000 C   0  0  0
    5.4414    2.2229    0.0000 N   0  0  0
    4.6185    1.0903    0.0000 O   0  0  0
    5.0511    4.6870    0.0000 N   0  0  0
    4.1143    5.7274    0.0000 C   0  0  0
    4.5469    7.0589    0.0000 C   0  0  0
    5.9164    7.3500    0.0000 C   0  0  0
    6.8531    6.3096    0.0000 C   0  0  0
    6.4205    4.9781    0.0000 C   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  7  8  1
 10  6  1
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00171546

> <SMILES>
c1cc(sc1)c2nc(no2)N3CCCCC3

$$$$
C14H15N2O2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 N   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    4.1694    0.2911    0.0000 O   0  0  0
    4.3157    1.6834    0.0000 C   0  0  0
    3.0368    2.2528    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
  4  5  1
  4 16  1
 16 17  1
 18  3  1
 17 18  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00172225

> <SMILES>
c1cc2c(cc1C[NH2+]Cc3ccncc3)OCO2

$$$$
C13H20NO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  3  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 14  9  1
 13 14  1
 12 13  1
 12 15  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00174174

> <SMILES>
c1ccc(cc1)CC[NH+]2CCC(CC2)O

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 S   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 N   0  0  0
    6.7406   -1.6834    0.0000 C   0  0  0
    6.7406   -0.2834    0.0000 O   0  0  0
    7.9531   -2.3834    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  9 11  1
 11 12  1
 13  8  1
 12 13  2
 12 14  1
 14 15  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC00175322

> <SMILES>
CC(=O)Nc1ccc2c(c1)sc(n2)NC(=O)C

$$$$
C12H18NOS
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 N   0  3  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 O   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  CHG  1  10   1
M  END
> <Title>
ZINC00176144

> <SMILES>
c1ccc(cc1)SCC[NH+]2CCOCC2

$$$$
C9H15N3O
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  9 10  1
 11  7  1
 10 11  2
 11 12  1
  8  9  1
  8 13  1
M  END
> <Title>
ZINC00177097

> <SMILES>
CCCC(=O)Nc1c([nH]nc1C)C

$$$$
C16H15NO
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 C   0  0  0
    6.8318   -1.2896    0.0000 C   0  0  0
    7.8722   -2.2264    0.0000 C   0  0  0
    9.2037   -1.7938    0.0000 C   0  0  0
    9.4948   -0.4243    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 14 10  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00178514

> <SMILES>
c1ccc(cc1)CC(=O)N2CCc3c2cccc3

$$$$
C15H17NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  3  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 16 17  1
  5  6  2
  5 18  1
M  CHG  2   7   1  18  -1
M  END
> <Title>
ZINC00178847

> <SMILES>
Cc1ccc(c([nH+]1)CCc2ccc(cc2)OC)[O-]

$$$$
C14H14N2
  MOLSOFT 11061513452D

 16 18  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.4484   -2.5063    0.0000 C   0  0  1
    5.3020   -3.8986    0.0000 C   0  0  0
    4.0231   -4.4681    0.0000 C   0  0  0
    2.8904   -3.6452    0.0000 C   0  0  0
    6.7273   -1.9369    0.0000 C   0  0  0
    8.0063   -1.3674    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  2
 10  5  1
  9 10  1
 11  9  1
 12 13  1
 14  8  1
 13 14  1
 11 12  1
 11 15  1  6
 15 16  3
M  END
> <Title>
ZINC00178921

> <SMILES>
Cc1ccc2c(c1)c3c([nH]2)[C@@H](CCC3)C#N

$$$$
C13H17N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 N   0  0  0
    8.5306    4.9163    0.0000 C   0  0  0
    9.5710    5.8531    0.0000 C   0  0  0
   10.7834    5.1531    0.0000 C   0  0  0
   10.4923    3.7836    0.0000 C   0  0  0
   11.4291    2.7432    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 13  1
 16 17  1
 17 18  2
M  END
> <Title>
ZINC00179057

> <SMILES>
c1ccc(cc1)NC(=O)NCCN2CCCC2=O

$$$$
C11H8ClNO3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    4.9000    3.6373    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10 11  1
 12  7  1
 11 12  2
 12 13  1
 14  5  1
 13 14  1
 14 15  2
  9 10  2
  9 16  1
M  END
> <Title>
ZINC00180536

> <SMILES>
CNC(=O)c1cc2cc(ccc2oc1=O)Cl

$$$$
C15H22N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    6.0622    0.0000 C   0  0  0
   10.5000    6.0622    0.0000 C   0  0  0
   11.2000    4.8497    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00182146

> <SMILES>
c1ccc(cc1)CCNC(=O)NC2CCCCC2

$$$$
C12H15F3NO
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    1.5876    3.1249    0.0000 F   0  0  0
    4.0124    1.7249    0.0000 F   0  0  0
    3.5000    3.6373    0.0000 F   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  8  1
 12 13  1
  3  4  1
  3 14  1
 14 15  1
 14 16  1
 14 17  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00183163

> <SMILES>
c1cc(ccc1C[NH+]2CCOCC2)C(F)(F)F

$$$$
C10H11N3O2S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.6185   -1.0903    0.0000 C   0  0  0
    5.4414   -2.2229    0.0000 C   0  0  0
    4.6185   -3.3555    0.0000 C   0  0  0
    3.2870   -2.9229    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00184262

> <SMILES>
CC(C)C(=O)Nc1nnc(s1)c2ccco2

$$$$
C15H15NO2
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  1
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  7  4  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
  7  8  1
  7 18  1  1
M  END
> <Title>
ZINC00185941

> <SMILES>
c1ccc(cc1)[C@@H](CNC(=O)c2ccccc2)O

$$$$
C13H24NO2
  MOLSOFT 11061513452D

 16 18  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.6229    1.1326    0.0000 O   0  0  0
    4.9544    0.7000    0.0000 C   0  0  0
    4.9544   -0.7000    0.0000 C   0  0  1
    3.6229   -1.1326    0.0000 O   0  0  0
    6.0870   -1.5229    0.0000 C   0  0  0
    7.3660   -0.9535    0.0000 N   0  3  0
    7.6570    0.4159    0.0000 C   0  0  0
    9.0494    0.5623    0.0000 C   0  0  0
    9.6188   -0.7167    0.0000 C   0  0  0
    8.5784   -1.6535    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  9  8  1
 10  4  1
  9 10  1
  9 11  1  6
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 12  1
 15 16  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00186017

> <SMILES>
C1CCC2(CC1)OC[C@@H](O2)C[NH+]3CCCC3

$$$$
C12H11NO2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
  3  4  2
  3 15  1
M  END
> <Title>
ZINC00186362

> <SMILES>
c1cc(ccc1Nc2ccc(cc2)O)O

$$$$
C9H13N3O2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
    0.0000    4.8497    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
  1  2  2
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  8  1  1
  6  8  1
  2  3  1
  2  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  END
> <Title>
ZINC00186834

> <SMILES>
c1c(c(=O)[nH]c(=O)[nH]1)N2CCCCC2

$$$$
C10H15N3O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
  1  2  2
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  8  1  1
  6  8  1
  2  3  1
  2  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00186837

> <SMILES>
c1c(c(=O)[nH]c(=O)[nH]1)NC2CCCCC2

$$$$
C10H10N2O2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 N   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  7  9  1
  6  7  1
  6 10  1
 10 11  1
 11 12  2
 12 13  1
 14 10  2
 13 14  1
M  END
> <Title>
ZINC00187296

> <SMILES>
COc1ccc(c(c1)O)c2cc[nH]n2

$$$$
C11H16NO3
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  3
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  2
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.2923   -3.7836    0.0000 C   0  0  0
    6.5834   -5.1531    0.0000 C   0  0  0
    5.3710   -5.8531    0.0000 C   0  0  0
    4.3306   -4.9163    0.0000 O   0  0  0
  2  1  1
  2  3  1
  3  4  1
  4  5  1
  6  5  1
  2  7  1
  6  7  1
  6  8  1  1
  8  9  1
  9 10  2
  9 11  1
 11 12  2
 12 13  1
 13 14  2
 15 11  1
 14 15  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00187980

> <SMILES>
C[NH+]1CCC[C@H](C1)OC(=O)c2ccco2

$$$$
C11H11NO2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 O   0  0  0
   -2.9624   -4.5100    0.0000 C   0  0  0
   -3.1087   -5.9024    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
 12 13  1
  3  4  2
  3 14  1
M  END
> <Title>
ZINC00188736

> <SMILES>
c1cc(ccc1c2ccc(o2)CO)N

$$$$
C10H14N2O3S
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 12  7  1
 11 12  2
 10 11  1
 10 13  1
 13 14  2
 13 15  2
 13 16  1
M  END
> <Title>
ZINC00188952

> <SMILES>
CC(=O)NCCc1ccc(cc1)S(=O)(=O)N

$$$$
C13H15N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 N   0  0  0
    8.9501    5.6374    0.0000 C   0  0  0
    7.5248    7.5992    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 16 17  1
 16 18  1
M  END
> <Title>
ZINC00189373

> <SMILES>
Cc1cc(no1)NC(=O)c2ccc(cc2)N(C)C

$$$$
C13H17N2
  MOLSOFT 11061513452D

 15 17  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.4484   -2.5063    0.0000 C   0  0  2
    5.3020   -3.8986    0.0000 C   0  0  0
    4.0231   -4.4681    0.0000 C   0  0  0
    2.8904   -3.6452    0.0000 C   0  0  0
    6.7273   -1.9369    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  2
 10  5  1
  9 10  1
 11  9  1
 12 13  1
 14  8  1
 13 14  1
 11 12  1
 11 15  1  1
M  CHG  1  15   1
M  END
> <Title>
ZINC00190426

> <SMILES>
Cc1ccc2c(c1)c3c([nH]2)[C@H](CCC3)[NH3+]

$$$$
C11H8FN3O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 N   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  END
> <Title>
ZINC00190498

> <SMILES>
c1cc(cc(c1)F)NC(=O)c2cnccn2

$$$$
C11H13N2O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 O   0  0  0
    6.3000    3.6373    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 15  8  1
 13 15  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00191034

> <SMILES>
c1ccc(cc1)C[NH+]2CC(=O)NC(=O)C2

$$$$
C14H14N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 N   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
    0.0000   -9.6995    0.0000 C   0  0  0
   -1.4000   -9.6995    0.0000 C   0  0  0
   -2.1000   -8.4870    0.0000 N   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00191601

> <SMILES>
Cc1ccccc1OCC(=O)Nc2cccnc2

$$$$
C7H9N3O
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.4196    2.3458    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  5  7  1
  7  8  1
  7  9  1
  4  5  2
  4 10  1
 10 11  3
M  END
> <Title>
ZINC00192191

> <SMILES>
Cc1nc(c(o1)N(C)C)C#N

$$$$
C11H13N3O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    5.7917    1.4000    0.0000 N   0  0  0
    5.7917    2.8000    0.0000 C   0  0  0
    4.5792    3.5000    0.0000 O   0  0  0
    7.0041    3.5000    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  1
  5  6  2
  7  8  2
  9  4  2
  8  9  1
 10  2  1
  9 10  1
 10 11  1
  6  7  1
  6 12  1
 12 13  1
 13 14  2
 13 15  1
M  END
> <Title>
ZINC00196211

> <SMILES>
Cc1nc2cc(ccc2n1C)NC(=O)C

$$$$
C13H12N2OS
  MOLSOFT 11061513452D

 17 19  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  2
    5.4124    0.7000    0.0000 C   0  0  0
    5.4124   -0.7000    0.0000 C   0  0  1
    6.1124   -1.9124    0.0000 C   0  0  0
    5.4124   -3.1249    0.0000 O   0  0  0
    7.5124   -1.9124    0.0000 N   0  0  0
    8.2124   -3.1249    0.0000 C   0  0  0
    9.6048   -3.2712    0.0000 N   0  0  0
    9.8958   -4.6406    0.0000 C   0  0  0
    8.6834   -5.3406    0.0000 C   0  0  0
    7.6430   -4.4038    0.0000 S   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  7  4  1  6
  7  8  1
  9  7  1
  9  8  1
  9 10  1  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 13  1
 16 17  1
M  END
> <Title>
ZINC00196534

> <SMILES>
c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3

$$$$
C14H17NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.0725    0.8999    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 O   0  0  0
   -1.0725   -0.8999    0.0000 C   0  0  0
  1  2  1
  3  4  1
  5  6  1
  6  7  2
  8  2  1
  6  8  1
  4  5  2
  4  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
  2  3  1
  2 17  1
M  END
> <Title>
ZINC00196621

> <SMILES>
CC1(CC(=CC(=O)C1)Nc2cccc(c2)O)C

$$$$
C11H12N4O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 N   0  0  0
    2.2306    6.1287    0.0000 C   0  0  0
    3.2710    7.0655    0.0000 N   0  0  0
    4.4834    6.3655    0.0000 N   0  0  0
    4.1923    4.9961    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  1
  5  6  1
  5 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 18 14  1
 17 18  2
M  END
> <Title>
ZINC00198524

> <SMILES>
COc1cc(cc(c1)OC)C(=O)Nn2cnnc2

$$$$
C15H13N3
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    8.4000   -0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 C   0  0  0
    8.4000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  7  8  1
  5  6  1
  5  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 18  9  2
 17 18  1
M  END
> <Title>
ZINC00198813

> <SMILES>
Cc1ccc(cc1N)c2cnc3ccccc3n2

$$$$
C12H16F2NO
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
  4  5  1
  4 15  1
  3  4  2
  3 16  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00199366

> <SMILES>
c1cc(c(cc1C[NH+]2CCC(CC2)O)F)F

$$$$
C12H15N3O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 16  8  2
 15 16  1
M  END
> <Title>
ZINC00200671

> <SMILES>
CCCC(=O)NCc1[nH]c2ccccc2n1

$$$$
C11H13N3O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 16  8  2
 15 16  1
M  END
> <Title>
ZINC00200675

> <SMILES>
COCC(=O)NCc1[nH]c2ccccc2n1

$$$$
C10H16NOS
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 N   0  3  0
    2.6965   -3.2134    0.0000 C   0  0  0
    3.6332   -4.2538    0.0000 C   0  0  0
    3.2006   -5.5853    0.0000 C   0  0  0
    1.8312   -5.8764    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
    4.1374   -6.6257    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  1
  5  1  1
  4  5  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 12  7  1
 11 12  1
 10 11  1
 10 13  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00200753

> <SMILES>
c1cscc1C[NH+]2CCC(CC2)O

$$$$
C14H19N3O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -3.8249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -5.6000   -1.0249    0.0000 C   0  0  0
   -7.0000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 18 10  2
 17 18  1
M  END
> <Title>
ZINC00201092

> <SMILES>
CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1

$$$$
C10H8F3N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 C   0  0  0
    6.2282   -1.1710    0.0000 F   0  0  0
    4.8282   -3.5958    0.0000 F   0  0  0
    6.7406   -3.0834    0.0000 F   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  9 11  1
 11 12  2
 13  8  1
 12 13  1
 12 14  1
 14 15  1
 14 16  1
 14 17  1
M  END
> <Title>
ZINC00201204

> <SMILES>
CC(=O)Nc1ccc2c(c1)nc([nH]2)C(F)(F)F

$$$$
C12H16F2NO
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 F   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 O   0  0  0
  1  2  1
  2  3  2
  6  1  2
  5  6  1
  6  7  1
  4  5  2
  4  8  1
  3  4  1
  3  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 15 10  1
 14 15  1
 13 14  1
 13 16  1
M  CHG  1  10   1
M  END
> <Title>
ZINC00202266

> <SMILES>
c1cc(c(cc1F)F)C[NH+]2CCC(CC2)O

$$$$
C11H11N3
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  4  5  1
  4  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
M  END
> <Title>
ZINC00202968

> <SMILES>
c1ccc(c(c1)N)Nc2ccccn2

$$$$
C9H13N3O3S
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 O   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.9159    1.7148    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  1
  6  2  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
  3  4  1
  3 12  1
 12 13  2
 12 14  1
 14 15  1
 14 16  1
M  END
> <Title>
ZINC00204342

> <SMILES>
Cc1c(sc(n1)NC(=O)OC)C(=O)N(C)C

$$$$
C11H13N5O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 O   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000   -0.0000    0.0000 O   0  0  0
    8.4000   -0.0000    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  8  2  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 16 17  1
  5  6  1
  5 18  1
M  END
> <Title>
ZINC00205967

> <SMILES>
Cc1c(=O)n(c(nn1)Nc2ccccc2OC)N

$$$$
C13H20NO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
  3  4  2
  3 15  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00206168

> <SMILES>
c1cc(ccc1C[NH2+]C2CCCCC2)O

$$$$
C14H22NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  5  6  2
  5 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00206171

> <SMILES>
COc1cc(ccc1O)C[NH2+]C2CCCCC2

$$$$
C12H20NO2
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -1.0725    0.8999    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  2
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 N   0  3  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.2306    6.1287    0.0000 C   0  0  0
    3.2710    7.0655    0.0000 C   0  0  0
    4.4834    6.3655    0.0000 C   0  0  0
    4.1923    4.9961    0.0000 O   0  0  0
   -1.0725   -0.8999    0.0000 C   0  0  0
  1  2  1
  4  3  1
  5  6  1
  7  2  1
  6  7  1
  4  5  1
  4  8  1  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
  2  3  1
  2 15  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00206876

> <SMILES>
CC1(C[C@H](CCO1)[NH2+]Cc2ccco2)C

$$$$
C14H22NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.1114    2.3692    0.0000 C   0  0  0
    4.5240    3.7070    0.0000 C   0  0  0
    5.8272    4.2184    0.0000 C   0  0  0
    7.0397    3.5184    0.0000 C   0  0  0
    7.2483    2.1341    0.0000 C   0  0  0
    6.2961    1.1078    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  8  9  1
  6  7  1
  6 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 11  1
 16 17  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00207410

> <SMILES>
COc1ccc(cc1O)C[NH+]2CCCCCC2

$$$$
C13H12N2
  MOLSOFT 11061513452D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.4484   -2.5063    0.0000 C   0  0  0
    5.3020   -3.8986    0.0000 C   0  0  0
    4.0231   -4.4681    0.0000 C   0  0  0
    2.8904   -3.6452    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  2
  9  4  1
  8  9  1
  8 10  1
 10 11  1
 11 12  1
 13  7  1
 12 13  1
  3  4  1
  3 14  1
 14 15  3
M  END
> <Title>
ZINC00208675

> <SMILES>
c1cc(c2c(c1)c3c([nH]2)CCCC3)C#N

$$$$
C13H22NO2
  MOLSOFT 11061513452D

 16 16  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.8000   -4.8497    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  2
   -2.8000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -4.9000   -3.6373    0.0000 O   0  0  0
   -5.6000   -4.8497    0.0000 C   0  0  0
   -4.9000   -6.0622    0.0000 O   0  0  0
   -7.0000   -4.8497    0.0000 C   0  0  0
  1  2  1
  3  2  1  1
  4  5  3
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  7  1
 11 12  1
  3  4  1
  3 13  1
 13 14  1
 14 15  2
 14 16  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00208680

> <SMILES>
CC[C@H](C#CC[NH+]1CCCCC1)OC(=O)C

$$$$
C14H19NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.2174    2.6997    0.0000 C   0  0  0
   -3.4605    1.3210    0.0000 C   0  0  0
   -4.7761    0.8421    0.0000 O   0  0  0
   -2.3880    0.4211    0.0000 N   0  0  0
   -1.0725    0.8999    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.0725   -0.8999    0.0000 C   0  0  0
   -0.8294   -2.2786    0.0000 C   0  0  0
   -1.9018   -3.1785    0.0000 C   0  0  0
   -3.2174   -2.6997    0.0000 C   0  0  0
   -3.4605   -1.3210    0.0000 C   0  0  0
   -2.3880   -0.4211    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  7  8  1
  8  9  1
  9 10  1
 11  6  1
 10 11  1
  6  7  1
  6 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00209570

> <SMILES>
CC(=O)NCC1(CCOCC1)c2ccccc2

$$$$
C14H21N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 N   0  3  0
    7.0000   -2.4249    0.0000 C   0  0  0
    8.4000   -2.4249    0.0000 C   0  0  0
    9.1000   -3.6373    0.0000 O   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  7  8  1
  6  7  1
  6  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00209829

> <SMILES>
Cc1cccc(c1C)NC(=O)C[NH+]2CCOCC2

$$$$
C14H22NO2
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
   -1.0725    0.8999    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  2
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 N   0  3  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
   -1.0725   -0.8999    0.0000 C   0  0  0
  1  2  1
  4  3  1
  5  6  1
  7  2  1
  6  7  1
  4  5  1
  4  8  1  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
  2  3  1
  2 17  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00210034

> <SMILES>
CC1(C[C@H](CCO1)[NH2+]Cc2ccc(cc2)O)C

$$$$
C14H11FN2
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.2098    0.6457    0.0000 C   0  0  0
    4.9187    2.0151    0.0000 C   0  0  0
    3.5873    2.4477    0.0000 C   0  0  0
    3.2962    3.8171    0.0000 C   0  0  0
    4.3366    4.7539    0.0000 C   0  0  0
    5.6681    4.3213    0.0000 C   0  0  0
    5.9591    2.9519    0.0000 C   0  0  0
    4.0455    6.1233    0.0000 F   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  2
  9  4  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00210331

> <SMILES>
c1ccc2c(c1)ncn2Cc3ccc(cc3)F

$$$$
C13H15FN2O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 O   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -5.0874    3.6284    0.0000 C   0  0  0
   -5.5200    4.9599    0.0000 C   0  0  0
   -4.5832    6.0003    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -6.8894    5.2510    0.0000 F   0  0  0
  1  2  1
  2  3  2
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00210537

> <SMILES>
Cc1c(c(n[nH]1)C)CCOc2ccc(cc2)F

$$$$
C9H14N2O3S
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
   -1.4000   -1.4000    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
  1  2  1
  3  4  1
  4  5  1
  2  3  1
  2  6  1
  6  7  2
  6  8  2
  6  9  1
  9 10  2
 10 11  1
 11 12  2
 14  9  1
 13 14  2
 12 13  1
 12 15  1
M  END
> <Title>
ZINC00211528

> <SMILES>
CN(CCO)S(=O)(=O)c1ccc(cc1)N

$$$$
C16H26NO
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  3  3
    4.9000   -1.2124    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  2
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  8  5  1
  8  9  1
  8 10  1
 11 10  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 11 12  1
 11 18  1  6
M  CHG  1   8   1
M  END
> <Title>
ZINC00212155

> <SMILES>
CC1CCC(CC1)[NH+](C)C[C@H](c2ccccc2)O

$$$$
C15H23N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  3  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  9  4  1
  8  9  1
  7  8  1
  7 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  CHG  1  10   1
M  END
> <Title>
ZINC00212327

> <SMILES>
CC(=O)N1CCC(CC1)[NH2+]CCc2ccccc2

$$$$
C15H26NO
  MOLSOFT 11061513452D

 17 19  0  0  1  0  0  0  0  0999 V2000
   -0.9899    0.9899    0.0000 C   0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0
    0.9899   -0.9899    0.0000 C   0  0  1
    2.9533   -1.2124    0.0000 C   0  0  0
    3.6533   -0.0000    0.0000 C   0  0  0
    2.9533    1.2124    0.0000 C   0  0  0
    0.9899    0.9899    0.0000 C   0  0  2
    1.9799    0.0000    0.0000 C   0  0  0
    3.5838    2.4624    0.0000 C   0  0  0
    2.8165    3.6334    0.0000 N   0  3  3
    1.4182    3.7010    0.0000 C   0  0  0
    1.0503    5.0519    0.0000 C   0  0  0
    2.2214    5.8191    0.0000 C   0  0  0
    3.3129    4.9425    0.0000 C   0  0  2
    4.6637    5.3103    0.0000 C   0  0  0
    5.0206    6.6641    0.0000 O   0  0  0
   -0.9899   -0.9899    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  2
  7  2  1
  3  8  1  1
  7  8  1  1
  7  6  1
  6  9  1
 10  9  1
 10 11  1
 11 12  1
 12 13  1
 14 10  1
 14 13  1
 14 15  1  6
 15 16  1
  3  2  1
  2 17  1
M  CHG  1  10   1
M  END
> <Title>
ZINC00212385

> <SMILES>
CC1([C@H]2CC=C([C@@H]1C2)C[NH+]3CCC[C@@H]3CO)C

$$$$
C16H25N2
  MOLSOFT 11061513452D

 18 20  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  1
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  2
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 N   0  3  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 N   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    9.0965   -4.2451    0.0000 C   0  0  0
    8.9501   -5.6374    0.0000 C   0  0  0
    7.6712   -6.2068    0.0000 C   0  0  0
    6.5385   -5.3839    0.0000 C   0  0  0
  2  1  1  1
  2  3  1
  3  4  1
  5  4  1
  2  6  1
  5  6  1
  5  7  1  1
  7  8  1
  8  9  1
  9 10  1
 12  7  1
 11 12  1
 10 11  1
 10 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00212563

> <SMILES>
C[C@H]1CC[C@H](C1)[NH+]2CCN(CC2)c3ccccc3

$$$$
C11H15ClNO
  MOLSOFT 11061513452D

 14 15  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  3
    2.0923   -3.7836    0.0000 C   0  0  0
    2.3834   -5.1531    0.0000 C   0  0  0
    1.1710   -5.8531    0.0000 C   0  0  2
    0.1306   -4.9163    0.0000 C   0  0  0
    1.0246   -7.2454    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  8  7  1
  8  9  1
  9 10  1
 11 10  1
  8 12  1
 11 12  1
 11 13  1  1
  3  4  2
  3 14  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00212917

> <SMILES>
c1cc(ccc1C[NH+]2CC[C@H](C2)O)Cl

$$$$
C11H18NOS
  MOLSOFT 11061513452D

 14 15  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 N   0  3  3
    2.7194   -3.3582    0.0000 C   0  0  0
    3.2888   -4.6371    0.0000 C   0  0  0
    2.2484   -5.5739    0.0000 C   0  0  0
    1.0360   -4.8739    0.0000 C   0  0  2
   -0.2430   -5.4433    0.0000 C   0  0  0
   -0.3893   -6.8357    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  2  2
  5  6  1
  6  7  1
  8  7  1
  8  9  1
  9 10  1
 10 11  1
 12  8  1
 12 11  1
 12 13  1  6
 13 14  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00212939

> <SMILES>
Cc1ccsc1C[NH+]2CCC[C@@H]2CO

$$$$
C15H22NO2
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  2
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  3  3
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 O   0  0  0
    4.2000   -7.2746    0.0000 O   0  0  0
    4.9000   -8.4870    0.0000 C   0  0  0
  2  1  1  6
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  7  2  1
  7  6  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 14  9  1
 13 14  2
 12 13  1
 12 15  1
 15 16  2
 15 17  1
 17 18  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00213127

> <SMILES>
C[C@@H]1CCCC[NH+]1Cc2ccc(cc2)C(=O)OC

$$$$
C14H20NO2
  MOLSOFT 11061513452D

 17 19  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  1
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  2
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 N   0  3  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    6.8312   -5.3839    0.0000 O   0  0  0
    8.2006   -5.6750    0.0000 C   0  0  0
    8.9006   -4.4626    0.0000 O   0  0  0
  2  1  1  1
  2  3  1
  3  4  1
  5  4  1
  2  6  1
  5  6  1
  5  7  1  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
 15 16  1
 17 12  1
 16 17  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00214016

> <SMILES>
C[C@H]1CC[C@H](C1)[NH2+]Cc2ccc3c(c2)OCO3

$$$$
C14H22NO2
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  3
    0.7077    3.7836    0.0000 C   0  0  0
    0.4166    5.1531    0.0000 C   0  0  0
    1.6290    5.8531    0.0000 C   0  0  2
    2.6694    4.9163    0.0000 C   0  0  0
    1.7754    7.2454    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  7  2  1
  6  7  2
  7  8  1
  8  9  1
  5  6  1
  5 10  1
  4  5  2
  4 11  1
 12 11  1
 12 13  1
 13 14  1
 15 14  1
 12 16  1
 15 16  1
 15 17  1  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00214040

> <SMILES>
Cc1cc(c(cc1OC)C)C[NH+]2CC[C@H](C2)O

$$$$
C16H18NO
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 N   0  3  3
    4.2000   -0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -0.0000    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000   -0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  9  8  1
 10  4  1
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00214556

> <SMILES>
c1ccc2c(c1)CC[NH+](C2)Cc3ccccc3O

$$$$
C12H24NO
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  3  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  8  3  1
  7  8  1
  6  7  1
  6  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00214736

> <SMILES>
CCC1CCC(CC1)[NH+]2CCOCC2

$$$$
C13H26NO
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  3  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  1
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  8  3  1
  7  8  1
  6  7  1
  6  9  1
  9 10  1
 11 10  1  1
 11 12  1
 12 13  1
 13 14  1
 11 15  1
 14 15  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00215450

> <SMILES>
CCC1CCC(CC1)[NH2+]C[C@H]2CCCO2

$$$$
C15H23N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  3  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  9  4  1
  8  9  1
  7  8  1
  7 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00216814

> <SMILES>
CC(=O)N1CC[NH+](CC1)CCCc2ccccc2

$$$$
C14H18N3
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  3  3
   -1.9159    1.7148    0.0000 C   0  0  0
   -3.2853    2.0059    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -5.0874    3.6284    0.0000 C   0  0  0
   -5.5200    4.9599    0.0000 C   0  0  0
   -4.5832    6.0003    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  2  1
  5  6  1
  3  4  1
  3  7  1
  8  7  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
  8 17  1
 16 17  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00216852

> <SMILES>
Cc1c(nc[nH]1)C[NH+]2CCc3ccccc3C2

$$$$
C13H17N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  1
  8  9  1
 10  2  1
  9 10  2
  3  4  1
  3 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  1
 15 17  1
M  END
> <Title>
ZINC00217162

> <SMILES>
Cc1c(n2ccccc2n1)C(=O)NCC(C)C

$$$$
C13H18FN2O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 O   0  0  0
    4.2000   -7.2746    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  2
 14 16  1
  3  4  2
  3 17  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00217886

> <SMILES>
c1cc(ccc1C[NH+]2CCC(CC2)C(=O)N)F

$$$$
C14H17FN2O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 N   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -3.5000   -6.0622    0.0000 O   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -0.1876   -7.9746    0.0000 C   0  0  0
   -1.4000   -8.6746    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 12  7  1
 11 12  1
 10 11  1
 10 13  1
 13 14  2
 13 15  1
 15 16  1
 17 15  1
 16 17  1
  3  4  1
  3 18  1
M  END
> <Title>
ZINC00218564

> <SMILES>
c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F

$$$$
C12H22N3
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 N   0  3  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.6376    3.2702    0.0000 C   0  0  0
   -5.0374    3.2493    0.0000 C   0  0  0
   -5.9266    4.3307    0.0000 C   0  0  0
   -5.6355    5.7001    0.0000 C   0  0  0
   -4.3834    6.3263    0.0000 C   0  0  0
   -3.1131    5.7378    0.0000 C   0  0  0
  1  2  2
  3  4  2
  5  1  1
  4  5  1
  2  3  1
  2  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15  9  1
 14 15  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00220119

> <SMILES>
c1c(nc[nH]1)CC[NH2+]C2CCCCCC2

$$$$
C13H26NO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  3  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 14  9  1
 13 14  1
 12 13  1
 12 15  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00221320

> <SMILES>
CC1CCC(CC1)[NH2+]C2CCC(CC2)O

$$$$
C12H17FN3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 N   0  3  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 12  7  1
 11 12  1
 10 11  1
 10 13  1
 13 14  1
 14 15  2
 14 16  1
  3  4  2
  3 17  1
M  CHG  1  10   1
M  END
> <Title>
ZINC00224534

> <SMILES>
c1cc(ccc1N2CC[NH+](CC2)CC(=O)N)F

$$$$
C11H16N3O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    1.8617    3.4847    0.0000 C   0  0  0
    1.7154    4.8770    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 N   0  3  0
    4.1269    5.1305    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    1.4227    7.6617    0.0000 C   0  0  0
    0.2901    6.8388    0.0000 O   0  0  0
    1.2763    9.0540    0.0000 N   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  1
 15 16  2
 15 17  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00224574

> <SMILES>
c1cc(oc1)C(=O)N2CC[NH+](CC2)CC(=O)N

$$$$
C10H11O3
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 11 13  1
M  CHG  1  13  -1
M  END
> <Title>
ZINC00225417

> <SMILES>
CCOc1ccc(cc1)CC(=O)[O-]

$$$$
C12H16N2O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 O   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00227427

> <SMILES>
COc1ccccc1NC(=O)N2CCOCC2

$$$$
C16H23NO
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
 11  6  1
 10 11  1
  9 10  1
  9 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00227879

> <SMILES>
CC(C)C(=O)N1CCC(CC1)Cc2ccccc2

$$$$
C10H13N3O3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    1.8617    3.4847    0.0000 C   0  0  0
    1.7154    4.8770    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 N   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 O   0  0  0
    1.4227    7.6617    0.0000 N   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  2
 14 16  1
M  END
> <Title>
ZINC00234851

> <SMILES>
c1cc(oc1)C(=O)N2CCN(CC2)C(=O)N

$$$$
C13H10N2OS
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 N   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -0.4710   -6.0406    0.0000 C   0  0  0
   -1.6834   -6.7406    0.0000 C   0  0  0
   -2.8958   -6.0406    0.0000 C   0  0  0
   -2.8958   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 S   0  0  0
   -4.1083   -6.7406    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 15  7  1
 14 15  1
 12 13  2
 12 16  1
  3  4  2
  3 17  1
M  END
> <Title>
ZINC00235507

> <SMILES>
c1cc(ccc1c2nc3ccc(cc3s2)N)O

$$$$
C12H18N3O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00236021

> <SMILES>
C[NH+]1CCN(CC1)C(=O)Nc2ccccc2

$$$$
C12H16N3
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
 14 15  3
M  CHG  1   2   1
M  END
> <Title>
ZINC00236863

> <SMILES>
C[NH+]1CCN(CC1)c2ccc(cc2)C#N

$$$$
C11H16NOS
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 S   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00237165

> <SMILES>
c1cc(cc(c1)O)C[NH+]2CCSCC2

$$$$
C14H14O4
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 O   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 O   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  6  8  1
  8  9  1
 10  4  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
 15 16  1
 16 17  2
 16 18  1
M  END
> <Title>
ZINC00237751

> <SMILES>
CCCc1cc(=O)oc2c1ccc(c2)OC(=O)C

$$$$
C10H7O3
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    5.6000   -0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    7.7000   -1.2124    0.0000 O   0  0  0
    7.7000    1.2124    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  3
 10 11  1
 11 12  2
 11 13  1
M  CHG  1  13  -1
M  END
> <Title>
ZINC00237930

> <SMILES>
COc1ccc(cc1)C#CC(=O)[O-]

$$$$
C15H21N2
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    2.7457   -3.6222    0.0000 C   0  0  0
    3.7861   -4.5590    0.0000 N   0  3  0
    5.0815   -4.0281    0.0000 C   0  0  0
    6.3043   -4.7099    0.0000 C   0  0  0
    6.5337   -6.0910    0.0000 C   0  0  0
    5.5969   -7.1314    0.0000 C   0  0  0
    4.1994   -7.0477    0.0000 C   0  0  0
    3.3935   -5.9029    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  9  4  1
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 11  1
 16 17  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00237940

> <SMILES>
c1ccc2c(c1)c(c[nH]2)C[NH+]3CCCCCC3

$$$$
C14H26NO2
  MOLSOFT 11061513452D

 17 19  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.6229    1.1326    0.0000 O   0  0  0
    4.9544    0.7000    0.0000 C   0  0  0
    4.9544   -0.7000    0.0000 C   0  0  1
    3.6229   -1.1326    0.0000 O   0  0  0
    6.0870   -1.5229    0.0000 C   0  0  0
    7.3660   -0.9535    0.0000 N   0  3  0
    7.5123    0.4389    0.0000 C   0  0  0
    8.7913    1.0083    0.0000 C   0  0  0
    9.9239    0.1854    0.0000 C   0  0  0
    9.7776   -1.2069    0.0000 C   0  0  0
    8.4986   -1.7764    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  9  8  1
 10  4  1
  9 10  1
  9 11  1  6
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00238636

> <SMILES>
C1CCC2(CC1)OC[C@@H](O2)C[NH+]3CCCCC3

$$$$
C16H18NO
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 N   0  3  3
    4.2000   -0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -0.0000    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000   -0.0000    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  9  8  1
 10  4  1
  9 10  1
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00238864

> <SMILES>
c1ccc2c(c1)CC[NH+](C2)Cc3ccc(cc3)O

$$$$
C12H17ClNO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
  3  4  2
  3 15  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00239259

> <SMILES>
c1cc(ccc1C[NH+]2CCC(CC2)O)Cl

$$$$
C10H16NOS
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  3  0
    1.8617    3.4847    0.0000 C   0  0  0
    1.7154    4.8770    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 O   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 12  7  1
 11 12  1
 10 11  1
 10 13  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00239359

> <SMILES>
c1cc(sc1)C[NH+]2CCC(CC2)O

$$$$
C15H24NO
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 16 11  1
 15 16  1
 14 15  1
 14 17  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00239622

> <SMILES>
CC(C)c1ccc(cc1)C[NH+]2CCC(CC2)O

$$$$
C14H22N3O
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  1
   -2.1000    1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  3  2  1
  3  4  1  1
  3  5  1
  5  6  1
  6  7  1
  7  8  1
 10  5  1
  9 10  1
  8  9  1
  8 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  CHG  1   5   1
M  END
> <Title>
ZINC00239832

> <SMILES>
CC[C@@H](C)[NH+]1CCN(CC1)C(=O)c2ccncc2

$$$$
C12H19N2OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.3306    2.4914    0.0000 C   0  0  0
    5.3710    3.4282    0.0000 C   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 S   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  9  4  1
  8  9  1
  7  8  1
  7 10  1
 10 11  2
 10 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  CHG  1   4   1
M  END
> <Title>
ZINC00239843

> <SMILES>
CC(C)[NH+]1CCN(CC1)C(=O)c2cccs2

$$$$
C14H22NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  7  8  1
  9  4  1
  8  9  2
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 16 11  1
 15 16  1
 14 15  1
 14 17  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00240923

> <SMILES>
CCOc1ccccc1C[NH+]2CCC(CC2)O

$$$$
C13H20NOS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 S   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00241179

> <SMILES>
CCOc1ccc(cc1)C[NH+]2CCSCC2

$$$$
C15H13O3
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  2
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 O   0  5  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
  2  1  1  6
  3  4  2
  3  5  1
  2  3  1
  2  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  CHG  1   5  -1
M  END
> <Title>
ZINC00241544

> <SMILES>
C[C@H](C(=O)[O-])Oc1ccc(cc1)c2ccccc2

$$$$
C13H10O3S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 S   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  2
 14 15  1
 15 16  2
 17 13  1
 16 17  1
M  END
> <Title>
ZINC00242114

> <SMILES>
CC(=O)c1ccc(cc1)OC(=O)c2cccs2

$$$$
C11H11N2O3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 N   0  3  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 12 13  2
 13 14  1
 15  5  2
 14 15  1
 15 16  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00244318

> <SMILES>
CC(=O)Nc1c(=[NH2+])c2ccccc2oc1O

$$$$
C12H17N3O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
 11  6  1
 10 11  1
  9 10  1
  9 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00244880

> <SMILES>
CCOC(=O)C1CCN(CC1)c2cnccn2

$$$$
C8H7N3S
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.3306    2.4914    0.0000 N   0  0  0
    5.3710    3.4282    0.0000 N   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 S   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  8  1
 11 12  1
M  END
> <Title>
ZINC00245038

> <SMILES>
c1ccc(cc1)Nc2nncs2

$$$$
C14H15N3O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000   -0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 N   0  0  0
   12.6000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  2
 15 17  1
 17 18  1
M  END
> <Title>
ZINC00246085

> <SMILES>
c1ccc(cc1)CNc2ccc(cc2)C(=O)NN

$$$$
C14H17N3O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 N   0  0  0
    6.7406   -1.6834    0.0000 C   0  0  0
    6.7406   -0.2834    0.0000 O   0  0  0
    7.9531   -2.3834    0.0000 C   0  0  0
    9.1655   -1.6834    0.0000 C   0  0  0
   10.3779   -2.3834    0.0000 C   0  0  0
   10.3779   -3.7834    0.0000 C   0  0  0
    9.1655   -4.4834    0.0000 C   0  0  0
    7.9531   -3.7834    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  9  4  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00246853

> <SMILES>
c1ccc2c(c1)[nH]c(n2)NC(=O)C3CCCCC3

$$$$
C9H13N3O3S
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 12  7  1
 11 12  2
 10 11  1
 10 13  1
 13 14  2
 13 15  2
 13 16  1
M  END
> <Title>
ZINC00246884

> <SMILES>
CN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)N

$$$$
C16H18NO
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  3  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00247383

> <SMILES>
C[NH+](C)CC(=O)c1ccc(cc1)c2ccccc2

$$$$
C10H9N3O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 O   0  0  0
    6.3000    3.6373    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 15  8  1
 13 15  1
M  END
> <Title>
ZINC00248341

> <SMILES>
c1ccc(cc1)Nc2cc(=O)[nH]c(=O)[nH]2

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  4  1
  7  8  1
  7  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00249566

> <SMILES>
COCc1nnc(s1)NC(=O)c2ccccc2

$$$$
C6H9N3O2S
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  8 10  1
 10 11  1
 11 12  1
M  END
> <Title>
ZINC00249675

> <SMILES>
CC(=O)Nc1nnc(s1)COC

$$$$
C13H17N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000   -0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 15 10  1
 14 15  1
 13 14  1
 13 16  1
 16 17  2
 16 18  1
M  END
> <Title>
ZINC00249866

> <SMILES>
c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N

$$$$
C15H19NO
  MOLSOFT 11061513452D

 17 19  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.7917    1.2688    0.0000 O   0  0  0
    4.9000   -1.2124    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  2
    6.7464   -2.1865    0.0000 C   0  0  0
    5.5811   -2.6848    0.0000 C   0  0  1
    5.2698   -4.0011    0.0000 C   0  0  0
    4.8429   -2.9049    0.0000 C   0  0  0
    4.9474   -1.6919    0.0000 C   0  0  2
    3.8195   -1.0683    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 11 10  1  6
 11 12  1
 13 12  1
 13 14  1  1
 14 15  1
 16 11  1
 16 15  1  6
 13 17  1
 16 17  1
M  END
> <Title>
ZINC00250141

> <SMILES>
Cc1ccc(cc1)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3

$$$$
C11H11NOS
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 O   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
M  END
> <Title>
ZINC00250523

> <SMILES>
c1cc(sc1)CNc2ccc(cc2)O

$$$$
C14H15N3O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    8.4000   -2.4249    0.0000 C   0  0  0
    9.1000   -3.6373    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
  4  5  1
  4 18  1
M  END
> <Title>
ZINC00253736

> <SMILES>
Cc1cc(nc(c1)NC(=O)Nc2ccccc2)C

$$$$
C14H18N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    8.4000   -2.4249    0.0000 C   0  0  0
    9.1000   -3.6373    0.0000 O   0  0  0
    9.1000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 15 10  1
 14 15  1
 13 14  1
 13 16  1
 16 17  2
 16 18  1
M  END
> <Title>
ZINC00255976

> <SMILES>
Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N

$$$$
C9H12N2O2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
M  END
> <Title>
ZINC00257205

> <SMILES>
CCOC(=O)NNc1ccccc1

$$$$
C9H14N4O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.9159    1.7148    0.0000 O   0  0  0
   -1.4118    4.0867    0.0000 N   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -2.2770    6.7496    0.0000 C   0  0  0
   -0.9076    6.4585    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  5  1
  6  2  2
  5  6  1
  3  4  2
  3  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00257926

> <SMILES>
Cc1c(non1)NC(=O)N2CCCCC2

$$$$
C8H7N3OS
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 S   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  1
 10  5  2
  9 10  1
  9 11  2
 11 12  1
 13  8  2
 12 13  1
M  END
> <Title>
ZINC00258308

> <SMILES>
CC(=O)Nc1ccc2c(c1)nsn2

$$$$
C8H6N2O2S
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 S   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  1
 10  5  2
  9 10  1
  9 11  2
 11 12  1
 13  8  2
 12 13  1
M  END
> <Title>
ZINC00258314

> <SMILES>
CC(=O)Oc1ccc2c(c1)nsn2

$$$$
C13H20NO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 11  1
 14 15  1
M  CHG  1  10   1
M  END
> <Title>
ZINC00263262

> <SMILES>
COc1ccc(cc1)C[NH2+]C2CCCC2

$$$$
C14H17N2O
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 N   0  3  0
   -0.1229    2.5047    0.0000 C   0  0  0
   -1.4544    2.9373    0.0000 C   0  0  0
   -1.4544    4.3373    0.0000 C   0  0  0
   -0.1229    4.7699    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  6  7  2
  8  3  1
  8  9  2
 10  1  2
  9 10  1
  7  8  1
  7 11  1
  4  5  2
  4 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 13  1
 16 17  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00265206

> <SMILES>
c1cc2c(ccc(c2nc1)O)C[NH+]3CCCC3

$$$$
C8H15NO2
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  3  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
M  CHG  2   4   1  11  -1
M  END
> <Title>
ZINC00265638

> <SMILES>
C1CC[NH+](CC1)CCC(=O)[O-]

$$$$
C14H15N3O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 N   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00265863

> <SMILES>
CN(C)c1ccc(cc1)C(=O)Nc2ccncc2

$$$$
C13H13NO3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  2
  7  8  1
 10  6  1
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00266303

> <SMILES>
CCOC(=O)c1cc(no1)c2ccc(cc2)C

$$$$
C12H10FNO3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  2
  7  8  1
 10  6  1
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00266304

> <SMILES>
CCOC(=O)c1cc(no1)c2ccc(cc2)F

$$$$
C13H17NO2
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  2
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    7.4870    1.5229    0.0000 O   0  0  0
    6.3544   -0.7000    0.0000 N   0  0  0
    5.0229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
 11  8  1  6
 11 12  1
 12 13  1
 13 14  2
 13 15  1
 11 16  1
 15 16  1
M  END
> <Title>
ZINC00266573

> <SMILES>
CC(C)Oc1ccc(cc1)[C@@H]2CC(=O)NC2

$$$$
C14H13NO3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  6  7  1
  6  9  1
  9 10  2
  9 11  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 11 12  1
 11 18  1
M  END
> <Title>
ZINC00267946

> <SMILES>
COc1ccc(cc1)C(=O)N(c2ccccc2)O

$$$$
C12H13FNO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    0.7077    6.2085    0.0000 C   0  0  0
    0.4166    7.5779    0.0000 C   0  0  0
    1.6290    8.2779    0.0000 C   0  0  0
    2.6694    7.3411    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 11  1
 14 15  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00268556

> <SMILES>
c1cc(cc(c1)F)C[NH2+]Cc2ccco2

$$$$
C11H15NO2S
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.8000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 S   0  0  0
   -1.4000   -1.4000    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  1
    0.3903   -2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  2
  3  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 12 13  1
 14  6  1
 14 13  1
 14 15  1  1
M  END
> <Title>
ZINC00268629

> <SMILES>
CCS(=O)(=O)N1c2ccccc2C[C@H]1C

$$$$
C14H10N2O2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 N   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 O   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870    1.5229    0.0000 C   0  0  0
    7.3407    2.9152    0.0000 C   0  0  0
    8.4733    3.7381    0.0000 C   0  0  0
    9.7522    3.1687    0.0000 C   0  0  0
    9.8986    1.7764    0.0000 C   0  0  0
    8.7660    0.9535    0.0000 C   0  0  0
    8.9123   -0.4389    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
 11  7  2
 10 11  1
  9 10  1
  9 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
M  END
> <Title>
ZINC00271638

> <SMILES>
c1ccc(cc1)c2nc(on2)c3ccccc3O

$$$$
C9H14ClN5O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 O   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  7  8  2
  9  4  2
  8  9  1
  8 10  1
  6  7  1
  6 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00272218

> <SMILES>
CCNc1nc(nc(n1)Cl)N2CCOCC2

$$$$
C13H17N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    2.6965   -3.2134    0.0000 O   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
    1.8312   -5.8764    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
 10 11  1
 12  4  1
 11 12  2
 12 13  1
 13 14  1
 14 15  2
 14 16  1
 16 17  1
M  END
> <Title>
ZINC00274846

> <SMILES>
CCCn1c2ccccc2nc1NC(=O)CC

$$$$
C14H19NO
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  2
   -4.2000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  2
    1.2124    0.7000    0.0000 C   0  0  0
    1.2124   -0.7000    0.0000 C   0  0  1
    1.9124   -1.9124    0.0000 C   0  0  0
    3.3124   -1.9124    0.0000 C   0  0  0
    4.0124   -3.1249    0.0000 C   0  0  0
    3.3124   -4.3373    0.0000 C   0  0  0
    1.9124   -4.3373    0.0000 C   0  0  0
    1.2124   -3.1249    0.0000 C   0  0  0
  1  2  1
  3  2  1
  3  4  1  6
  3  5  1
  5  6  1
  6  7  2
  8  6  1  6
  8  9  1
 10  8  1
 10  9  1
 10 11  1  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  END
> <Title>
ZINC00276329

> <SMILES>
CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c2ccccc2

$$$$
C13H20NO3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  8  9  1
  9 10  1
  6  7  1
  6 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00277754

> <SMILES>
COc1ccc(cc1OC)C[NH+]2CCOCC2

$$$$
C11H15ClNO
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 O   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00277870

> <SMILES>
c1cc(cc(c1)Cl)C[NH+]2CCOCC2

$$$$
C14H18NO
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 N   0  3  3
    4.7123    0.4389    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 C   0  0  0
    8.4029    0.7548    0.0000 C   0  0  0
    9.5355   -0.0681    0.0000 C   0  0  0
    9.3891   -1.4604    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  2  1
  5  6  1
  5  7  1
  8  7  1
  8  9  1
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00278104

> <SMILES>
Cc1ccc(o1)C[NH+](C)Cc2ccccc2

$$$$
C11H16NO2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  3  0
    4.9000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 O   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  8  1
 12 13  1
  4  5  1
  4 14  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00278193

> <SMILES>
c1ccc(c(c1)C[NH+]2CCOCC2)O

$$$$
C13H19N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00278409

> <SMILES>
CC(=O)Nc1ccc(cc1)C[NH+]2CCOCC2

$$$$
C12H18NO
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  3  0
    4.9000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 O   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00278435

> <SMILES>
Cc1cccc(c1)C[NH+]2CCOCC2

$$$$
C11H15FNO
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 O   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00279455

> <SMILES>
c1cc(cc(c1)F)C[NH+]2CCOCC2

$$$$
C16H27N2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000    1.4000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  3  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 N   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  1
  7  8  1
 10  5  1
  9 10  1
  8  9  1
  8 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00279845

> <SMILES>
CC(C)(C)C1CCC(CC1)[NH2+]Cc2ccncc2

$$$$
C14H15FN
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    6.0622    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00280823

> <SMILES>
c1ccc(cc1)C[NH2+]Cc2ccc(cc2)F

$$$$
C15H16N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.0725    0.8999    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    5.6000    4.8497    0.0000 N   0  0  0
   -1.0725   -0.8999    0.0000 C   0  0  0
  1  2  1
  3  4  1
  5  6  1
  6  7  2
  8  2  1
  6  8  1
  4  5  2
  4  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 16 17  3
  2  3  1
  2 18  1
M  END
> <Title>
ZINC00281404

> <SMILES>
CC1(CC(=CC(=O)C1)Nc2ccccc2C#N)C

$$$$
C12H21N2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  3  0
    1.5876    3.1249    0.0000 C   0  0  0
    4.0124    1.7249    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  7  2  2
  7  8  1
  8  9  1
  6  7  1
  6 10  1
  4  5  1
  4 11  1
 11 12  1
 11 13  1
 11 14  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00282353

> <SMILES>
Cc1cc(cc(c1NC)C)[N+](C)(C)C

$$$$
C9H9N5OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 N   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  3  1
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  END
> <Title>
ZINC00283686

> <SMILES>
CCc1nnc(s1)NC(=O)c2cnccn2

$$$$
C10H8F3NO3
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    6.3000    2.6124    0.0000 F   0  0  0
    6.3000   -0.1876    0.0000 F   0  0  0
    7.7000    1.2124    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
 14 16  1
 14 17  1
M  END
> <Title>
ZINC00283931

> <SMILES>
COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F

$$$$
C11H12N4O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 O   0  0  0
    6.3000   -3.6373    0.0000 N   0  0  0
    7.0000   -4.8497    0.0000 N   0  0  0
    8.3923   -4.9961    0.0000 C   0  0  0
    8.6834   -6.3655    0.0000 N   0  0  0
    7.4710   -7.0655    0.0000 N   0  0  0
    6.4306   -6.1287    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 17 13  1
 16 17  2
M  END
> <Title>
ZINC00284149

> <SMILES>
Cc1cccc(c1)OCC(=O)Nn2cnnc2

$$$$
C12H17N2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.3124   -0.5124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -0.8876   -1.9124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
   -2.8000   -2.4249    0.0000 N   0  3  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
 13  5  1
 12 13  1
  2  4  1
  2 14  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00285201

> <SMILES>
CC(C)(Cc1cc2ccccc2[nH]1)[NH3+]

$$$$
C13H17NO3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 O   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00285400

> <SMILES>
CC(C)CC(=O)NCc1ccc2c(c1)OCO2

$$$$
C14H13N3O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.2923   -3.7836    0.0000 N   0  0  0
    6.5834   -5.1531    0.0000 C   0  0  0
    7.7958   -5.8531    0.0000 C   0  0  0
    7.7958   -7.2531    0.0000 C   0  0  0
    6.5834   -7.9531    0.0000 C   0  0  0
    5.3710   -7.2531    0.0000 C   0  0  0
    5.3710   -5.8531    0.0000 C   0  0  0
    4.3306   -4.9163    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 17  9  2
 16 17  1
  4  5  1
  4 18  1
M  END
> <Title>
ZINC00285476

> <SMILES>
c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O

$$$$
C14H12FNO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
M  END
> <Title>
ZINC00288534

> <SMILES>
COc1cccc(c1)C(=O)Nc2ccccc2F

$$$$
C9H16ClN5
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.3124   -0.5124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -0.8876   -1.9124    0.0000 C   0  0  0
   -2.8000   -2.4249    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  1
  7  8  2
  9 10  2
 11  6  2
 10 11  1
 10 12  1
  8  9  1
  8 13  1
 13 14  1
 13 15  1
M  END
> <Title>
ZINC00288964

> <SMILES>
CC(C)(C)Nc1nc(nc(n1)Cl)N(C)C

$$$$
C14H14N2O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00289523

> <SMILES>
CC(=O)Nc1ccc(cc1)Nc2ccccc2

$$$$
C14H11N3O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.3368    3.4653    0.0000 C   0  0  0
   10.6157    2.8958    0.0000 C   0  0  0
   10.4694    1.5035    0.0000 N   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 16 12  2
 15 16  1
 16 17  1
 18 10  1
 17 18  2
M  END
> <Title>
ZINC00289948

> <SMILES>
c1ccc(cc1)C(=O)Nc2cc3cc[nH]c3cn2

$$$$
C8H7N3O2
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.2674   -2.5439    0.0000 N   0  0  0
    1.4000   -3.3668    0.0000 O   0  0  0
    2.5326   -2.5439    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  1
 10 11  2
 11 12  1
 13  9  2
 12 13  1
M  END
> <Title>
ZINC00291833

> <SMILES>
CC(=O)Nc1cccc2c1non2

$$$$
C11H11NO
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
    4.1269   -5.1305    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  2  1
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
 11 13  1
M  END
> <Title>
ZINC00295248

> <SMILES>
Cc1ccc(o1)c2cccc(c2)N

$$$$
C10H16NO
  MOLSOFT 11061513452D

 12 12  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  1
    4.9000   -1.2124    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
 10  7  1
 10 11  1  6
 10 12  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00295638

> <SMILES>
CCOc1ccc(cc1)[C@@H](C)[NH3+]

$$$$
C10H11N3O3
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  8  9  2
 10  5  2
  9 10  1
  9 11  1
 11 12  2
 11 13  1
  7  8  1
  7 14  1
 14 15  2
 14 16  1
M  END
> <Title>
ZINC00296419

> <SMILES>
CC(=O)Nc1cc(cc(c1)C(=O)N)C(=O)N

$$$$
C10H10FN
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 C   0  0  0
    1.2811   -4.8082    0.0000 F   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  1
  6  2  1
  5  6  2
  6  7  1
  7  8  2
 10  5  1
  9 10  2
  8  9  1
  8 11  1
  3  4  1
  3 12  1
M  END
> <Title>
ZINC00296612

> <SMILES>
Cc1c([nH]c2c1cc(cc2)F)C

$$$$
C10H11NOS
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 S   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  8 10  1
 10 11  1
 12  7  1
 11 12  2
 11 13  1
M  END
> <Title>
ZINC00298393

> <SMILES>
CCOc1ccc2c(c1)sc(n2)C

$$$$
C13H18NO3
  MOLSOFT 11061513452D

 17 19  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  1
    2.0923   -6.2085    0.0000 C   0  0  0
    2.3834   -7.5779    0.0000 C   0  0  0
    1.1710   -8.2779    0.0000 C   0  0  0
    0.1306   -7.3411    0.0000 O   0  0  0
    4.1694    0.2911    0.0000 O   0  0  0
    4.3157    1.6834    0.0000 C   0  0  0
    3.0368    2.2528    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
 10  9  1  1
 10 11  1
 11 12  1
 12 13  1
 10 14  1
 13 14  1
  4  5  1
  4 15  1
 15 16  1
 17  3  1
 16 17  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00299710

> <SMILES>
c1cc2c(cc1C[NH2+]C[C@H]3CCCO3)OCO2

$$$$
C14H12FNO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
M  END
> <Title>
ZINC00299931

> <SMILES>
COc1ccc(cc1)C(=O)Nc2ccccc2F

$$$$
C13H16N2O3
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  2
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 O   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  3  1  6
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  5 10  1
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 17 18  1
M  END
> <Title>
ZINC00300290

> <SMILES>
CNC(=O)[C@@H]1CC(=O)N(C1)c2ccc(cc2)OC

$$$$
C15H22N3
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 N   0  3  0
    0.8944   -4.8360    0.0000 C   0  0  0
    1.8312   -5.8764    0.0000 C   0  0  0
    1.3986   -7.2079    0.0000 C   0  0  0
    0.0292   -7.4989    0.0000 C   0  0  0
   -0.9076   -6.4585    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  8  9  1
 10  2  1
  9 10  2
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00301608

> <SMILES>
Cn1c2ccccc2nc1C[NH2+]C3CCCCC3

$$$$
C9H11N5
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -2.2770    6.7496    0.0000 C   0  0  0
   -0.9076    6.4585    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  5  1
  6  2  1
  5  6  2
  3  4  2
  3  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
M  END
> <Title>
ZINC00301651

> <SMILES>
Cn1c(nnn1)NCc2ccccc2

$$$$
C13H22N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 O   0  0  0
    6.3000    6.0622    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 14  9  1
 13 14  1
 12 13  1
 12 15  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC00302145

> <SMILES>
C1CCC(CC1)C(=O)N2CCC(CC2)C(=O)N

$$$$
C6H13NO2S
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.3124   -0.5124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 S   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
   -2.8000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  2
  2  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
 10  6  1
  9 10  1
M  END
> <Title>
ZINC00304622

> <SMILES>
CS(=O)(=O)NC1CCCC1

$$$$
C9H7F3N2O2
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.5876    5.5497    0.0000 F   0  0  0
    4.0124    4.1497    0.0000 F   0  0  0
    3.5000    6.0622    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  7  9  1
  3  4  2
  3 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 13 15  1
 13 16  1
M  END
> <Title>
ZINC00306049

> <SMILES>
c1cc(ccc1C(=O)N)NC(=O)C(F)(F)F

$$$$
C11H17N3OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  6  1
  9 10  1
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00311350

> <SMILES>
CCC(=O)Nc1nnc(s1)C2CCCCC2

$$$$
C14H18N2O2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -0.0000   -6.2497    0.0000 C   0  0  0
   -1.2124   -5.5497    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 O   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 12 10  1
 11 12  1
  3  4  1
  3 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00313537

> <SMILES>
c1cc(ccc1NC(=O)C2CC2)N3CCOCC3

$$$$
C11H16NO3
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 N   0  3  0
    4.8570    0.4159    0.0000 C   0  0  0
    6.2494    0.5623    0.0000 C   0  0  0
    6.8188   -0.7167    0.0000 C   0  0  0
    5.7784   -1.6535    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 11  1
 14 15  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00315188

> <SMILES>
COC(=O)c1ccc(o1)C[NH+]2CCCC2

$$$$
C12H14FNO2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 N   0  0  0
    2.0923   -6.2085    0.0000 C   0  0  0
    2.3834   -7.5779    0.0000 C   0  0  0
    1.1710   -8.2779    0.0000 C   0  0  0
    0.1306   -7.3411    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 15 11  1
 14 15  1
  3  4  1
  3 16  1
M  END
> <Title>
ZINC00316079

> <SMILES>
c1cc(ccc1OCC(=O)N2CCCC2)F

$$$$
C8H11NO3
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 O   0  0  0
    4.5660   -0.9535    0.0000 O   0  5  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  8 10  1
 10 11  2
 10 12  1
M  CHG  2   2   1  12  -1
M  END
> <Title>
ZINC00316386

> <SMILES>
C[NH+](C)Cc1ccc(o1)C(=O)[O-]

$$$$
C11H12N2O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  8  4  2
  7  8  1
  6  7  1
  6  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
M  END
> <Title>
ZINC00319202

> <SMILES>
CCCc1nc(on1)c2ccc(cc2)O

$$$$
C14H13NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  8  9  1
 10  5  1
  9 10  2
 10 11  1
  7  8  2
  7 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00319638

> <SMILES>
CC(=O)Nc1cc(ccc1O)c2ccccc2

$$$$
C13H12N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 N   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    6.3000    8.4870    0.0000 O   0  0  0
    4.2000    9.6995    0.0000 O   0  5  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  3  4  1
  3  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 14  9  1
 13 14  2
 14 15  1
 12 13  1
 12 16  1
 16 17  2
 16 18  1
M  CHG  1  18  -1
M  END
> <Title>
ZINC00319713

> <SMILES>
c1cc(cnc1)CNc2ccc(cc2N)C(=O)[O-]

$$$$
C13H12N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    3.6373    0.0000 O   0  5  0
    4.9000    8.4870    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  3  4  1
  3  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 14  9  1
 13 14  2
 14 15  1
 15 16  2
 15 17  1
 12 13  1
 12 18  1
M  CHG  1  17  -1
M  END
> <Title>
ZINC00319716

> <SMILES>
c1cc(cnc1)CNc2ccc(cc2C(=O)[O-])N

$$$$
C13H15N3S
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 S   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 N   0  0  0
   -2.9624   -4.5100    0.0000 N   0  0  0
   -3.2534   -5.8795    0.0000 C   0  0  0
   -4.6458   -6.0258    0.0000 C   0  0  0
   -5.2152   -4.7468    0.0000 C   0  0  0
   -4.1748   -3.8100    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  1
 11  7  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  1
 16 12  1
 15 16  1
  3  4  2
  3 17  1
M  END
> <Title>
ZINC00321689

> <SMILES>
c1cc(ccc1c2csc(n2)N3CCCC3)N

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00322331

> <SMILES>
CC(=O)Nc1nnc(s1)COc2ccccc2

$$$$
C12H13N3O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 O   0  0  0
    6.3000    3.6373    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 13 15  1
 15 16  1
 16 17  2
 18 11  1
 16 18  1
M  END
> <Title>
ZINC00322353

> <SMILES>
CCOc1ccc(cc1)Nc2cc(=O)[nH]c(=O)[nH]2

$$$$
C7H12N4O
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 N   0  0  0
    6.3544   -0.7000    0.0000 O   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    4.5903    2.4641    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  9 10  1
 11  7  2
 10 11  1
  8  9  2
  8 12  1
M  END
> <Title>
ZINC00322796

> <SMILES>
C1CCN(CC1)c2c(non2)N

$$$$
C8H8N2OS
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 S   0  0  0
    5.5282   -2.3834    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  2
 11  6  1
 10 11  1
 10 12  1
M  END
> <Title>
ZINC00323233

> <SMILES>
COc1ccc2c(c1)nc(s2)N

$$$$
C12H12N2O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 O   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
  4  5  2
  4 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00323795

> <SMILES>
Cc1nc(c(s1)NC(=O)OC)c2ccccc2

$$$$
C9H8ClN5O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 N   0  0  0
    2.0923   -6.2085    0.0000 C   0  0  0
    2.3834   -7.5779    0.0000 N   0  0  0
    1.1710   -8.2779    0.0000 N   0  0  0
    0.1306   -7.3411    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 15 11  1
 14 15  2
  3  4  2
  3 16  1
M  END
> <Title>
ZINC00329883

> <SMILES>
c1cc(ccc1NC(=O)Nn2cnnc2)Cl

$$$$
C14H10O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -1.2124    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 O   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -4.9000    1.2124    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  3
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 16  7  2
 15 16  1
M  END
> <Title>
ZINC00330282

> <SMILES>
COC(=O)C#Cc1ccc2ccccc2c1

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    5.7917   -1.4000    0.0000 C   0  0  0
    5.7917   -2.8000    0.0000 O   0  0  0
    7.0041   -0.7000    0.0000 N   0  0  0
    8.2166   -1.4000    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 13  5  1
 12 13  1
 10 11  2
 10 14  1
 14 15  2
 14 16  1
 16 17  1
M  END
> <Title>
ZINC00330495

> <SMILES>
CC(=O)Nc1nc2ccc(cc2s1)C(=O)NC

$$$$
C5H7N3
  MOLSOFT 11061513452D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
M  END
> <Title>
ZINC00330858

> <SMILES>
CNc1ncccn1

$$$$
C10H8N2
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
M  END
> <Title>
ZINC00331228

> <SMILES>
c1ccc(cc1)c2ccnnc2

$$$$
C14H11N3O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 N   0  0  0
    6.3544    0.7000    0.0000 N   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 O   0  0  0
    7.4870   -1.5229    0.0000 C   0  0  0
    8.7660   -0.9535    0.0000 C   0  0  0
    9.8986   -1.7764    0.0000 C   0  0  0
    9.7522   -3.1687    0.0000 C   0  0  0
    8.4733   -3.7381    0.0000 C   0  0  0
    7.3407   -2.9152    0.0000 C   0  0  0
   10.8849   -3.9916    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC00333225

> <SMILES>
c1ccc(cc1)c2nnc(o2)c3ccc(cc3)N

$$$$
C13H19N2
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  2
    0.7000    6.0622    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 C   0  0  0
    0.7000    8.4870    0.0000 C   0  0  0
    2.1000    8.4870    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  3  4  1
  3  7  1
  7  8  1
  8  9  1
 10  9  1  6
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 10 15  1
 14 15  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00333236

> <SMILES>
c1cc(cnc1)C[NH2+]C[C@@H]2CCC=CC2

$$$$
C6H12N2OS2
  MOLSOFT 11061513452D

 11 11  0  0  1  0  0  0  0  0999 V2000
   -1.0404    0.9368    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  1
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
   -0.9791    2.7552    0.0000 O   0  0  0
   -1.0404   -0.9368    0.0000 C   0  0  0
  1  2  1
  4  5  1
  5  6  2
  7  2  1
  5  7  1
  7  8  1
  3  4  1
  3  9  1  6
  9 10  1
  3  2  1
  2 11  1
M  END
> <Title>
ZINC00333336

> <SMILES>
CC1([C@@H](SC(=S)N1C)NO)C

$$$$
C10H10N4O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    9.2229    3.5575    0.0000 C   0  0  0
   10.5544    3.1249    0.0000 N   0  0  0
   10.5544    1.7249    0.0000 N   0  0  0
    9.2229    1.2922    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 16 12  1
 15 16  2
M  END
> <Title>
ZINC00333594

> <SMILES>
c1ccc(cc1)OCC(=O)Nn2cnnc2

$$$$
C11H9N4O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 O   0  5  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  4  5  1
  4 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
M  CHG  1   9  -1
M  END
> <Title>
ZINC00333609

> <SMILES>
c1ccc(c(c1)C(=O)[O-])Nc2ccnc(n2)N

$$$$
C6H8N2O3
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  1
  7  8  2
  7  9  1
 10  4  1
  9 10  1
 10 11  2
M  END
> <Title>
ZINC00334157

> <SMILES>
COCc1c[nH]c(=O)[nH]c1=O

$$$$
C5H6N2O
  MOLSOFT 11061513452D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
M  END
> <Title>
ZINC00334489

> <SMILES>
COc1cncnc1

$$$$
C9H17N3O2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
 11  6  1
 10 11  1
  9 10  1
  9 12  1
 12 13  2
 12 14  1
M  END
> <Title>
ZINC00334965

> <SMILES>
CCNC(=O)N1CCN(CC1)C(=O)C

$$$$
C12H16N2O2
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000    2.6124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -3.5000   -0.1876    0.0000 C   0  0  0
   -4.9000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 12 13  2
 13 14  1
 14 15  2
 14 16  1
M  END
> <Title>
ZINC00335497

> <SMILES>
CC(C)(C)C(=O)Nc1ccccc1C(=O)N

$$$$
C7H11N3O2
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 11 12  1
M  END
> <Title>
ZINC00337587

> <SMILES>
CNC(=O)OCc1nccn1C

$$$$
C14H13NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 N   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
  5  6  1
  5 17  1
M  END
> <Title>
ZINC00338718

> <SMILES>
Cc1ccc(c(c1)OC(=O)c2ccncc2)C

$$$$
C15H13O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 O   0  5  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
  3  4  1
  3 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  CHG  1  11  -1
M  END
> <Title>
ZINC00339196

> <SMILES>
c1cc(ccc1CCC(=O)[O-])c2ccc(cc2)O

$$$$
C11H15N5O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 N   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  1
  7  2  2
  6  7  1
  6  8  2
  9 10  2
 11  5  2
 10 11  1
 10 12  1
  8  9  1
  8 13  1
 13 14  1
 14 15  1
 14 16  1
  3  4  2
  3 17  1
M  END
> <Title>
ZINC00339495

> <SMILES>
Cc1c(nc2c(n1)c(nc(n2)N)OC(C)C)C

$$$$
C13H12FNO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.5248    7.5992    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    8.6574    8.4221    0.0000 F   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00339915

> <SMILES>
c1cc(oc1)C(=O)NCCc2ccc(cc2)F

$$$$
C11H15NO2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
M  END
> <Title>
ZINC00342142

> <SMILES>
Cc1ccc(cc1)CNC(=O)COC

$$$$
C11H10N4O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 N   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    8.4000   -2.4249    0.0000 N   0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 11 13  1
 13 14  2
 13 15  1
 10 11  2
 10 16  1
M  END
> <Title>
ZINC00343530

> <SMILES>
c1ccc(cc1)c2cnc(c(n2)C(=O)N)N

$$$$
C12H16N3O
  MOLSOFT 11061513452D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 C   0  0  0
    6.7406   -1.6834    0.0000 N   0  3  0
    6.7406   -0.2834    0.0000 C   0  0  0
    7.9531    0.4166    0.0000 C   0  0  0
    9.1655   -0.2834    0.0000 O   0  0  0
    9.1655   -1.6834    0.0000 C   0  0  0
    7.9531   -2.3834    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  9  4  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00344445

> <SMILES>
c1ccc2c(c1)[nH]c(n2)C[NH+]3CCOCC3

$$$$
C10H7ClO2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -1.2124    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 O   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -4.9000    1.2124    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  3
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
M  END
> <Title>
ZINC00345417

> <SMILES>
COC(=O)C#Cc1ccc(cc1)Cl

$$$$
C16H23NO
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000    1.4000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  1
  7  8  1
 10  5  1
  9 10  1
  8  9  1
  8 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00346025

> <SMILES>
CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2

$$$$
C8H12N6S
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 S   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  7  8  2
  9  4  2
  8  9  1
  8 10  1
 10 11  1
  6  7  1
  6 12  1
 12 13  1
 12 14  1
 14 15  3
M  END
> <Title>
ZINC00346071

> <SMILES>
CN(C)c1nc(nc(n1)SC)N(C)C#N

$$$$
C10H13N2
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  3
M  CHG  1   2   1
M  END
> <Title>
ZINC00346211

> <SMILES>
C[NH+](C)Cc1ccc(cc1)C#N

$$$$
C11H16N4O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
 11  6  1
 10 11  1
  9 10  1
  9 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00346493

> <SMILES>
CCOC(=O)N1CCN(CC1)c2ncccn2

$$$$
C12H11FN2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 O   0  0  0
    4.1269    5.1305    0.0000 N   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.5248    7.5992    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    8.6574    8.4221    0.0000 F   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00347383

> <SMILES>
c1cc(oc1)CNC(=O)Nc2ccc(cc2)F

$$$$
C11H18NO
  MOLSOFT 11061513452D

 13 13  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  1
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  3  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
  2  1  1  6
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
  2  3  1
  2 11  1
 11 12  1
 11 13  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00347523

> <SMILES>
C[C@@H](Cc1ccc(cc1)O)[NH+](C)C

$$$$
C10H11O5
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2
  8  3  2
  8  9  1
  9 10  1
  7  8  1
  7 11  1
 11 12  1
  5  6  1
  5 13  1
 13 14  2
 13 15  1
M  CHG  1  15  -1
M  END
> <Title>
ZINC00347833

> <SMILES>
COc1cc(cc(c1OC)OC)C(=O)[O-]

$$$$
C9H11N3O2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 12 14  1
M  END
> <Title>
ZINC00349236

> <SMILES>
CC(=O)Nc1cccc(c1)NC(=O)N

$$$$
C12H12N2O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
 11  7  1
 10 11  1
  9 10  2
  9 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00355189

> <SMILES>
COCC(=O)Nc1nc(cs1)c2ccccc2

$$$$
C12H14N4O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 O   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 N   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  7  3  1
  6  7  2
  5  6  1
  5  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00355878

> <SMILES>
CCn1cc(cn1)CNC(=O)c2cccnc2

$$$$
C10H14ClN3O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 Cl  0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.9159    1.7148    0.0000 C   0  0  0
   -3.2853    2.0059    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
  1  2  1
  2  3  1
  6  2  1
  5  6  2
  4  5  1
  4  7  1
  3  4  2
  3  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00355961

> <SMILES>
Cn1c(c(cn1)Cl)C(=O)N2CCCCC2

$$$$
C15H12N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 C   0  0  0
    9.8000   -2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
 17 18  3
M  END
> <Title>
ZINC00357343

> <SMILES>
Cc1ccc(cc1)C(=O)Nc2cccc(c2)C#N

$$$$
C14H19NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00357470

> <SMILES>
c1ccc(cc1)OCC(=O)NC2CCCCC2

$$$$
C12H17FNO
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  1
    2.0923   -6.2085    0.0000 C   0  0  0
    2.3834   -7.5779    0.0000 C   0  0  0
    1.1710   -8.2779    0.0000 C   0  0  0
    0.1306   -7.3411    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
 10  9  1  1
 10 11  1
 11 12  1
 12 13  1
 10 14  1
 13 14  1
  3  4  2
  3 15  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00357574

> <SMILES>
c1cc(ccc1C[NH2+]C[C@H]2CCCO2)F

$$$$
C13H16N2OS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 S   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  8  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00358861

> <SMILES>
CCC(=O)NC(=S)N1CCCc2c1cccc2

$$$$
C12H14N2O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 N   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  2
 17 11  1
 15 17  1
M  END
> <Title>
ZINC00359136

> <SMILES>
c1ccc(cc1)OCC(=O)N2CCNC(=O)C2

$$$$
C16H12N2O
  MOLSOFT 11061513452D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.2000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  1
 15 10  2
 14 15  1
 14 16  2
 16 17  1
 17 18  2
 19 13  2
 18 19  1
M  END
> <Title>
ZINC00359137

> <SMILES>
c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3

$$$$
C10H16N2O2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 O   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
    4.7123    0.4389    0.0000 C   0  0  0
    5.9913    1.0083    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 N   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  1  1
  4  5  1
  4  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 14  8  1
 12 14  1
M  END
> <Title>
ZINC00359210

> <SMILES>
C1CCC(C1)C(=O)N2CCNC(=O)C2

$$$$
C14H15NO
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  END
> <Title>
ZINC00359752

> <SMILES>
Cc1ccc(cc1)CNc2ccc(cc2)O

$$$$
C10H18NOS
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 N   0  3  0
    0.8944   -4.8360    0.0000 C   0  0  0
    2.2259   -5.2686    0.0000 C   0  0  0
   -0.4370   -4.4034    0.0000 C   0  0  0
    0.4618   -6.1675    0.0000 C   0  0  0
    1.3986   -7.2079    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  2  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
  9 11  1
  9 12  1
 12 13  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00359840

> <SMILES>
Cc1ccsc1C[NH2+]C(C)(C)CO

$$$$
C9H16NOS
  MOLSOFT 11061513452D

 12 12  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 N   0  3  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  1
    7.1239    0.1854    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  2  1
  5  6  1
  5  7  1
  7  8  1
  8  9  1
 10  9  1
 10 11  1  1
 10 12  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00360078

> <SMILES>
Cc1ccc(s1)C[NH2+]C[C@@H](C)O

$$$$
C10H13N5
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.5694   -6.1287    0.0000 N   0  0  0
   -0.4710   -7.0655    0.0000 N   0  0  0
   -1.6834   -6.3655    0.0000 N   0  0  0
   -1.3923   -4.9961    0.0000 N   0  0  0
   -2.3291   -3.9557    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
 14 15  1
M  END
> <Title>
ZINC00360580

> <SMILES>
Cc1ccccc1CNc2nnnn2C

$$$$
C14H12FNO
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
M  END
> <Title>
ZINC00361437

> <SMILES>
c1ccc(cc1)CNC(=O)c2cccc(c2)F

$$$$
C11H15NO2
  MOLSOFT 11061513452D

 14 14  0  0  1  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  2
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
  2  1  1  6
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  2  3  1
  2  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
M  END
> <Title>
ZINC00361814

> <SMILES>
C[C@H](c1ccccc1)NC(=O)COC

$$$$
C15H15NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00361970

> <SMILES>
CCOc1ccc(cc1)C(=O)Nc2ccccc2

$$$$
C9H14N2OS
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -0.0000    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
  1  2  1
  2  3  1
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  9  1
 12 13  1
M  END
> <Title>
ZINC00362144

> <SMILES>
CCC(CC)C(=O)Nc1nccs1

$$$$
C10H13NO2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
M  END
> <Title>
ZINC00362817

> <SMILES>
COCC(=O)NCc1ccccc1

$$$$
C11H15NO2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
M  END
> <Title>
ZINC00362825

> <SMILES>
CC(C)CC(=O)Nc1ccc(cc1)O

$$$$
C15H15NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
   12.6000    2.4249    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC00362862

> <SMILES>
c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O

$$$$
C12H17NO2
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  7  2  2
  6  7  1
  6  8  1
  5  6  2
  5  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
  4  5  1
  4 15  1
M  END
> <Title>
ZINC00363473

> <SMILES>
Cc1cc(c(c(c1)C)NC(=O)COC)C

$$$$
C9H11NO3
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
M  END
> <Title>
ZINC00363785

> <SMILES>
COCC(=O)Nc1ccc(cc1)O

$$$$
C9H11ClN2O
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 12 13  1
M  END
> <Title>
ZINC00363816

> <SMILES>
CCCC(=O)Nc1cccnc1Cl

$$$$
C12H17NO2
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -0.0000    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
M  END
> <Title>
ZINC00363840

> <SMILES>
CCC(CC)C(=O)Nc1ccccc1O

$$$$
C13H16O3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.5694   -6.1287    0.0000 C   0  0  0
   -0.4710   -7.0655    0.0000 C   0  0  0
   -1.6834   -6.3655    0.0000 C   0  0  0
   -1.3923   -4.9961    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  1
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00363966

> <SMILES>
COc1ccccc1OC(=O)C2CCCC2

$$$$
C8H7N3O2S2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 S   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    7.0301   -1.3437    0.0000 C   0  0  0
    7.8530   -2.4764    0.0000 C   0  0  0
    7.0301   -3.6090    0.0000 C   0  0  0
    5.6986   -3.1764    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  3  1
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  2
 12 13  1
 13 14  2
 15 11  1
 14 15  1
M  END
> <Title>
ZINC00364057

> <SMILES>
CSc1nnc(s1)NC(=O)c2ccco2

$$$$
C7H11N3OS2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 S   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
 12 13  1
M  END
> <Title>
ZINC00364126

> <SMILES>
CCCC(=O)Nc1nnc(s1)SC

$$$$
C12H11NO3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  7  8  1
  5  6  1
  5  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00364435

> <SMILES>
Cc1ccc(cc1O)NC(=O)c2ccco2

$$$$
C13H14N2O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.2229    3.5575    0.0000 C   0  0  0
   10.5544    3.1249    0.0000 C   0  0  0
   10.5544    1.7249    0.0000 O   0  0  0
    9.2229    1.2922    0.0000 N   0  0  0
   11.6870    3.9478    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 17 13  2
 16 17  1
 15 16  1
 15 18  1
M  END
> <Title>
ZINC00364954

> <SMILES>
Cc1ccc(cc1)OCC(=O)Nc2cc(on2)C

$$$$
C14H12FNO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 F   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  7  8  1
  5  6  1
  5  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
M  END
> <Title>
ZINC00364992

> <SMILES>
Cc1ccc(cc1O)NC(=O)c2cccc(c2)F

$$$$
C12H11NO2S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.1229   -2.5047    0.0000 C   0  0  0
    8.4544   -2.9373    0.0000 C   0  0  0
    8.4544   -4.3373    0.0000 C   0  0  0
    7.1229   -4.7699    0.0000 S   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 11  1
 14 15  1
  4  5  1
  4 16  1
M  END
> <Title>
ZINC00365255

> <SMILES>
c1ccc(c(c1)NC(=O)Cc2cccs2)O

$$$$
C12H17NO2
  MOLSOFT 11061513452D

 15 15  0  0  1  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  2
   -4.2000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
  1  2  1
  3  2  1
  3  4  1  6
  3  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 13  8  1
 12 13  2
 12 14  1
 11 12  1
 11 15  1
M  END
> <Title>
ZINC00365434

> <SMILES>
CC[C@H](C)C(=O)Nc1ccc(c(c1)O)C

$$$$
C13H15NO4
  MOLSOFT 11061513452D

 18 20  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  1
    4.2000   -0.0000    0.0000 O   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 O   0  0  0
    7.0000   -0.0000    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000   -0.0000    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  9  8  1
 10  4  1
  9 10  1
  9 11  1  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00365541

> <SMILES>
c1ccc2c(c1)OC[C@@H](O2)C(=O)N3CCOCC3

$$$$
C13H16N2OS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 S   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870   -1.5229    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  2
 13 14  1
 14 15  1
 16 12  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC00368040

> <SMILES>
CC(C)COc1ccc(cc1)c2csc(n2)N

$$$$
C8H5ClF3NO
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.5876    5.5497    0.0000 F   0  0  0
    4.0124    4.1497    0.0000 F   0  0  0
    3.5000    6.0622    0.0000 F   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 11 13  1
 11 14  1
M  END
> <Title>
ZINC00368461

> <SMILES>
c1cc(cc(c1)Cl)NC(=O)C(F)(F)F

$$$$
C8H6ClN5O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.2306    6.1287    0.0000 N   0  0  0
    3.2710    7.0655    0.0000 C   0  0  0
    4.4834    6.3655    0.0000 N   0  0  0
    4.1923    4.9961    0.0000 N   0  0  0
  1  2  1
  2  3  2
  6  1  2
  5  6  1
  4  5  2
  4  7  1
  3  4  1
  3  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 15 11  2
 14 15  1
M  END
> <Title>
ZINC00369119

> <SMILES>
c1cc(c(nc1)Cl)C(=O)Nc2nc[nH]n2

$$$$
C10H12N2O3S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 S   0  0  0
    4.1269    5.1305    0.0000 N   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 O   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00369375

> <SMILES>
c1cc(oc1)C(=O)NC(=S)N2CCOCC2

$$$$
C14H15NOS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.4306    3.7038    0.0000 C   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 S   0  0  0
    5.0612    3.9949    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  2
 14 15  2
 16 12  1
 15 16  1
 13 14  1
 13 17  1
M  END
> <Title>
ZINC00371249

> <SMILES>
Cc1ccc(cc1)CNC(=O)c2c(ccs2)C

$$$$
C13H13N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00371753

> <SMILES>
CCc1ccc(cc1)NC(=O)c2cnccn2

$$$$
C13H16ClNO
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  2
    1.2124    0.7000    0.0000 C   0  0  0
    1.2124   -0.7000    0.0000 C   0  0  1
    1.9124   -1.9124    0.0000 C   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
    3.3124   -1.9124    0.0000 N   0  0  0
    4.0124   -3.1249    0.0000 C   0  0  0
    5.4124   -3.1249    0.0000 C   0  0  0
    6.1124   -4.3373    0.0000 C   0  0  0
    7.5124   -4.3373    0.0000 C   0  0  0
    8.2124   -5.5497    0.0000 C   0  0  0
    7.5124   -6.7622    0.0000 C   0  0  0
    6.1124   -6.7622    0.0000 C   0  0  0
    5.4124   -5.5497    0.0000 C   0  0  0
    8.2124   -7.9746    0.0000 Cl  0  0  0
  2  1  1  6
  2  3  1
  4  2  1
  4  3  1
  4  5  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  END
> <Title>
ZINC00372122

> <SMILES>
C[C@@H]1C[C@H]1C(=O)NCCc2ccc(cc2)Cl

$$$$
C9H9N3O
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -8.4870    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  3
M  END
> <Title>
ZINC00372245

> <SMILES>
c1cnccc1CNC(=O)CC#N

$$$$
C12H14N2S
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 S   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870   -1.5229    0.0000 N   0  0  0
    4.5903    2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  7  8  1
  5  6  1
  5  9  1
  9 10  2
 11 12  1
 13  9  1
 12 13  2
 12 14  1
 10 11  1
 10 15  1
M  END
> <Title>
ZINC00373253

> <SMILES>
Cc1ccc(cc1C)c2c(sc(n2)N)C

$$$$
C11H13N3O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7432    4.5193    0.0000 C   0  0  0
   -2.7432    5.9193    0.0000 C   0  0  0
   -1.4118    6.3519    0.0000 O   0  0  0
   -0.5889    5.2193    0.0000 N   0  0  0
   -3.8759    6.7422    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  7  3  2
  6  7  1
  5  6  1
  5  8  1
  4  5  2
  4  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 16 12  2
 15 16  1
 14 15  1
 14 17  1
M  END
> <Title>
ZINC00373530

> <SMILES>
CCc1c(c(on1)C)C(=O)Nc2cc(on2)C

$$$$
C12H17NO2
  MOLSOFT 11061513452D

 15 15  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  2
   -2.1000    1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  3  2  1
  3  4  1  6
  3  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  9 11  1
  8  9  2
  8 12  1
 12 13  1
 13 14  2
 13 15  1
M  END
> <Title>
ZINC00373625

> <SMILES>
CC[C@H](C)c1ccc(c(c1)O)NC(=O)C

$$$$
C13H17FNO2
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  3
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  2
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    4.2000   -7.2746    0.0000 F   0  0  0
  2  1  1
  2  3  1
  3  4  1
  4  5  1
  6  5  1
  2  7  1
  6  7  1
  6  8  1  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00375622

> <SMILES>
C[NH+]1CCC[C@H](C1)OC(=O)c2cccc(c2)F

$$$$
C13H14N2O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 O   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870    1.5229    0.0000 C   0  0  0
    8.7660    0.9535    0.0000 O   0  0  0
    7.3407    2.9152    0.0000 O   0  0  0
    8.4733    3.7381    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 14 10  2
 13 14  1
 12 13  1
 12 15  1
 15 16  2
 15 17  1
 17 18  1
M  END
> <Title>
ZINC00376589

> <SMILES>
CN(C)c1ccc(cc1)c2cc(on2)C(=O)OC

$$$$
C12H14N2O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  1
 12  8  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
M  END
> <Title>
ZINC00379050

> <SMILES>
COC(=O)NCCc1c[nH]c2c1cccc2

$$$$
C12H12N2O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 O   0  0  0
    1.3271   -3.5045    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
 12 13  1
 14  6  2
 13 14  1
 14 15  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC00380718

> <SMILES>
CCC(=O)Nc1c2ccccc2oc1C(=O)N

$$$$
C13H10ClNO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 C   0  0  0
    0.7000    8.4870    0.0000 C   0  0  0
    2.1000    8.4870    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
   -0.0000    9.6995    0.0000 Cl  0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  3  4  1
  3  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00381702

> <SMILES>
c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl

$$$$
C9H12N2O3S
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 11  6  1
 10 11  2
  9 10  1
  9 12  1
 12 13  2
 12 14  2
 12 15  1
M  END
> <Title>
ZINC00381801

> <SMILES>
CCC(=O)Nc1ccc(cc1)S(=O)(=O)N

$$$$
C12H15F2NO
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.4124   -1.7249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.9876   -3.1249    0.0000 C   0  0  0
   -4.9000   -3.6373    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 F   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 14  9  1
 13 14  2
 14 15  1
 12 13  1
 12 16  1
M  END
> <Title>
ZINC00382439

> <SMILES>
CC(C)(C)CC(=O)Nc1ccc(cc1F)F

$$$$
C9H12N2O3S
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 S   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
   -2.8000   -2.4249    0.0000 C   0  0  0
  1  2  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  6  7  1
  6  9  1
  9 10  2
  9 11  1
  2  3  1
  2 12  1
 12 13  2
 12 14  2
 12 15  1
M  END
> <Title>
ZINC00382486

> <SMILES>
CN(c1ccc(cc1)C(=O)N)S(=O)(=O)C

$$$$
C12H13N3OS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 N   0  0  0
    8.4544    1.9124    0.0000 N   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 S   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 13  1
 16 17  1
M  END
> <Title>
ZINC00382952

> <SMILES>
CC(C)c1ccc(cc1)C(=O)Nc2nncs2

$$$$
C13H13N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 N   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 N   0  0  0
    0.0000   -9.6995    0.0000 C   0  0  0
   -1.4000   -9.6995    0.0000 C   0  0  0
   -2.1000   -8.4870    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00383096

> <SMILES>
Cc1ccccc1OCC(=O)Nc2ncccn2

$$$$
C15H15NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 16 11  1
 15 16  2
 16 17  1
 14 15  1
 14 18  1
M  END
> <Title>
ZINC00383749

> <SMILES>
Cc1cccc(c1)C(=O)Nc2ccc(cc2O)C

$$$$
C15H15NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  6  8  1
  5  6  1
  5  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
M  END
> <Title>
ZINC00383776

> <SMILES>
Cc1ccc(c(c1)O)NC(=O)c2ccccc2C

$$$$
C13H19NO2
  MOLSOFT 11061513452D

 16 16  0  0  1  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  1
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  1  1  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 13 15  1
  2  3  1
  2 16  1
M  END
> <Title>
ZINC00383830

> <SMILES>
C[C@@H](c1cccc(c1)NC(=O)CC(C)C)O

$$$$
C12H13NO
  MOLSOFT 11061513452D

 14 16  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.1357   -1.4920    0.0000 C   0  0  1
    5.3680   -2.0448    0.0000 C   0  0  0
    5.6206   -3.3141    0.0000 C   0  0  0
    4.3731   -2.7391    0.0000 C   0  0  1
    4.6061   -1.0097    0.0000 O   0  0  0
    2.9741   -3.3395    0.0000 C   0  0  0
    2.7976   -2.0818    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  8  7  1
  8  9  1  1
  9 10  1
 11 10  1  6
 12  7  1
 11 12  1
 11 13  1
  8 14  1
 13 14  2
M  END
> <Title>
ZINC00384067

> <SMILES>
c1ccc(cc1)N2[C@H]3CC[C@@H](O2)C=C3

$$$$
C12H13N3OS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.5694   -6.1287    0.0000 C   0  0  0
   -0.4710   -7.0655    0.0000 N   0  0  0
   -1.6834   -6.3655    0.0000 N   0  0  0
   -1.3923   -4.9961    0.0000 S   0  0  0
    1.9388   -6.4198    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  2
 14 15  2
 16 12  1
 15 16  1
 13 14  1
 13 17  1
M  END
> <Title>
ZINC00385474

> <SMILES>
CCc1ccccc1NC(=O)c2c(nns2)C

$$$$
C9H11N5OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.9159    1.7148    0.0000 O   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7432    4.5193    0.0000 C   0  0  0
   -2.7432    5.9193    0.0000 C   0  0  0
   -1.4118    6.3519    0.0000 C   0  0  0
   -0.5889    5.2193    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  6  7  1
  8  4  1
  7  8  2
  5  6  2
  5  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00386318

> <SMILES>
CCCn1c(nnn1)NC(=O)c2cccs2

$$$$
C12H17N3O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 O   0  0  0
    9.1000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  5  6  1
  5  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  2
 14 16  1
M  END
> <Title>
ZINC00386749

> <SMILES>
Cc1ccc(cc1)N2CCN(CC2)C(=O)N

$$$$
C11H14FN3O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 N   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -3.5000   -6.0622    0.0000 O   0  0  0
   -1.4000   -7.2746    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 12  7  1
 11 12  1
 10 11  1
 10 13  1
 13 14  2
 13 15  1
  3  4  2
  3 16  1
M  END
> <Title>
ZINC00386756

> <SMILES>
c1cc(ccc1N2CCN(CC2)C(=O)N)F

$$$$
C13H20N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 N   0  3  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 16 11  1
 15 16  1
 14 15  1
 14 17  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00386881

> <SMILES>
Cc1cccc(c1)NC(=O)N2CC[NH+](CC2)C

$$$$
C12H17FN3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00386890

> <SMILES>
C[NH+]1CCN(CC1)C(=O)Nc2ccc(cc2)F

$$$$
C8H13N3O2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 N   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 13  9  1
 12 13  2
M  END
> <Title>
ZINC00387415

> <SMILES>
CN(C)C(=O)OCCn1ccnc1

$$$$
C13H13NO2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.3124   -0.5124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 S   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
   -2.8000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  2
  2  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00387469

> <SMILES>
CS(=O)(=O)Nc1ccc(cc1)c2ccccc2

$$$$
C10H16NO
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  3  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 10 12  1
M  CHG  1   3   1
M  END
> <Title>
ZINC00388040

> <SMILES>
CC[NH+](CC)c1cccc(c1)O

$$$$
C7H9NO
  MOLSOFT 11061513452D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  6  7  1
  6  9  1
M  END
> <Title>
ZINC00388191

> <SMILES>
CNc1ccc(cc1)O

$$$$
C7H7ClO
  MOLSOFT 11061513452D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  6  7  1
  6  9  1
M  END
> <Title>
ZINC00388374

> <SMILES>
COc1ccc(cc1)Cl

$$$$
C6H14NO2
  MOLSOFT 11061513452D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  3  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
M  CHG  1   6   1
M  END
> <Title>
ZINC00388749

> <SMILES>
C1COCC[NH+]1CCO

$$$$
C11H15ClN2O2
  MOLSOFT 11061513452D

 16 16  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  1
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 O   0  0  0
   -7.7000   -3.6373    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
  2  1  1  1
  3  4  1
  4  5  1
  2  3  1
  2  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  END
> <Title>
ZINC00388944

> <SMILES>
C[C@@H](COC)NC(=O)Nc1ccc(cc1)Cl

$$$$
C11H22N2O3
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.4124   -1.7249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.9876   -3.1249    0.0000 C   0  0  0
   -2.9876   -4.5249    0.0000 O   0  0  0
   -4.9000   -3.6373    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  3  4  1
  2  3  1
  5  6  1
  2  5  1
  2  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00388969

> <SMILES>
CC(CO)(CO)NC(=O)NC1CCCCC1

$$$$
C13H18N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 N   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 C   0  0  0
    0.7000    8.4870    0.0000 C   0  0  0
    2.1000    8.4870    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00388976

> <SMILES>
c1cc(cc(c1)O)NC(=O)NC2CCCCC2

$$$$
C8H9NO3
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
M  END
> <Title>
ZINC00389485

> <SMILES>
c1ccc(cc1)COC(=O)NO

$$$$
C8H9FO
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  4  5  2
  4  9  1
  9 10  1
M  END
> <Title>
ZINC00389595

> <SMILES>
Cc1cc(ccc1F)OC

$$$$
C10H16NO3
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2
  8  3  2
  8  9  1
  9 10  1
  7  8  1
  7 11  1
 11 12  1
  5  6  1
  5 13  1
 13 14  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00389604

> <SMILES>
COc1cc(cc(c1OC)OC)C[NH3+]

$$$$
C7H6N2S
  MOLSOFT 11061513452D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.2870    2.9229    0.0000 N   0  0  0
    4.6185    3.3555    0.0000 C   0  0  0
    5.4414    2.2229    0.0000 C   0  0  0
    4.6185    1.0903    0.0000 N   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  2
 10  6  2
  9 10  1
M  END
> <Title>
ZINC00389924

> <SMILES>
c1cc(sc1)c2[nH]ccn2

$$$$
C15H15NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00390491

> <SMILES>
CC(=O)Nc1ccccc1OCc2ccccc2

$$$$
C12H12N2O4
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
    0.0000    4.8497    0.0000 O   0  0  0
    0.0000    2.4249    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 N   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 O   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  7  8  2
  9  3  1
  7  9  1
  6  7  1
  6 10  1
 10 11  1
 11 12  2
 11 13  1
  4  5  1
  4 14  1
 16  2  2
 15 16  1
 14 15  2
 14 17  1
 17 18  1
M  END
> <Title>
ZINC00391083

> <SMILES>
Cc1c2c(cc(c(=O)o2)NC(=O)C)c(cn1)CO

$$$$
C7H7NO2
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
M  END
> <Title>
ZINC00391131

> <SMILES>
COC(=O)c1ccncc1

$$$$
C6H14NO
  MOLSOFT 11061513452D

  8  8  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  3  3
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  2
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 O   0  0  0
  2  1  1
  2  3  1
  3  4  1
  4  5  1
  6  2  1
  6  5  1
  6  7  1  6
  7  8  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00391249

> <SMILES>
C[NH+]1CCC[C@@H]1CO

$$$$
C11H15NO3
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.7124    0.8876    0.0000 O   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  3  4  1
  2  3  1
  5  6  1
  2  5  1
  2  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
M  END
> <Title>
ZINC00391472

> <SMILES>
CC(CO)(CO)NC(=O)c1ccccc1

$$$$
C11H14O2
  MOLSOFT 11061513452D

 13 13  0  0  1  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  1
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  1  1  6
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  2  3  1
  2  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
M  END
> <Title>
ZINC00391861

> <SMILES>
C[C@@H](CC(=O)OC)c1ccccc1

$$$$
C9H14NO2
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  8  9  1
  9 10  1
  6  7  1
  6 11  1
 11 12  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00392018

> <SMILES>
COc1ccc(cc1OC)C[NH3+]

$$$$
C14H12NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000   -0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 O   0  5  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  2
 15 17  1
M  CHG  1  17  -1
M  END
> <Title>
ZINC00392253

> <SMILES>
c1ccc(cc1)CNc2ccc(cc2)C(=O)[O-]

$$$$
C8H11N3O2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 11 13  1
M  END
> <Title>
ZINC00392455

> <SMILES>
CCOc1cnc(nc1)NC(=O)C

$$$$
C8H11N3O3
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
M  END
> <Title>
ZINC00392489

> <SMILES>
CCOC(=O)Nc1ncc(cn1)OC

$$$$
C9H9NO2
  MOLSOFT 11061513452D

 12 13  0  0  1  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  1
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  1  1  1
  3  4  2
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
 11  3  1
 10 11  1
  2  3  1
  2 12  1
M  END
> <Title>
ZINC00392545

> <SMILES>
C[C@@H](c1nc2ccccc2o1)O

$$$$
C8H9ClN2O
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
M  END
> <Title>
ZINC00392864

> <SMILES>
CNC(=O)Nc1ccc(cc1)Cl

$$$$
C9H11ClN2O
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
M  END
> <Title>
ZINC00392865

> <SMILES>
CCNC(=O)Nc1ccc(cc1)Cl

$$$$
C10H18N2O4
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
 11  6  1
 10 11  1
  9 10  1
  9 12  1
 12 13  2
 12 14  1
 14 15  1
 15 16  1
M  END
> <Title>
ZINC00393629

> <SMILES>
CCOC(=O)N1CCN(CC1)C(=O)OCC

$$$$
C7H13NO3
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 11  6  1
 10 11  1
M  END
> <Title>
ZINC00393697

> <SMILES>
CCOC(=O)N1CCOCC1

$$$$
C11H16N2O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 O   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2
  8  3  2
  7  8  1
  8  9  1
  5  6  1
  5 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00393736

> <SMILES>
COc1cc(ccc1N)N2CCOCC2

$$$$
C11H17N2
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  3  0
    4.9000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  8  1
 12 13  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00393794

> <SMILES>
c1ccnc(c1)C[NH+]2CCCCC2

$$$$
C10H15N2O
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    4.3306    2.4914    0.0000 C   0  0  0
    5.3710    3.4282    0.0000 C   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  2
  6  1  2
  5  6  1
  4  5  2
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  8  1
 11 12  1
  3  4  1
  3 13  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00393919

> <SMILES>
c1cc(c(nc1)C[NH+]2CCCC2)O

$$$$
C8H15N2
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.6074    1.2614    0.0000 C   0  0  0
    1.9723    1.5729    0.0000 C   0  0  0
    3.0669    0.7000    0.0000 C   0  0  0
    3.0669   -0.7000    0.0000 N   0  3  0
    1.9723   -1.5729    0.0000 C   0  0  0
    0.6074   -1.2614    0.0000 C   0  0  0
    4.3283   -1.3074    0.0000 C   0  0  0
    5.4850   -0.5188    0.0000 C   0  0  0
    6.6417    0.2699    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  1  1
  6  7  1
  5  6  1
  5  8  1
  8  9  1
  9 10  3
M  CHG  1   5   1
M  END
> <Title>
ZINC00393998

> <SMILES>
C1CCC[NH+](CC1)CC#N

$$$$
C10H13Cl2N2O
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 N   0  3  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 13  8  1
 12 13  2
 12 14  1
 11 12  1
 11 15  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00394102

> <SMILES>
C[NH+](C)CC(=O)Nc1ccc(c(c1)Cl)Cl

$$$$
C10H14N2O3S
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -7.0000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.8000   -2.4249    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
   -1.4000   -1.4000    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  7  9  2
  7 10  1
 10 11  2
 11 12  1
 12 13  2
 15 10  1
 14 15  2
 13 14  1
 13 16  1
M  END
> <Title>
ZINC00394103

> <SMILES>
CCNC(=O)NS(=O)(=O)c1ccc(cc1)C

$$$$
C11H16ClN2O
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 N   0  3  0
    2.1000   -6.0622    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 12 14  1
  6  7  1
  6 15  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00394107

> <SMILES>
Cc1cccc(c1NC(=O)C[NH+](C)C)Cl

$$$$
C11H12N2O3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 O   0  0  0
    4.1269    5.1305    0.0000 N   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    3.9008    8.0457    0.0000 C   0  0  0
    4.1919    9.4151    0.0000 C   0  0  0
    5.5842    9.5614    0.0000 C   0  0  0
    6.1536    8.2825    0.0000 O   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00394197

> <SMILES>
c1cc(oc1)CNC(=O)NCc2ccco2

$$$$
C8H6N4
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 N   0  0  0
    6.7406   -1.6834    0.0000 C   0  0  0
    7.9531   -0.9834    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  9  4  1
  8  9  2
  8 10  1
 10 11  1
 11 12  3
M  END
> <Title>
ZINC00394716

> <SMILES>
c1ccc2c(c1)[nH]c(n2)NC#N

$$$$
C11H15N3O3
  MOLSOFT 11061513452D

 17 17  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
   -1.4000   -2.4249    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  1
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 N   0  0  0
   -5.6000   -2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  5  4  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
  5  6  1  6
  5 14  1
 14 15  2
 14 16  1
 16 17  1
M  END
> <Title>
ZINC00394739

> <SMILES>
CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN

$$$$
C11H18N2O
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  1
  3  4  1
  3  7  1
  7  8  2
  8  9  1
  9 10  2
 12  7  1
 11 12  2
 11 13  1
 10 11  1
 10 14  1
M  END
> <Title>
ZINC00394925

> <SMILES>
CCN(CCO)c1ccc(c(c1)C)N

$$$$
C9H18N2O
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  7  1
 11 12  1
M  END
> <Title>
ZINC00395223

> <SMILES>
CCNC(=O)NC1CCCCC1

$$$$
C10H14N2O2
  MOLSOFT 11061513452D

 14 14  0  0  1  0  0  0  0  0999 V2000
   -6.3000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  1
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 O   0  0  0
  2  1  1  1
  3  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
  2  3  1
  2 14  1
M  END
> <Title>
ZINC00395358

> <SMILES>
C[C@@H](CNC(=O)Nc1ccccc1)O

$$$$
C11H15ClN2O2
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 11 13  1
 13 14  1
 14 15  1
  5  6  1
  5 16  1
M  END
> <Title>
ZINC00395364

> <SMILES>
Cc1ccc(cc1NC(=O)N(C)CCO)Cl

$$$$
C11H14ClNO2
  MOLSOFT 11061513452D

 15 15  0  0  1  0  0  0  0  0999 V2000
   -5.6000   -0.0000    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  1
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  3  2  1  6
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
M  END
> <Title>
ZINC00395824

> <SMILES>
CC[C@@H](CO)NC(=O)c1ccccc1Cl

$$$$
C11H15ClN2O2
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.4124   -1.7249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.9876   -3.1249    0.0000 C   0  0  0
   -4.9000   -3.6373    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  4  5  1
  2  4  1
  2  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  END
> <Title>
ZINC00395845

> <SMILES>
CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl

$$$$
C9H17N3O2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 O   0  0  0
    9.1000    3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 12 14  1
M  END
> <Title>
ZINC00395846

> <SMILES>
C1CCC(CC1)NC(=O)NCC(=O)N

$$$$
C9H9O3
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 O   0  5  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
M  CHG  1  12  -1
M  END
> <Title>
ZINC00396091

> <SMILES>
c1ccc(cc1)COCC(=O)[O-]

$$$$
C12H12N2O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  8  9  1
 10  5  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
  7  8  2
  7 15  1
 15 16  1
M  END
> <Title>
ZINC00396589

> <SMILES>
CC(=O)Nc1cc(cc2c1nccc2)OC

$$$$
C7H7BrN2O2
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 Br  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
  3  4  2
  3 12  1
M  END
> <Title>
ZINC00396739

> <SMILES>
c1cc(ccc1NC(=O)NO)Br

$$$$
C12H18N2O
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 13 15  1
M  END
> <Title>
ZINC00396898

> <SMILES>
Cc1cccc(c1)NC(=O)NCC(C)C

$$$$
C14H16N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.3923   -4.9961    0.0000 C   0  0  0
    8.6834   -6.3655    0.0000 C   0  0  0
    7.4710   -7.0655    0.0000 C   0  0  0
    6.4306   -6.1287    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 13  1
 16 17  1
  4  5  1
  4 18  1
M  END
> <Title>
ZINC00397103

> <SMILES>
Cc1cc(cc(c1)NC(=O)NCc2ccco2)C

$$$$
C12H9N2O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 S   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000    0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 O   0  5  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  1
 15 16  2
 15 17  1
M  CHG  1  17  -1
M  END
> <Title>
ZINC00397121

> <SMILES>
c1ccc(cc1)c2cnc(nc2)SCC(=O)[O-]

$$$$
C14H16N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.2229    3.5575    0.0000 C   0  0  0
   10.5544    3.1249    0.0000 C   0  0  0
   10.5544    1.7249    0.0000 C   0  0  0
    9.2229    1.2922    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  7  8  1
  5  6  1
  5  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 14  1
 17 18  1
M  END
> <Title>
ZINC00397173

> <SMILES>
Cc1ccc(cc1C)NC(=O)NCc2ccco2

$$$$
C8H8BrNO2
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Br  0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
M  END
> <Title>
ZINC00397376

> <SMILES>
COC(=O)Nc1ccc(cc1)Br

$$$$
C9H12N4O2
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11  6  1
 10 11  2
 11 12  1
 12 13  2
 12 14  1
 14 15  1
M  END
> <Title>
ZINC00397542

> <SMILES>
CNC(=O)Nc1ccccc1C(=O)NN

$$$$
C13H12FNO
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -8.4870    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
  3  4  2
  3 16  1
M  END
> <Title>
ZINC00397714

> <SMILES>
c1cc(ccc1CNc2ccc(cc2)F)O

$$$$
C13H12ClNO
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -8.4870    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
  3  4  2
  3 16  1
M  END
> <Title>
ZINC00397781

> <SMILES>
c1cc(ccc1CNc2ccc(cc2)Cl)O

$$$$
C14H15NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00397783

> <SMILES>
COc1ccc(cc1)NCc2ccc(cc2)O

$$$$
C14H15N3O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 N   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
  6  7  1
  6 18  1
M  END
> <Title>
ZINC00397984

> <SMILES>
Cc1cccc(c1NC(=O)Nc2cccnc2)C

$$$$
C10H13NO2S
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 S   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 N   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  1
  4  5  2
  4 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
M  END
> <Title>
ZINC00398399

> <SMILES>
Cc1cc(ccc1SC)OC(=O)NC

$$$$
C12H17ClN2O
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -3.8249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -5.6000   -1.0249    0.0000 C   0  0  0
   -7.0000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
M  END
> <Title>
ZINC00399198

> <SMILES>
CC(C)(C)NC(=O)NCc1cccc(c1)Cl

$$$$
C12H15FN2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.1229   -2.5047    0.0000 C   0  0  0
    8.4544   -2.9373    0.0000 C   0  0  0
    8.4544   -4.3373    0.0000 C   0  0  0
    7.1229   -4.7699    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 11  1
 14 15  1
  4  5  1
  4 16  1
M  END
> <Title>
ZINC00399272

> <SMILES>
c1ccc(c(c1)NC(=O)NC2CCCC2)F

$$$$
C7H12N2O2
  MOLSOFT 11061513452D

 11 11  0  0  1  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  1
    0.3903   -2.4641    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 O   0  0  0
    1.3271   -3.5045    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  8  4  1
  8  7  1
  8  9  1  1
  9 10  2
  9 11  1
M  END
> <Title>
ZINC00399355

> <SMILES>
CC(=O)N1CCC[C@H]1C(=O)N

$$$$
C7H12N2O2
  MOLSOFT 11061513452D

 11 11  0  0  1  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  2
    0.3903   -2.4641    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 O   0  0  0
    1.3271   -3.5045    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  8  4  1
  8  7  1
  8  9  1  6
  9 10  2
  9 11  1
M  END
> <Title>
ZINC00399356

> <SMILES>
CC(=O)N1CCC[C@@H]1C(=O)N

$$$$
C13H11FN2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 N   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 C   0  0  0
    0.7000    8.4870    0.0000 C   0  0  0
    2.1000    8.4870    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
   -0.0000    9.6995    0.0000 F   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC00399805

> <SMILES>
c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F

$$$$
C13H19N3O2
  MOLSOFT 11061513452D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    5.7876    3.1249    0.0000 C   0  0  0
    8.2124    1.7249    0.0000 C   0  0  0
    7.7000    3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
 15 16  1
 15 17  1
 15 18  1
M  END
> <Title>
ZINC00400438

> <SMILES>
CC(=O)Nc1ccc(cc1)NC(=O)NC(C)(C)C

$$$$
C13H13NO3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00401165

> <SMILES>
CCOC(=O)Nc1cccc2c1cc(cc2)O

$$$$
C13H19NO2
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    6.3000    2.6124    0.0000 C   0  0  0
    6.3000   -0.1876    0.0000 C   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 13 15  1
 13 16  1
M  END
> <Title>
ZINC00401760

> <SMILES>
CCOc1ccc(cc1)NC(=O)C(C)(C)C

$$$$
C12H18N2OS
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 S   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  4  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
 15 16  1
M  END
> <Title>
ZINC00401984

> <SMILES>
CCCN(C)C(=O)Nc1cccc(c1)SC

$$$$
C12H12N2O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11  6  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
M  END
> <Title>
ZINC00402033

> <SMILES>
CNC(=O)Nc1cccc2c1cccc2O

$$$$
C15H15NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00402149

> <SMILES>
COCC(=O)Nc1ccc(cc1)c2ccccc2

$$$$
C8H10N2O3S
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  2
 11 13  2
 11 14  1
M  END
> <Title>
ZINC00403245

> <SMILES>
CNC(=O)c1ccc(cc1)S(=O)(=O)N

$$$$
C13H17NO3
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    6.4306    3.7038    0.0000 C   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 C   0  0  1
    9.3291    1.5308    0.0000 C   0  0  0
   10.6985    1.8219    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 15 11  1
 15 14  1
 15 16  1  1
 16 17  1
M  END
> <Title>
ZINC00403332

> <SMILES>
c1ccc(cc1)COC(=O)N2CCC[C@H]2CO

$$$$
C8H14NO
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 N   0  3  0
    4.7123    0.4389    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  2  1
  5  6  1
  5  7  1
  7  8  1
  8  9  1
  8 10  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00403435

> <SMILES>
Cc1ccc(o1)C[NH+](C)C

$$$$
C10H10N2O
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 12  3  1
 11 12  2
 11 13  1
M  END
> <Title>
ZINC00403451

> <SMILES>
COc1cc2cccnc2c(c1)N

$$$$
C8H9NO2
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
M  END
> <Title>
ZINC00404269

> <SMILES>
CC(=O)Nc1ccccc1O

$$$$
C10H16N2O
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  1
  3  4  1
  3  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
M  END
> <Title>
ZINC00404661

> <SMILES>
CCN(CCO)c1ccc(cc1)N

$$$$
C7H16NO2
  MOLSOFT 11061513452D

 10 10  0  0  1  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  3  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  2
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 O   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  1  1
  4  5  1
  4  6  1
  7  6  1
  8  9  1
  7  8  1
  7 10  1  1
M  CHG  1   4   1
M  END
> <Title>
ZINC00405112

> <SMILES>
C1CC[NH+](C1)C[C@H](CO)O

$$$$
C10H18O2
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  7  1
 11 12  1
M  END
> <Title>
ZINC00405256

> <SMILES>
COC(=O)CCC1CCCCC1

$$$$
C12H11FN2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 F   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
  1  2  1
  2  3  2
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
  3  4  1
  3 14  1
 14 15  2
 14 16  1
 16 17  1
M  END
> <Title>
ZINC00405332

> <SMILES>
Cc1c(c(no1)c2ccc(cc2)F)C(=O)NC

$$$$
C14H19NO3
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  2
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  1
    8.4000    0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 12 11  1  6
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 17 16  1
 17 18  1  1
M  END
> <Title>
ZINC00405613

> <SMILES>
c1ccc(cc1)OCC(=O)N[C@@H]2CCCC[C@H]2O

$$$$
C13H13NO2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 S   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    0.0000 O   0  0  0
    5.6000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    5.6000    4.8497    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    7.7000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  2
  9 11  2
  9 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC00405618

> <SMILES>
Cc1ccc(cc1)NS(=O)(=O)c2ccccc2

$$$$
C7H11N3O
  MOLSOFT 11061513452D

 11 11  0  0  1  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  1
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  2  1  1  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  2  3  1
  2 11  1
M  END
> <Title>
ZINC00406080

> <SMILES>
C[C@@H](CNc1cnccn1)O

$$$$
C7H11N3O
  MOLSOFT 11061513452D

 11 11  0  0  1  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  2
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  2  1  1  6
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  2  3  1
  2 11  1
M  END
> <Title>
ZINC00406081

> <SMILES>
C[C@H](CNc1cnccn1)O

$$$$
C13H10N4
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
    9.2229    1.1326    0.0000 C   0  0  0
   10.5544    0.7000    0.0000 N   0  0  0
   10.5544   -0.7000    0.0000 N   0  0  0
    9.2229   -1.1326    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  2
 15 16  1
 17 13  1
 16 17  2
M  END
> <Title>
ZINC00406351

> <SMILES>
c1ccc(cc1)c2ccc(cc2)n3cnnn3

$$$$
C13H12N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00406515

> <SMILES>
c1ccc(cc1)NC(=O)Nc2ccc(cc2)O

$$$$
C13H12N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
M  END
> <Title>
ZINC00406516

> <SMILES>
c1ccc(cc1)NC(=O)Nc2ccccc2O

$$$$
C14H13NO3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
M  END
> <Title>
ZINC00406702

> <SMILES>
c1ccc(cc1)OCC(=O)Nc2ccccc2O

$$$$
C11H15ClN2O2
  MOLSOFT 11061513452D

 16 16  0  0  1  0  0  0  0  0999 V2000
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  2
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
  1  2  1
  3  2  1  6
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  END
> <Title>
ZINC00406752

> <SMILES>
CC[C@H](CO)NC(=O)Nc1ccc(cc1)Cl

$$$$
C7H10N2O
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  8  9  1
  6  7  1
  6 10  1
M  END
> <Title>
ZINC00406912

> <SMILES>
COc1ccc(cc1N)N

$$$$
C13H13NO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
M  END
> <Title>
ZINC00406930

> <SMILES>
c1ccc(cc1)COc2ccccc2N

$$$$
C13H11F2NO
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    4.2000   -7.2746    0.0000 F   0  0  0
    7.0000   -7.2746    0.0000 F   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 13 15  1
 12 13  2
 12 16  1
  4  5  1
  4 17  1
M  END
> <Title>
ZINC00407512

> <SMILES>
c1ccc(c(c1)CNc2ccc(c(c2)F)F)O

$$$$
C12H17NO3
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    6.3000    2.6124    0.0000 C   0  0  0
    6.3000   -0.1876    0.0000 C   0  0  0
    7.5124   -0.8876    0.0000 O   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 13 14  1
 11 13  1
 11 15  1
 15 16  1
M  END
> <Title>
ZINC00407567

> <SMILES>
Cc1ccc(cc1)C(=O)NC(C)(CO)CO

$$$$
C12H14N2S
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 S   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870   -1.5229    0.0000 N   0  0  0
    4.5903    2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  6  7  1
  6  9  1
  9 10  2
 11 12  1
 13  9  1
 12 13  2
 12 14  1
 10 11  1
 10 15  1
M  END
> <Title>
ZINC00408210

> <SMILES>
CCc1ccc(cc1)c2c(sc(n2)N)C

$$$$
C14H13NO3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC00408583

> <SMILES>
COc1ccc(cc1)C(=O)Nc2ccc(cc2)O

$$$$
C9H11N3O2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 O   0  0  0
    9.1000    3.6373    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 12 14  1
M  END
> <Title>
ZINC00408614

> <SMILES>
c1ccc(cc1)NC(=O)NCC(=O)N

$$$$
C11H16N2O3
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.4124   -1.7249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.9876   -3.1249    0.0000 C   0  0  0
   -2.9876   -4.5249    0.0000 O   0  0  0
   -4.9000   -3.6373    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  3  4  1
  2  3  1
  5  6  1
  2  5  1
  2  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  END
> <Title>
ZINC00408628

> <SMILES>
CC(CO)(CO)NC(=O)Nc1ccccc1

$$$$
C10H10N2O
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.2674   -2.5439    0.0000 C   0  0  0
    1.4000   -3.3668    0.0000 C   0  0  0
    2.5326   -2.5439    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  2
 13  9  1
 12 13  1
M  END
> <Title>
ZINC00408696

> <SMILES>
CC(=O)Nc1cccc2c1cc[nH]2

$$$$
C11H21NO2
  MOLSOFT 11061513452D

 14 14  0  0  1  0  0  0  0  0999 V2000
   -5.6000   -0.0000    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  2
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  3  2  1  1
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  END
> <Title>
ZINC00409046

> <SMILES>
CC[C@H](CO)NC(=O)C1CCCCC1

$$$$
C13H18N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    8.4000   -2.4249    0.0000 C   0  0  0
    9.1000   -3.6373    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
  4  5  1
  4 17  1
M  END
> <Title>
ZINC00409062

> <SMILES>
c1ccc(c(c1)NC(=O)NC2CCCCC2)O

$$$$
C11H21NO3
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.7124    0.8876    0.0000 O   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  3  4  1
  2  3  1
  5  6  1
  2  5  1
  2  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00409086

> <SMILES>
CC(CO)(CO)NC(=O)C1CCCCC1

$$$$
C6H8N2O2
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  2
  7  8  1
  8  9  1
 10  6  1
  9 10  2
M  END
> <Title>
ZINC00409316

> <SMILES>
CCOC(=O)c1c[nH]nc1

$$$$
C10H7N3OS
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 S   0  0  0
    5.5282   -2.3834    0.0000 N   0  0  0
    6.7406   -1.6834    0.0000 C   0  0  0
    6.7406   -0.2834    0.0000 O   0  0  0
    7.9531   -2.3834    0.0000 C   0  0  0
    9.1655   -1.6834    0.0000 C   0  0  0
   10.3779   -0.9834    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  2
  9  4  1
  8  9  1
  8 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  3
M  END
> <Title>
ZINC00409395

> <SMILES>
c1ccc2c(c1)nc(s2)NC(=O)CC#N

$$$$
C9H20NO
  MOLSOFT 11061513452D

 11 11  0  0  1  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  2
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  3  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  2  1  1  6
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
 10  5  1
  9 10  1
  2  3  1
  2 11  1
M  CHG  1   4   1
M  END
> <Title>
ZINC00409878

> <SMILES>
C[C@H](C[NH2+]C1CCCCC1)O

$$$$
C14H15NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
M  END
> <Title>
ZINC00409927

> <SMILES>
COc1ccc(cc1)NCc2ccccc2O

$$$$
C16H17NO
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
  6  7  1
  6 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00410060

> <SMILES>
CCNC(=O)C(c1ccccc1)c2ccccc2

$$$$
C13H10ClNO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
  3  4  2
  3 17  1
M  END
> <Title>
ZINC00410282

> <SMILES>
c1cc(ccc1C(=O)Nc2ccc(cc2)O)Cl

$$$$
C12H17NO2
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000    1.4000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
M  END
> <Title>
ZINC00410316

> <SMILES>
CC(C)(C)c1ccc(cc1)OC(=O)NC

$$$$
C10H8N4O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 N   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
M  END
> <Title>
ZINC00410823

> <SMILES>
c1ccnc(c1)NC(=O)c2cnccn2

$$$$
C11H9N3O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 N   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
  4  5  1
  4 16  1
M  END
> <Title>
ZINC00412079

> <SMILES>
c1ccc(c(c1)NC(=O)c2cnccn2)O

$$$$
C12H13N5O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.3623   -6.2020    0.0000 C   0  0  0
   -0.9899   -6.5644    0.0000 C   0  0  0
   -1.3523   -5.2121    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.2306    3.7038    0.0000 C   0  0  0
    3.2710    4.6406    0.0000 N   0  0  0
    4.4834    3.9406    0.0000 N   0  0  0
    4.1923    2.5712    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 13 10  1
 12 13  1
  3  4  1
  3 14  1
 14 15  1
 15 16  2
 16 17  1
 18 14  1
 17 18  2
M  END
> <Title>
ZINC00412981

> <SMILES>
c1cc(ccc1NC(=O)C2CCC2)n3cnnn3

$$$$
C13H26N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  8  3  1
  7  8  1
  6  7  1
  6  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  CHG  1   3   1
M  END
> <Title>
ZINC00413840

> <SMILES>
CC[NH+]1CCN(CC1)C(=O)NC2CCCCC2

$$$$
C10H9N3O2S
  MOLSOFT 11061513452D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.2870    2.9229    0.0000 N   0  0  0
    4.6185    3.3555    0.0000 N   0  0  0
    5.4414    2.2229    0.0000 C   0  0  0
    4.6185    1.0903    0.0000 S   0  0  0
    6.8414    2.2229    0.0000 N   0  0  0
    7.5414    3.4353    0.0000 C   0  0  0
    6.8414    4.6478    0.0000 O   0  0  0
    8.9414    3.4353    0.0000 C   0  0  0
   10.1538    4.1353    0.0000 C   0  0  0
   10.1538    2.7353    0.0000 C   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  7  8  1
  8  9  2
 10  6  1
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
 16 14  1
 15 16  1
M  END
> <Title>
ZINC00418028

> <SMILES>
c1cc(oc1)c2nnc(s2)NC(=O)C3CC3

$$$$
C13H13N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00418316

> <SMILES>
CCOc1ccc(cc1)NC(=O)c2cnccn2

$$$$
C13H13N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 N   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00418341

> <SMILES>
COc1ccc(cc1)CNC(=O)c2cnccn2

$$$$
C12H12N2O2S
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 S   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 N   0  0  0
    6.7406   -1.6834    0.0000 C   0  0  0
    6.7406   -0.2834    0.0000 O   0  0  0
    7.9531   -2.3834    0.0000 C   0  0  0
    9.3531   -2.3834    0.0000 C   0  0  0
    8.6531   -3.5958    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  1
 11  6  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 13 15  1
 15 16  1
 17 15  1
 16 17  1
M  END
> <Title>
ZINC00419826

> <SMILES>
COc1ccc2c(c1)sc(n2)NC(=O)C3CC3

$$$$
C15H11N3
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.2098    0.6457    0.0000 C   0  0  0
    4.9187    2.0151    0.0000 C   0  0  0
    3.5873    2.4477    0.0000 C   0  0  0
    3.2962    3.8171    0.0000 C   0  0  0
    4.3366    4.7539    0.0000 C   0  0  0
    5.6681    4.3213    0.0000 C   0  0  0
    5.9591    2.9519    0.0000 C   0  0  0
    4.0455    6.1233    0.0000 C   0  0  0
    3.7544    7.4927    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  2
  9  4  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 17 18  3
M  END
> <Title>
ZINC00419911

> <SMILES>
c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N

$$$$
C11H17N3
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.1114    2.3692    0.0000 C   0  0  0
    4.5240    3.7070    0.0000 C   0  0  0
    5.8272    4.2184    0.0000 C   0  0  0
    7.0397    3.5184    0.0000 C   0  0  0
    7.2483    2.1341    0.0000 C   0  0  0
    6.2961    1.1078    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  8  1
 13 14  1
M  END
> <Title>
ZINC00433032

> <SMILES>
c1cnc(nc1)NC2CCCCCC2

$$$$
C13H17N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00433682

> <SMILES>
c1cnc(cn1)C(=O)NCCC2=CCCCC2

$$$$
C13H18N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00438357

> <SMILES>
c1ccc(cc1)CCC(=O)NN2CCOCC2

$$$$
C14H11F2NO
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    2.8000   -9.6995    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
  3  4  2
  3 18  1
M  END
> <Title>
ZINC00439367

> <SMILES>
c1cc(ccc1CC(=O)Nc2ccc(cc2)F)F

$$$$
C13H16N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.2306    6.1287    0.0000 C   0  0  0
    3.2710    7.0655    0.0000 C   0  0  0
    4.4834    6.3655    0.0000 C   0  0  0
    4.1923    4.9961    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  3  4  1
  3 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  1
 17 13  1
 16 17  1
M  END
> <Title>
ZINC00442231

> <SMILES>
c1cc(ccc1C(=O)N)NC(=O)C2CCCC2

$$$$
C12H16ClNO2
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  2
  9 10  1
 11 12  1
 13  8  1
 12 13  2
 13 14  1
 14 15  1
 10 11  2
 10 16  1
M  END
> <Title>
ZINC00442484

> <SMILES>
CC(C)CNC(=O)c1cc(ccc1OC)Cl

$$$$
C14H19NOS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00443691

> <SMILES>
c1ccc(cc1)SCC(=O)NC2CCCCC2

$$$$
C14H19NO3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 O   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  6  8  1
  5  6  1
  5  9  1
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00444937

> <SMILES>
Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2

$$$$
C13H15N3O
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 N   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 O   0  0  0
   -1.3923   -2.5712    0.0000 N   0  0  0
   -0.3246   -6.0329    0.0000 C   0  0  0
    0.9543   -6.6024    0.0000 C   0  0  0
    1.1007   -7.9947    0.0000 C   0  0  0
   -0.0320   -8.8176    0.0000 C   0  0  0
   -1.3109   -8.2482    0.0000 C   0  0  0
   -1.4573   -6.8558    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
 11  7  2
 10 11  1
  9 10  1
  9 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00445989

> <SMILES>
c1cnccc1c2nc(on2)C3CCCCC3

$$$$
C15H22N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00447355

> <SMILES>
CC(C)C(=O)Nc1ccc(cc1)N2CCCCC2

$$$$
C10H11N3OS
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.1923   -2.5712    0.0000 N   0  0  0
    4.4834   -3.9406    0.0000 N   0  0  0
    3.2710   -4.6406    0.0000 C   0  0  0
    2.2306   -3.7038    0.0000 S   0  0  0
    3.1246   -6.0329    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  8 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
 13 15  1
M  END
> <Title>
ZINC00449195

> <SMILES>
CCOc1cccc(c1)c2nnc(s2)N

$$$$
C14H21N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 N   0  3  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    6.0622    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  1
 17 12  1
 16 17  1
 15 16  1
 15 18  1
M  CHG  1  15   1
M  END
> <Title>
ZINC00451301

> <SMILES>
Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C

$$$$
C14H16N2O
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 N   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    9.0965   -4.2451    0.0000 C   0  0  0
    8.9501   -5.6374    0.0000 O   0  0  0
    7.6712   -6.2068    0.0000 C   0  0  0
    6.5385   -5.3839    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  1  2
  4  5  1
  4  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00452948

> <SMILES>
c1ccn(c1)c2ccc(cc2)N3CCOCC3

$$$$
C13H11N3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000   -0.0000    0.0000 N   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    7.7000    6.0622    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 13  8  1
 12 13  2
 13 14  1
 11 12  1
 11 15  1
 15 16  3
M  END
> <Title>
ZINC00453563

> <SMILES>
c1ccc(cc1)Nc2ccc(cc2N)C#N

$$$$
C15H17NO
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 17  8  2
 16 17  1
M  END
> <Title>
ZINC00455317

> <SMILES>
CC(C)CNC(=O)c1ccc2ccccc2c1

$$$$
C10H12N2O3
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.6000    2.4249    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 O   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 12 13  1
 13 14  2
 13 15  1
M  END
> <Title>
ZINC00458549

> <SMILES>
COCC(=O)Nc1ccccc1C(=O)N

$$$$
C10H14N2O3S
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  2
  8  9  2
 10  6  1
  9 10  1
  9 11  1
 11 12  1
 11 13  1
 13 14  2
 13 15  1
  7  8  1
  7 16  1
M  END
> <Title>
ZINC00458805

> <SMILES>
CCOC(=O)c1c(nc(s1)N(C)C(=O)C)C

$$$$
C13H14N2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 16  7  2
 15 16  1
M  END
> <Title>
ZINC00459160

> <SMILES>
CC(C)NC(=O)c1ccc2ccccc2n1

$$$$
C13H23NO2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 O   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00460647

> <SMILES>
C1CCC(CC1)CCC(=O)N2CCOCC2

$$$$
C11H12N4O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 N   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 N   0  0  0
    7.1229    0.0798    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  7  8  1
  5  6  1
  5  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 16 12  2
 15 16  1
M  END
> <Title>
ZINC00460907

> <SMILES>
Cc1ccc(cc1C)C(=O)Nc2nc[nH]n2

$$$$
C14H20N2O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.3923   -4.9961    0.0000 C   0  0  0
    8.6834   -6.3655    0.0000 C   0  0  0
    7.4710   -7.0655    0.0000 C   0  0  0
    6.4306   -6.1287    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 13  1
 16 17  1
M  END
> <Title>
ZINC00461247

> <SMILES>
Cc1cccc(n1)NC(=O)CCC2CCCC2

$$$$
C15H19NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 O   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    8.0725    1.5250    0.0000 C   0  0  0
    8.0725    3.3248    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  6  8  1
  5  6  1
  5  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 12 14  1
 14 15  1
 16 10  1
 15 16  1
 15 17  1
 15 18  1
M  END
> <Title>
ZINC00463042

> <SMILES>
Cc1ccc(c(c1)O)NC2=CC(=O)CC(C2)(C)C

$$$$
C12H12N2OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.4306    3.7038    0.0000 N   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00465399

> <SMILES>
Cc1ccc(cc1)CC(=O)Nc2nccs2

$$$$
C13H12N2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  2
 14 16  1
M  END
> <Title>
ZINC00466600

> <SMILES>
c1ccc(cc1)c2ccc(cc2)NC(=O)N

$$$$
C10H14ClN3O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 O   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    7.0301   -1.3437    0.0000 C   0  0  0
    7.8530   -2.4764    0.0000 C   0  0  0
    7.0301   -3.6090    0.0000 C   0  0  0
    5.6986   -3.1764    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  6  2  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14 10  1
 13 14  1
  4  5  1
  4 15  1
M  END
> <Title>
ZINC00467615

> <SMILES>
Cn1cc(c(n1)C(=O)NC2CCCC2)Cl

$$$$
C10H11N3O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    5.5282   -2.3834    0.0000 O   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 10 12  1
 12 13  1
 13 14  2
 15  9  1
 13 15  1
M  END
> <Title>
ZINC00467648

> <SMILES>
CCC(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2

$$$$
C13H13N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 N   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 O   0  0  0
   -2.9624   -4.5100    0.0000 N   0  0  0
   -4.0950   -3.6871    0.0000 C   0  0  0
   -3.1087   -5.9024    0.0000 C   0  0  0
   -0.3246   -6.0329    0.0000 C   0  0  0
   -0.1783   -7.4253    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 12  8  1
 11 12  1
 11 13  1
 13 14  1
 13 15  1
 10 11  2
 10 16  1
 16 17  3
M  END
> <Title>
ZINC00468532

> <SMILES>
Cc1ccccc1c2nc(c(o2)N(C)C)C#N

$$$$
C11H15N5
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 N   0  0  0
    8.4544    0.5124    0.0000 N   0  0  0
    7.1229    0.0798    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 16 12  1
 15 16  2
M  END
> <Title>
ZINC00468583

> <SMILES>
CN(C)c1ccc(cc1)CNn2cnnc2

$$$$
C11H14N2O3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 O   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
  3  4  1
  3 16  1
M  END
> <Title>
ZINC00469224

> <SMILES>
c1cc(ccc1NC(=O)N2CCOCC2)O

$$$$
C11H21N3O2
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  2
 14 16  1
M  END
> <Title>
ZINC00471031

> <SMILES>
CC(C)(C)NC(=O)N1CCC(CC1)C(=O)N

$$$$
C13H16N4O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    5.7917    1.4000    0.0000 N   0  0  0
    5.7917    2.8000    0.0000 C   0  0  0
    4.5792    3.5000    0.0000 O   0  0  0
    7.0041    3.5000    0.0000 N   0  0  0
    7.0041    4.9000    0.0000 C   0  0  0
    6.3041    6.1124    0.0000 C   0  0  0
    7.7041    6.1124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  1
  5  6  2
  7  8  2
  9  4  2
  8  9  1
 10  2  1
  9 10  1
 10 11  1
  6  7  1
  6 12  1
 12 13  1
 13 14  2
 13 15  1
 15 16  1
 16 17  1
 18 16  1
 17 18  1
M  END
> <Title>
ZINC00471144

> <SMILES>
Cc1nc2cc(ccc2n1C)NC(=O)NC3CC3

$$$$
C14H13FN2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
   12.6000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC00474223

> <SMILES>
c1ccc(cc1)NC(=O)NCc2ccc(cc2)F

$$$$
C12H15ClN2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 Cl  0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  9  4  1
  8  9  1
  7  8  1
  7 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  END
> <Title>
ZINC00474708

> <SMILES>
CC(=O)N1CCN(CC1)c2ccc(cc2)Cl

$$$$
C12H18N2OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    9.4417   -1.5972    0.0000 C   0  0  0
   10.2646   -2.7298    0.0000 C   0  0  0
    9.4417   -3.8625    0.0000 C   0  0  0
    8.1102   -3.4298    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  2  1
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00475038

> <SMILES>
Cc1cnc(s1)NC(=O)CCC2CCCC2

$$$$
C10H12N2O4
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 O   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 10 12  1
 12 13  1
 13 14  2
 13 15  1
 15 16  1
M  END
> <Title>
ZINC00476364

> <SMILES>
COC(=O)Nc1cccc(c1)NC(=O)OC

$$$$
C12H21NO2
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.6074    1.2614    0.0000 C   0  0  0
    1.9723    1.5729    0.0000 C   0  0  0
    3.0669    0.7000    0.0000 C   0  0  0
    3.0669   -0.7000    0.0000 C   0  0  0
    1.9723   -1.5729    0.0000 C   0  0  0
    0.6074   -1.2614    0.0000 C   0  0  0
    4.3283   -1.3074    0.0000 N   0  0  0
    5.4850   -0.5188    0.0000 C   0  0  0
    5.3804    0.8773    0.0000 O   0  0  0
    6.7463   -1.1262    0.0000 C   0  0  1
    7.9792   -0.4628    0.0000 C   0  0  0
    8.9911   -1.4303    0.0000 C   0  0  0
    8.3837   -2.6917    0.0000 C   0  0  0
    6.9963   -2.5037    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  1  1
  6  7  1
  5  6  1
  5  8  1
  8  9  1
  9 10  2
 11  9  1  1
 11 12  1
 12 13  1
 13 14  1
 11 15  1
 14 15  1
M  END
> <Title>
ZINC00476365

> <SMILES>
C1CCCC(CC1)NC(=O)[C@H]2CCCO2

$$$$
C13H17NO3
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  2
    6.4306    3.7038    0.0000 C   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  2
 13 11  1  6
 13 14  1
 14 15  1
 15 16  1
 13 17  1
 16 17  1
M  END
> <Title>
ZINC00476532

> <SMILES>
COc1ccc(cc1)CNC(=O)[C@@H]2CCCO2

$$$$
C14H17NO3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
 15 16  1
 16 17  1
 18 14  1
 17 18  1
M  END
> <Title>
ZINC00476615

> <SMILES>
COC(=O)c1ccc(cc1)NC(=O)C2CCCC2

$$$$
C15H16N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00476743

> <SMILES>
CC(C)c1ccc(cc1)C(=O)Nc2ccccn2

$$$$
C15H22NO2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  3  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    9.9229    2.3451    0.0000 O   0  0  0
   11.2544    1.9124    0.0000 C   0  0  0
   11.2544    0.5124    0.0000 C   0  0  0
    9.9229    0.0798    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 14  9  1
 13 14  1
 12 13  1
 12 15  1
 15 16  1
 16 17  1
 18 12  1
 17 18  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00477415

> <SMILES>
c1ccc(cc1)CC[NH+]2CCC3(CC2)OCCO3

$$$$
C11H10N2O3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 O   0  0  0
    6.3000   -1.2124    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  2
 10 11  1
 11 12  1
 12 13  2
 12 14  1
 15  9  1
 14 15  1
 15 16  2
M  END
> <Title>
ZINC00481010

> <SMILES>
COc1ccc(cc1)c2c[nH]c(=O)[nH]c2=O

$$$$
C13H11ClN2O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  4  5  1
  4 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00481300

> <SMILES>
c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl

$$$$
C13H11ClN2O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  4  5  1
  4 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
M  END
> <Title>
ZINC00481303

> <SMILES>
c1ccc(c(c1)C(=O)N)Nc2cccc(c2)Cl

$$$$
C6H5BrN2O2
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Br  0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
   -1.4000    2.4249    0.0000 O   0  0  0
   -2.1000    3.6373    0.0000 N   0  0  0
  1  2  2
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  2  3  1
  2  8  1
  8  9  2
  8 10  1
 10 11  1
M  END
> <Title>
ZINC00481335

> <SMILES>
c1c(cncc1Br)C(=O)ON

$$$$
C12H9ClO3
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    3.6879    9.3075    0.0000 Cl  0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  END
> <Title>
ZINC00482440

> <SMILES>
c1cc(oc1)C(=O)OCc2ccc(cc2)Cl

$$$$
C13H20N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.5248    7.5992    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC00483065

> <SMILES>
Cc1cc(no1)NC(=O)CCC2CCCCC2

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.4306    3.7038    0.0000 N   0  0  0
    7.4710    4.6406    0.0000 N   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 13  1
 16 17  1
M  END
> <Title>
ZINC00483632

> <SMILES>
COc1ccc(cc1)CC(=O)Nc2nncs2

$$$$
C15H21NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC00486827

> <SMILES>
CCc1ccc(cc1)OCC(=O)N2CCCCC2

$$$$
C12H15NO2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    6.4306    3.7038    0.0000 C   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 15 11  1
 14 15  1
M  END
> <Title>
ZINC00493235

> <SMILES>
c1ccc(cc1)OCC(=O)N2CCCC2

$$$$
C5H10N4O
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  5  6  1
  6  7  1
  7  8  1
  8  9  2
 10  4  1
  8 10  1
M  END
> <Title>
ZINC00500123

> <SMILES>
CN(C)c1cn[nH]c(=O)n1

$$$$
C10H8N2O2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 O   0  0  0
    7.0000   -0.0000    0.0000 N   0  0  0
    8.4000   -0.0000    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  8  9  1
 10  4  1
  9 10  2
  9 11  1
 11 12  2
 11 13  1
 13 14  1
M  END
> <Title>
ZINC00500969

> <SMILES>
c1ccc2c(c1)ccc(n2)C(=O)NO

$$$$
C13H12NO2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    6.5385   -5.3839    0.0000 C   0  0  0
    5.2596   -5.9534    0.0000 O   0  0  0
    7.6712   -6.2068    0.0000 O   0  5  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  2  1
  5  6  1
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
 15 16  2
 15 17  1
M  CHG  1  17  -1
M  END
> <Title>
ZINC00502908

> <SMILES>
Cc1ccc(s1)CNc2cccc(c2)C(=O)[O-]

$$$$
C11H11N3O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 N   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  1
 13 14  2
 13 15  1
 16 10  1
 15 16  1
 16 17  2
M  END
> <Title>
ZINC00506811

> <SMILES>
COc1ccc(cc1)Nc2c[nH]c(=O)[nH]c2=O

$$$$
C10H8ClN3O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 N   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 14  8  1
 13 14  1
 14 15  2
  3  4  1
  3 16  1
M  END
> <Title>
ZINC00507521

> <SMILES>
c1cc(ccc1Nc2c[nH]c(=O)[nH]c2=O)Cl

$$$$
C11H8N2O
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 O   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870    1.5229    0.0000 C   0  0  0
    8.6196    2.3458    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  2
 12  8  2
 11 12  1
 10 11  1
 10 13  1
 13 14  3
M  END
> <Title>
ZINC00508149

> <SMILES>
Cc1ccc(cc1)c2cc(on2)C#N

$$$$
C13H11N3O2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 C   0  0  0
    6.7406   -1.6834    0.0000 N   0  0  0
    7.9531   -2.3834    0.0000 C   0  0  0
    7.9531   -3.7834    0.0000 O   0  0  0
    9.1655   -1.6834    0.0000 C   0  0  0
    9.3118   -0.2911    0.0000 C   0  0  0
   10.6812   -0.0000    0.0000 C   0  0  0
   11.3812   -1.2124    0.0000 C   0  0  0
   10.4445   -2.2528    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  9  4  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  2
 15 16  1
 16 17  2
 18 14  1
 17 18  1
M  END
> <Title>
ZINC00508336

> <SMILES>
c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3

$$$$
C14H16N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.4124   -1.7249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.9876   -3.1249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -4.9000   -3.6373    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 17  8  2
 16 17  1
  2  4  1
  2 18  1
M  END
> <Title>
ZINC00509816

> <SMILES>
CC(C)(C(=O)NNc1ccc2ccccc2c1)O

$$$$
C12H11N3O
  MOLSOFT 11061513452D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 N   0  0  0
    6.7406   -1.6834    0.0000 C   0  0  0
    7.9531   -2.3834    0.0000 C   0  0  0
    9.2320   -1.8140    0.0000 C   0  0  0
   10.1688   -2.8544    0.0000 C   0  0  0
    9.4688   -4.0668    0.0000 C   0  0  0
    8.0994   -3.7757    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  9  4  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00513005

> <SMILES>
c1ccc2c(c1)[nH]c(n2)NCc3ccco3

$$$$
C15H15N3
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.4306    3.7038    0.0000 N   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    7.4710    6.0406    0.0000 C   0  0  0
    8.6834    6.7406    0.0000 C   0  0  0
    9.8958    6.0406    0.0000 C   0  0  0
    9.8958    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 18 10  2
 17 18  1
M  END
> <Title>
ZINC00513006

> <SMILES>
c1ccc(cc1)CCNc2[nH]c3ccccc3n2

$$$$
C10H14N2O3S
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  5  6  1
  5  8  1
  8  9  2
  8 10  2
  8 11  1
 11 12  1
 11 13  1
 13 14  1
 14 15  2
 14 16  1
M  END
> <Title>
ZINC00514435

> <SMILES>
Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N

$$$$
C14H22N3O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  3  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  1
 13 14  1
 14 15  1
 17 12  1
 16 17  1
 15 16  1
 15 18  1
M  CHG  1  15   1
M  END
> <Title>
ZINC00515008

> <SMILES>
CCC(=O)Nc1ccc(cc1)N2CC[NH+](CC2)C

$$$$
C13H20N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  3  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  1
 13 14  1
 16 11  1
 15 16  1
 14 15  1
 14 17  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00515009

> <SMILES>
CC(=O)Nc1ccc(cc1)N2CC[NH+](CC2)C

$$$$
C12H16N3O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    2.7457   -3.6222    0.0000 C   0  0  0
    3.7861   -4.5590    0.0000 C   0  0  0
    3.4950   -5.9284    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 10 12  1
 14  9  1
 13 14  1
 12 13  2
 12 15  1
 15 16  1
 16 17  1
M  CHG  1  17   1
M  END
> <Title>
ZINC00517985

> <SMILES>
CNC(=O)Oc1ccc2c(c1)c(c[nH]2)CC[NH3+]

$$$$
C13H17N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 C   0  0  0
    4.5263   -1.2042    0.0000 C   0  0  0
    5.5667   -2.1409    0.0000 O   0  0  0
    4.8173    0.1652    0.0000 O   0  0  0
    6.1488    0.5979    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  9  5  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 12 13  2
 13 14  1
 14 15  2
 14 16  1
 16 17  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00518944

> <SMILES>
C[NH+](C)Cc1c[nH]c2c1cccc2C(=O)OC

$$$$
C13H17N3O
  MOLSOFT 11061513452D

 17 19  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    2.5326    2.5439    0.0000 C   0  0  0
    1.4000    3.3668    0.0000 C   0  0  2
    0.2674    2.5439    0.0000 C   0  0  1
    1.5463    1.9745    0.0000 C   0  0  0
    1.2076    0.6161    0.0000 C   0  0  0
    2.9429    1.8768    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
  4  5  1
  4 12  1
 13 12  1  1
 14  3  1  1
 13 14  1
 13 15  1
 14 15  1
 15 16  1
 15 17  1
M  END
> <Title>
ZINC00519374

> <SMILES>
Cc1c2c(nc(n1)NC(=O)C)C[C@@H]3[C@H]2C3(C)C

$$$$
C14H22O3
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
    0.4797   -1.3152    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  1
    0.8026    1.1686    0.0000 C   0  0  0
    0.0945    2.2402    0.0000 C   0  0  0
   -1.1545    2.1117    0.0000 C   0  0  2
   -2.7036    2.3433    0.0000 C   0  0  0
   -3.4477    1.1575    0.0000 O   0  0  0
   -2.5827   -0.0199    0.0000 C   0  0  0
   -1.1538    0.3187    0.0000 C   0  0  1
   -0.6496    1.0544    0.0000 C   0  0  1
   -2.0454    1.1630    0.0000 C   0  0  0
   -1.1796   -1.0811    0.0000 C   0  0  0
    0.0198   -1.8033    0.0000 O   0  0  0
   -0.0060   -3.2030    0.0000 C   0  0  0
   -1.2311   -3.8806    0.0000 O   0  0  0
    1.1933   -3.9252    0.0000 C   0  0  0
    0.6936    3.5056    0.0000 C   0  0  0
  2  1  1  6
  2  3  1
  3  4  2
  5  6  1
  6  7  1
  7  8  1
  9  2  1
  9  8  1
 10  5  1
 10 11  1  6
  9 10  1
  9 12  1  6
 12 13  1
 13 14  1
 14 15  2
 14 16  1
  5  4  1  1
  4 17  1
M  END
> <Title>
ZINC00519500

> <SMILES>
C[C@H]1C=C([C@@H]2COC[C@]1([C@H]2C)COC(=O)C)C

$$$$
C14H26NO2
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
    1.1250    0.8333    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
   -0.1060   -2.3885    0.0000 C   0  0  1
   -1.3144   -2.9962    0.0000 C   0  0  0
   -0.7491   -1.9645    0.0000 C   0  0  0
    0.2473   -1.2649    0.0000 C   0  0  2
    1.4840   -1.9928    0.0000 C   0  0  1
    1.0247   -2.9609    0.0000 C   0  0  0
    2.8223   -1.5819    0.0000 O   0  0  0
    3.1356   -0.2174    0.0000 C   0  0  0
    2.1106    0.7362    0.0000 O   0  0  0
    4.4739    0.1936    0.0000 C   0  0  0
    4.7872    1.5581    0.0000 N   0  3  0
    3.7622    2.5116    0.0000 C   0  0  0
    6.1256    1.9690    0.0000 C   0  0  0
    1.3900   -0.4561    0.0000 C   0  0  0
   -1.2360    0.6574    0.0000 C   0  0  0
  1  2  1
  3  4  1  6
  4  5  1
  6  2  1
  6  5  1
  3  8  1
  7  8  1
  7  9  1  6
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 13 15  1
  6  7  1
  6 16  1  6
  3  2  1
  2 17  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00519780

> <SMILES>
CC1([C@H]2CC[C@@]1([C@@H](C2)OC(=O)C[NH+](C)C)C)C

$$$$
C14H13NO3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   12.6000    2.4249    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 15 17  1
 18 12  2
 17 18  1
M  END
> <Title>
ZINC00521701

> <SMILES>
c1ccc(cc1)CCNC(=O)c2ccc(=O)oc2

$$$$
C14H19N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 N   0  3  0
    6.4306    3.7038    0.0000 C   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 14  1
 17 18  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00521778

> <SMILES>
CC(=O)c1ccc(cc1)NC(=O)C[NH+]2CCCC2

$$$$
C15H21NO2
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -1.0725    0.8999    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  2
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 C   0  0  0
    0.7000    8.4870    0.0000 C   0  0  0
    2.1000    8.4870    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
   -1.0725   -0.8999    0.0000 C   0  0  0
  1  2  1
  4  3  1
  5  6  1
  7  2  1
  6  7  1
  4  5  1
  4  8  1  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
  2  3  1
  2 18  1
M  END
> <Title>
ZINC00521977

> <SMILES>
CC1(C[C@H](CCO1)C(=O)NCc2ccccc2)C

$$$$
C15H21NO2
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -1.0725    0.8999    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  1
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 C   0  0  0
    0.7000    8.4870    0.0000 C   0  0  0
    2.1000    8.4870    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
   -1.0725   -0.8999    0.0000 C   0  0  0
  1  2  1
  4  3  1
  5  6  1
  7  2  1
  6  7  1
  4  5  1
  4  8  1  6
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
  2  3  1
  2 18  1
M  END
> <Title>
ZINC00521978

> <SMILES>
CC1(C[C@@H](CCO1)C(=O)NCc2ccccc2)C

$$$$
C15H18N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
M  END
> <Title>
ZINC00525668

> <SMILES>
CN(C)c1ccc(cc1)NCc2ccccc2O

$$$$
C6H11N5O
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 11  7  2
 10 11  1
 10 12  1
M  END
> <Title>
ZINC00526080

> <SMILES>
CC(C)C(=O)Nc1nnn(n1)C

$$$$
C9H8ClN5O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  6  2  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  END
> <Title>
ZINC00526336

> <SMILES>
Cn1nc(nn1)NC(=O)c2ccc(cc2)Cl

$$$$
C12H16FN2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 N   0  3  0
    2.0923   -6.2085    0.0000 C   0  0  0
    2.3834   -7.5779    0.0000 C   0  0  0
    1.1710   -8.2779    0.0000 C   0  0  0
    0.1306   -7.3411    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 11  1
 14 15  1
  3  4  2
  3 16  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00527883

> <SMILES>
c1cc(ccc1NC(=O)C[NH+]2CCCC2)F

$$$$
C8H8F3N3O
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    1.2124   -7.9746    0.0000 F   0  0  0
   -1.2124   -6.5746    0.0000 F   0  0  0
   -0.7000   -8.4870    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 12 14  1
 12 15  1
M  END
> <Title>
ZINC00528226

> <SMILES>
c1cnccc1NC(=O)NCC(F)(F)F

$$$$
C14H13FN2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 N   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
  4  5  1
  4 18  1
M  END
> <Title>
ZINC00529238

> <SMILES>
c1ccc(c(c1)C(=O)NCCc2ccncc2)F

$$$$
C14H14N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    7.0000   -2.4249    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
 15 16  2
 15 17  1
 17 18  1
M  END
> <Title>
ZINC00529455

> <SMILES>
c1ccc(cc1)COc2ccccc2C(=O)NN

$$$$
C11H9N5O2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.2733    5.1381    0.0000 C   0  0  0
    5.6048    5.5708    0.0000 C   0  0  0
    6.1742    6.8497    0.0000 C   0  0  0
    7.5665    6.9961    0.0000 C   0  0  0
    8.3894    5.8634    0.0000 C   0  0  0
    7.8200    4.5845    0.0000 C   0  0  0
    6.4277    4.4381    0.0000 C   0  0  0
    5.6048    3.3055    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  6  2  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  2
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 18 10  1
 17 18  1
M  END
> <Title>
ZINC00530318

> <SMILES>
Cn1nc(nn1)NC(=O)c2cc3ccccc3o2

$$$$
C14H21N3O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
 11  6  1
 10 11  1
  9 10  1
  9 12  1
 12 13  2
 13 14  1
 14 15  2
 17 12  1
 16 17  2
 15 16  1
 15 18  1
M  END
> <Title>
ZINC00530912

> <SMILES>
CC(C)C(=O)N1CCN(CC1)c2ccc(cc2)N

$$$$
C8H7N3OS
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 N   0  0  0
   -0.4710   -4.6406    0.0000 N   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 S   0  0  0
   -2.9624   -4.5100    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
  3  4  2
  3 13  1
M  END
> <Title>
ZINC00530971

> <SMILES>
c1cc(ccc1c2nnc(s2)N)O

$$$$
C9H8FN5O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  6  2  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
M  END
> <Title>
ZINC00531054

> <SMILES>
Cn1nc(nn1)NC(=O)c2ccc(cc2)F

$$$$
C11H13N3OS
  MOLSOFT 11061513452D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
    4.1694    0.2911    0.0000 S   0  0  0
    4.3157    1.6834    0.0000 C   0  0  0
    3.0368    2.2528    0.0000 N   0  0  0
    5.5282    2.3834    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  7  1
 11 12  1
  4  5  1
  4 13  1
 13 14  1
 15  3  1
 14 15  2
 14 16  1
M  END
> <Title>
ZINC00531558

> <SMILES>
c1cc2c(cc1N3CCOCC3)sc(n2)N

$$$$
C12H17ClN2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 Cl  0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  9 10  1
 10 11  2
 13  8  1
 12 13  2
 13 14  1
 11 12  1
 11 15  1
M  END
> <Title>
ZINC00532170

> <SMILES>
CC1CCN(CC1)c2ccc(cc2Cl)N

$$$$
C12H13N3O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 N   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    9.1000    3.6373    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  1
 13 14  2
 13 15  1
 16 10  1
 15 16  1
 16 17  2
M  END
> <Title>
ZINC00536699

> <SMILES>
c1ccc(cc1)CCNc2c[nH]c(=O)[nH]c2=O

$$$$
C14H21N3O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
 11  6  1
 10 11  1
  9 10  1
  9 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
M  END
> <Title>
ZINC00539106

> <SMILES>
CC(C)C(=O)N1CCN(CC1)c2ccccc2N

$$$$
C9H16N2O4
  MOLSOFT 11061513452D

 15 15  0  0  1  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  1
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  1  1  6
  3  4  2
  3  5  1
  5  6  1
  2  3  1
  2  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00541010

> <SMILES>
C[C@@H](C(=O)OC)NC(=O)N1CCOCC1

$$$$
C10H17N3O4
  MOLSOFT 11061513452D

 17 17  0  0  1  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  1
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 12  6  1
 12 10  1
 12 13  1  1
 13 14  1
 14 15  2
 14 16  1
 16 17  1
M  END
> <Title>
ZINC00542893

> <SMILES>
CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC

$$$$
C10H9N3O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.6185   -1.0903    0.0000 C   0  0  0
    5.4414   -2.2229    0.0000 C   0  0  0
    4.6185   -3.3555    0.0000 C   0  0  0
    3.2870   -2.9229    0.0000 O   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.0423    3.7956    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  6  7  2
  8  4  1
  7  8  1
  7  9  1
  9 10  2
 10 11  1
 11 12  2
 13  9  1
 12 13  1
  5  6  1
  5 14  1
 14 15  3
M  END
> <Title>
ZINC00544945

> <SMILES>
CN(C)c1c(nc(o1)c2ccco2)C#N

$$$$
C9H14N2O4
  MOLSOFT 11061513452D

 15 15  0  0  1  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  2
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
 10  4  1
 10  8  1
 10 11  1  6
 11 12  1
 12 13  2
 12 14  1
 14 15  1
M  END
> <Title>
ZINC00545533

> <SMILES>
CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC

$$$$
C12H15N3O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 16  8  2
 15 16  1
M  END
> <Title>
ZINC00549915

> <SMILES>
CC(C)C(=O)NCc1[nH]c2ccccc2n1

$$$$
C10H11NO4
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 O   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
 11 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00550489

> <SMILES>
COC(=O)NCc1ccc2c(c1)OCO2

$$$$
C9H13N3O2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 N   0  0  0
  1  2  1
  2  3  1
  4  5  1
  6  1  1
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  3  4  1
  3 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  3
M  END
> <Title>
ZINC00555297

> <SMILES>
C1CN(CCC1C(=O)N)C(=O)CC#N

$$$$
C7H13N5O
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 11  7  2
 10 11  1
 10 12  1
 12 13  1
M  END
> <Title>
ZINC00557550

> <SMILES>
CCCC(=O)Nc1nnn(n1)CC

$$$$
C12H15N5O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 N   0  0  0
    8.4544    1.9124    0.0000 N   0  0  0
    8.4544    0.5124    0.0000 N   0  0  0
    7.1229    0.0798    0.0000 N   0  0  0
    9.5870   -0.3105    0.0000 C   0  0  0
   10.8660    0.2590    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 16 12  2
 15 16  1
 15 17  1
 17 18  1
M  END
> <Title>
ZINC00557675

> <SMILES>
CCc1ccc(cc1)C(=O)Nc2nnn(n2)CC

$$$$
C11H13N5O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.2923   -3.7836    0.0000 N   0  0  0
    6.5834   -5.1531    0.0000 N   0  0  0
    5.3710   -5.8531    0.0000 N   0  0  0
    4.3306   -4.9163    0.0000 N   0  0  0
    5.2246   -7.2454    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  8 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 17 13  2
 16 17  1
 16 18  1
M  END
> <Title>
ZINC00558131

> <SMILES>
CCOc1cccc(c1)C(=O)Nc2nnn(n2)C

$$$$
C11H13N5O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 N   0  0  0
    8.4544    1.9124    0.0000 N   0  0  0
    8.4544    0.5124    0.0000 N   0  0  0
    7.1229    0.0798    0.0000 N   0  0  0
    9.5870   -0.3105    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 17 13  2
 16 17  1
 16 18  1
M  END
> <Title>
ZINC00558135

> <SMILES>
CCOc1ccc(cc1)C(=O)Nc2nnn(n2)C

$$$$
C15H22N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  1
 13 14  1
 14 15  1
 17 12  1
 16 17  1
 15 16  1
 15 18  1
M  END
> <Title>
ZINC00559767

> <SMILES>
CCC(=O)Nc1ccc(cc1)N2CCC(CC2)C

$$$$
C15H17NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 18  9  2
 17 18  1
M  END
> <Title>
ZINC00564233

> <SMILES>
CC(C)NC(=O)COc1ccc2ccccc2c1

$$$$
C13H18N3O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 N   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 O   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
    7.4870    1.5229    0.0000 C   0  0  0
    7.3407    2.9152    0.0000 N   0  3  0
    8.4733    3.7381    0.0000 C   0  0  0
    9.7522    3.1687    0.0000 C   0  0  0
    8.3269    5.1305    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  5  6  1
  5  8  1
  8  9  1
  9 10  2
 12  8  2
 11 12  1
 10 11  1
 10 13  1
 13 14  1
 14 15  1
 15 16  1
 15 17  1
M  CHG  1  14   1
M  END
> <Title>
ZINC00564327

> <SMILES>
Cc1ccc(cc1)c2nc(on2)C[NH2+]C(C)C

$$$$
C11H9FO2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 O   0  0  0
   -2.9624   -4.5100    0.0000 C   0  0  0
   -3.1087   -5.9024    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
 12 13  1
  3  4  2
  3 14  1
M  END
> <Title>
ZINC00569346

> <SMILES>
c1cc(ccc1c2ccc(o2)CO)F

$$$$
C12H9O3
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.1923   -2.5712    0.0000 C   0  0  0
    4.4834   -3.9406    0.0000 C   0  0  0
    3.2710   -4.6406    0.0000 C   0  0  0
    2.2306   -3.7038    0.0000 O   0  0  0
    3.1246   -6.0329    0.0000 C   0  0  0
    1.8457   -6.6024    0.0000 O   0  0  0
    4.2573   -6.8558    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  2
  9 10  1
 10 11  2
 12  8  1
 11 12  1
 11 13  1
 13 14  2
 13 15  1
M  CHG  1  15  -1
M  END
> <Title>
ZINC00569363

> <SMILES>
Cc1cccc(c1)c2ccc(o2)C(=O)[O-]

$$$$
C9H11N5O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.9159    1.7148    0.0000 O   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7432    4.5193    0.0000 C   0  0  0
   -2.7432    5.9193    0.0000 C   0  0  0
   -1.4118    6.3519    0.0000 C   0  0  0
   -0.5889    5.2193    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  6  7  1
  8  4  1
  7  8  2
  5  6  2
  5  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00569439

> <SMILES>
CCCn1c(nnn1)NC(=O)c2ccco2

$$$$
C13H16N2S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 S   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00570678

> <SMILES>
CN(C)c1ccc(cc1)NCc2cccs2

$$$$
C11H17N2
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.2306    6.1287    0.0000 C   0  0  0
    3.2710    7.0655    0.0000 C   0  0  0
    4.4834    6.3655    0.0000 C   0  0  0
    4.1923    4.9961    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  3  4  1
  3  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  9  1
 12 13  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00570736

> <SMILES>
c1cc(cnc1)C[NH2+]C2CCCC2

$$$$
C11H16NO3
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  1
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 O   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 O   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  1  1  6
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 10 12  1
 12 13  1
 14  9  1
 13 14  1
  2  3  1
  2 15  1
M  CHG  1   4   1
M  END
> <Title>
ZINC00570841

> <SMILES>
C[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)O

$$$$
C17H17N2
  MOLSOFT 11061513452D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 N   0  3  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 N   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  8  9  1
 10  4  1
  9 10  2
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00571076

> <SMILES>
c1ccc2c(c1)cccc2C[NH2+]Cc3ccncc3

$$$$
C8H10N2O3S
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.3124   -0.5124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 S   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
   -2.8000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  2
  2  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 11  6  1
 10 11  2
  9 10  1
  9 12  1
 12 13  2
 12 14  1
M  END
> <Title>
ZINC00571755

> <SMILES>
CS(=O)(=O)Nc1ccc(cc1)C(=O)N

$$$$
C10H14N2O3S
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 S   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    0.0000 O   0  0  0
    5.6000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  1
 13 14  2
 13 15  2
 13 16  1
M  END
> <Title>
ZINC00571921

> <SMILES>
CCNC(=O)c1ccc(cc1)NS(=O)(=O)C

$$$$
C9H18N2O3S
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.3124    0.5124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 S   0  0  0
   -0.8876    1.9124    0.0000 O   0  0  0
   -2.8000    2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  2
  2  5  1
  6  7  1
  7  8  2
  7  9  1
  5  6  1
  5 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00574499

> <SMILES>
CS(=O)(=O)N(CC(=O)N)C1CCCCC1

$$$$
C14H14FNO
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC00575186

> <SMILES>
COc1ccc(cc1)NCc2ccc(cc2)F

$$$$
C12H11ClN2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 N   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
  3  4  2
  3 15  1
M  END
> <Title>
ZINC00575261

> <SMILES>
c1cc(ccc1NCc2ccncc2)Cl

$$$$
C10H9ClN2O
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 O   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  3
  4  5  1
  4 14  1
M  END
> <Title>
ZINC00575922

> <SMILES>
c1ccc(c(c1)CNC(=O)CC#N)Cl

$$$$
C11H13N2S
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  3  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 N   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00576441

> <SMILES>
c1cc(sc1)C[NH2+]Cc2ccncc2

$$$$
C10H14Cl2NO
  MOLSOFT 11061513452D

 14 14  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  1
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
   -0.0000    2.4249    0.0000 Cl  0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  1  1  6
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  8  9  2
  9 10  1
 11  6  1
 10 11  2
 11 12  1
  7  8  1
  7 13  1
  2  3  1
  2 14  1
M  CHG  1   4   1
M  END
> <Title>
ZINC00576510

> <SMILES>
C[C@@H](C[NH2+]Cc1c(cccc1Cl)Cl)O

$$$$
C14H19NO2
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  2
    9.2229    3.5575    0.0000 C   0  0  0
   10.5544    3.1249    0.0000 C   0  0  0
   10.5544    1.7249    0.0000 C   0  0  0
    9.2229    1.2922    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 13 12  1  6
 13 14  1
 14 15  1
 15 16  1
 13 17  1
 16 17  1
M  END
> <Title>
ZINC00578068

> <SMILES>
Cc1ccc(cc1)CC(=O)NC[C@@H]2CCCO2

$$$$
C9H9N3O2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    5.5282   -2.3834    0.0000 O   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 14  8  1
 12 14  1
M  END
> <Title>
ZINC00580944

> <SMILES>
CC(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2

$$$$
C13H16N2O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
 15 16  1
 16 17  1
 18 14  1
 17 18  1
M  END
> <Title>
ZINC00610204

> <SMILES>
CC(=O)Nc1ccc(cc1)OC(=O)N2CCCC2

$$$$
C9H7F2N5O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 F   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 N   0  0  0
    2.1000    6.0622    0.0000 N   0  0  0
    0.7077    6.2085    0.0000 C   0  0  0
    0.4166    7.5779    0.0000 N   0  0  0
    1.6290    8.2779    0.0000 N   0  0  0
    2.6694    7.3411    0.0000 C   0  0  0
  1  2  1
  2  3  2
  6  1  2
  5  6  1
  6  7  1
  4  5  2
  4  8  1
  3  4  1
  3  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 17 13  1
 16 17  2
M  END
> <Title>
ZINC00610949

> <SMILES>
c1cc(c(cc1F)F)NC(=O)Nn2cnnc2

$$$$
C11H13N5O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 N   0  0  0
    7.1229   -2.5047    0.0000 C   0  0  0
    8.4544   -2.9373    0.0000 N   0  0  0
    8.4544   -4.3373    0.0000 N   0  0  0
    7.1229   -4.7699    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 16 12  1
 15 16  2
  5  6  2
  5 17  1
 17 18  1
M  END
> <Title>
ZINC00611720

> <SMILES>
Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC

$$$$
C13H16N2O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.5694   -6.1287    0.0000 C   0  0  0
   -0.4710   -7.0655    0.0000 C   0  0  0
   -1.6834   -6.3655    0.0000 C   0  0  0
   -1.3923   -4.9961    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
 15 16  1
 16 17  1
 18 14  1
 17 18  1
M  END
> <Title>
ZINC00612200

> <SMILES>
COC(=O)c1ccccc1NC(=O)N2CCCC2

$$$$
C14H20N3
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 C   0  0  0
    6.7406   -1.6834    0.0000 N   0  3  0
    6.6360   -0.2873    0.0000 C   0  0  0
    7.6623    0.6649    0.0000 C   0  0  0
    9.0466    0.4563    0.0000 C   0  0  0
    9.7466   -0.7562    0.0000 C   0  0  0
    9.2352   -2.0594    0.0000 C   0  0  0
    7.8974   -2.4721    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  9  4  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 11  1
 16 17  1
M  CHG  1  11   1
M  END
> <Title>
ZINC00612220

> <SMILES>
c1ccc2c(c1)[nH]c(n2)C[NH+]3CCCCCC3

$$$$
C15H18N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.3923   -4.9961    0.0000 C   0  0  0
    8.6834   -6.3655    0.0000 C   0  0  0
    7.4710   -7.0655    0.0000 C   0  0  0
    6.4306   -6.1287    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 12  1
 15 16  1
  3  4  1
  3 17  1
 17 18  3
M  END
> <Title>
ZINC00618437

> <SMILES>
c1cc(cc(c1)NC(=O)CCC2CCCC2)C#N

$$$$
C11H11N3O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 N   0  0  0
    6.3544    0.7000    0.0000 N   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  2
 14 15  1
 15 16  2
 17 13  1
 16 17  1
M  END
> <Title>
ZINC00618490

> <SMILES>
CN(C)C(=O)Oc1ccc(cc1)c2nnco2

$$$$
C9H15N5OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 S   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 O   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  1
  5  6  1
  5 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00618765

> <SMILES>
CNc1nc(nc(n1)SC)N2CCOCC2

$$$$
C15H17NO2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.3306    2.4914    0.0000 C   0  0  0
    5.3710    3.4282    0.0000 C   0  0  0
    5.3710    4.8282    0.0000 C   0  0  0
    6.5834    5.5282    0.0000 C   0  0  0
    7.7958    4.8282    0.0000 C   0  0  0
    7.7958    3.4282    0.0000 C   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 10 11  2
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 18 10  1
 17 18  1
M  END
> <Title>
ZINC00620251

> <SMILES>
CC1CCN(CC1)C(=O)c2cc3ccccc3o2

$$$$
C12H15N3O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.0725    0.8999    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 N   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 O   0  0  0
    2.1000    6.0622    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 O   0  0  0
   -1.0725   -0.8999    0.0000 C   0  0  0
  1  2  1
  3  4  1
  5  6  1
  6  7  2
  8  2  1
  6  8  1
  4  5  2
  4  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  1
 13 14  2
 13 15  1
 16 10  1
 15 16  1
 16 17  2
  2  3  1
  2 18  1
M  END
> <Title>
ZINC00620739

> <SMILES>
CC1(CC(=CC(=O)C1)Nc2c[nH]c(=O)[nH]c2=O)C

$$$$
C12H9N3O3
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    8.0543    3.7005    0.0000 N   0  0  0
    8.7543    4.9130    0.0000 C   0  0  0
   10.1466    5.0593    0.0000 O   0  0  0
    7.8175    5.9534    0.0000 N   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
 15 16  1
 16 17  2
 18 12  1
 16 18  1
M  END
> <Title>
ZINC00621487

> <SMILES>
c1cc(oc1)C(=O)Nc2ccc3c(c2)[nH]c(=O)[nH]3

$$$$
C11H14ClNO2
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  4  5  1
  2  4  1
  2  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
M  END
> <Title>
ZINC00621626

> <SMILES>
CC(C)(CO)NC(=O)c1cccc(c1)Cl

$$$$
C10H11N3O2S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    5.7917   -1.4000    0.0000 O   0  0  0
    7.0041   -0.7000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 14  6  1
 13 14  1
 11 12  2
 11 15  1
 15 16  1
M  END
> <Title>
ZINC00712157

> <SMILES>
CNC(=O)Nc1nc2ccc(cc2s1)OC

$$$$
C13H9NO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
  3  4  1
  3 14  1
 14 15  3
M  END
> <Title>
ZINC00731160

> <SMILES>
c1cc(cc(c1)c2ccc(cc2)O)C#N

$$$$
C13H9NO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
 11 13  1
  3  4  1
  3 14  1
 14 15  3
M  END
> <Title>
ZINC00731161

> <SMILES>
c1cc(cc(c1)c2cccc(c2)O)C#N

$$$$
C11H20N3
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  3  0
   -1.8355    1.6477    0.0000 C   0  0  0
   -3.2354    1.6267    0.0000 C   0  0  0
   -4.1246    2.7081    0.0000 C   0  0  0
   -3.8335    4.0775    0.0000 C   0  0  0
   -2.5813    4.7038    0.0000 C   0  0  0
   -1.3110    4.1153    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  2  1
  5  6  1
  3  4  1
  3  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  8  1
 13 14  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00757133

> <SMILES>
Cc1c(nc[nH]1)C[NH+]2CCCCCC2

$$$$
C14H21N2O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  3  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000   -0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 14  9  1
 13 14  1
 12 13  1
 12 15  1
 15 16  2
 15 17  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00757318

> <SMILES>
c1ccc(cc1)CC[NH+]2CCC(CC2)C(=O)N

$$$$
C11H21N2O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  3  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.9000    2.6124    0.0000 C   0  0  0
    6.1124    1.9124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  1
 11  6  1
 10 11  1
  9 10  1
  9 12  1
 12 13  1
 13 14  1
 15 13  1
 14 15  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00757798

> <SMILES>
CCOC(=O)N1CCC(CC1)[NH2+]C2CC2

$$$$
C12H18FN2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000   -0.0000    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
M  CHG  1   2   1
M  END
> <Title>
ZINC00761384

> <SMILES>
C[NH+]1CCC(CC1)Nc2ccccc2F

$$$$
C13H20FN2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000   -0.0000    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  8  3  1
  7  8  1
  6  7  1
  6  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
M  CHG  1   3   1
M  END
> <Title>
ZINC00766484

> <SMILES>
CC[NH+]1CCC(CC1)Nc2ccccc2F

$$$$
C13H18N2O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 C   0  0  0
    0.7000    8.4870    0.0000 C   0  0  0
    2.1000    8.4870    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  3  4  1
  3  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00780041

> <SMILES>
c1cc(cnc1)NC(=O)CC2CCCCC2

$$$$
C10H13N3S
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 N   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 N   0  0  0
   -0.7997   -2.9347    0.0000 N   0  0  0
   -1.8401   -1.9979    0.0000 C   0  0  0
   -1.0907   -4.3041    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  1
  6  2  1
  5  6  2
  6  7  1
  8  9  1
 10  5  1
  9 10  2
  7  8  2
  7 11  1
 11 12  1
 11 13  1
  3  4  1
  3 14  1
M  END
> <Title>
ZINC00784866

> <SMILES>
Cc1c(sc2c1c(ncn2)N(C)C)C

$$$$
C13H17N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 O   0  0  0
    9.1000    1.2124    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  9 10  1
 10 11  2
 13  8  1
 12 13  2
 13 14  1
 11 12  1
 11 15  1
 15 16  2
 15 17  1
M  CHG  1  17  -1
M  END
> <Title>
ZINC00793218

> <SMILES>
CC1CCN(CC1)c2ccc(cc2N)C(=O)[O-]

$$$$
C14H13N3O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.1923   -2.5712    0.0000 N   0  0  0
    4.4834   -3.9406    0.0000 C   0  0  0
    5.6958   -4.6406    0.0000 C   0  0  0
    5.6958   -6.0406    0.0000 C   0  0  0
    4.4834   -6.7406    0.0000 C   0  0  0
    3.2710   -6.0406    0.0000 C   0  0  0
    3.2710   -4.6406    0.0000 C   0  0  0
    2.2306   -3.7038    0.0000 N   0  0  0
    4.4834   -8.1406    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 17  9  2
 16 17  1
 14 15  2
 14 18  1
M  END
> <Title>
ZINC00794577

> <SMILES>
COc1cccc(c1)c2[nH]c3ccc(cc3n2)N

$$$$
C14H17N2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 N   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  CHG  1   9   1
M  END
> <Title>
ZINC00795089

> <SMILES>
Cc1ccc(cc1)C[NH2+]Cc2ccncc2

$$$$
C15H20NO2
  MOLSOFT 11061513452D

 18 20  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  2
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    4.1694    0.2911    0.0000 O   0  0  0
    4.3157    1.6834    0.0000 C   0  0  0
    3.0368    2.2528    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
 10  9  1  6
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 10 15  1
 14 15  1
  4  5  1
  4 16  1
 16 17  1
 18  3  1
 17 18  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00795102

> <SMILES>
c1cc2c(cc1C[NH2+]C[C@@H]3CCC=CC3)OCO2

$$$$
C14H15N2O2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  3  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    8.4000   -2.4249    0.0000 C   0  0  0
    9.1000   -3.6373    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    9.3368   -5.8901    0.0000 O   0  0  0
   10.6157   -5.3207    0.0000 C   0  0  0
   10.4694   -3.9284    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
 16 17  1
 18 13  1
 17 18  1
M  CHG  1   8   1
M  END
> <Title>
ZINC00795103

> <SMILES>
c1ccnc(c1)C[NH2+]Cc2ccc3c(c2)OCO3

$$$$
C11H17N3OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.6185   -1.0903    0.0000 C   0  0  0
    5.4414   -2.2229    0.0000 C   0  0  0
    4.6185   -3.3555    0.0000 C   0  0  0
    3.2870   -2.9229    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
 12 13  1
 13 14  1
 14 15  1
 16 12  1
 15 16  1
M  END
> <Title>
ZINC00795784

> <SMILES>
CCCC(=O)Nc1nnc(s1)C2CCCC2

$$$$
C13H12N2O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.5694   -6.1287    0.0000 C   0  0  0
   -0.4710   -7.0655    0.0000 C   0  0  0
   -1.6834   -6.3655    0.0000 C   0  0  0
   -1.3923   -4.9961    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  2
 15 16  1
 16 17  2
 18 14  1
 17 18  1
M  END
> <Title>
ZINC00797157

> <SMILES>
CNC(=O)c1ccccc1NC(=O)c2ccco2

$$$$
C10H18N2O3S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.5124    1.9124    0.0000 C   0  0  0
    7.5124    0.5124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  2
  2  5  1
  5  6  1
  6  7  1
  7  8  1
 10  5  1
  9 10  1
  8  9  1
  8 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 16 14  1
 15 16  1
M  END
> <Title>
ZINC00798104

> <SMILES>
CS(=O)(=O)N1CCC(CC1)C(=O)NC2CC2

$$$$
C12H22N2O3
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  2
 14 16  1
 16 17  1
M  END
> <Title>
ZINC00800871

> <SMILES>
CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC

$$$$
C12H14ClNO2
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  2
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -1.5306    4.9163    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  3  4  1
  3  9  1
  9 10  1
 10 11  2
 12 10  1  6
 12 13  1
 13 14  1
 14 15  1
 12 16  1
 15 16  1
M  END
> <Title>
ZINC00804572

> <SMILES>
Cc1c(cccc1Cl)NC(=O)[C@@H]2CCCO2

$$$$
C9H12N2O2S
  MOLSOFT 11061513452D

 14 15  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  1
    7.0301   -1.3437    0.0000 C   0  0  0
    7.8530   -2.4764    0.0000 C   0  0  0
    7.0301   -3.6090    0.0000 C   0  0  0
    5.6986   -3.1764    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  1
  6  2  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
 10  8  1  1
 10 11  1
 11 12  1
 12 13  1
 10 14  1
 13 14  1
M  END
> <Title>
ZINC00804582

> <SMILES>
Cc1csc(n1)NC(=O)[C@H]2CCCO2

$$$$
C12H14N2O3
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 C   0  0  2
    2.2306    6.1287    0.0000 C   0  0  0
    3.2710    7.0655    0.0000 C   0  0  0
    4.4834    6.3655    0.0000 C   0  0  0
    4.1923    4.9961    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  3  4  1
  3 10  1
 10 11  1
 11 12  2
 13 11  1  6
 13 14  1
 14 15  1
 15 16  1
 13 17  1
 16 17  1
M  END
> <Title>
ZINC00804618

> <SMILES>
c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2

$$$$
C13H21N2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 N   0  3  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  9  4  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
 12 14  1
 14 15  1
M  CHG  1  15   1
M  END
> <Title>
ZINC00807970

> <SMILES>
CC(C)N1CCCc2c1ccc(c2)C[NH3+]

$$$$
C13H17NO2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  3  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  5  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 12  7  1
 11 12  1
 10 11  1
 10 13  1
 13 14  1
 14 15  2
 14 16  1
M  CHG  2  10   1  16  -1
M  END
> <Title>
ZINC00808022

> <SMILES>
c1ccc(cc1)C2CC[NH+](CC2)CC(=O)[O-]

$$$$
C14H17N2O2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 N   0  3  0
    0.0000    2.4249    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 O   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  6  7  2
  8  3  1
  8  9  2
 10  1  2
  9 10  1
  7  8  1
  7 11  1
  4  5  2
  4 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  CHG  1  13   1
M  END
> <Title>
ZINC00809927

> <SMILES>
c1cc2c(ccc(c2nc1)O)C[NH+]3CCOCC3

$$$$
C10H16NO2
  MOLSOFT 11061513452D

 13 14  0  0  1  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 N   0  3  0
    0.8944   -4.8360    0.0000 C   0  0  0
    1.8312   -5.8764    0.0000 C   0  0  1
    3.2235   -5.7300    0.0000 C   0  0  0
    3.7930   -7.0090    0.0000 C   0  0  0
    2.7526   -7.9458    0.0000 C   0  0  0
    1.5401   -7.2458    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  1
  5  1  1
  4  5  2
  5  6  1
  6  7  1
  7  8  1
  9  8  1  1
  9 10  1
 10 11  1
 11 12  1
  9 13  1
 12 13  1
M  CHG  1   7   1
M  END
> <Title>
ZINC00810267

> <SMILES>
c1cocc1C[NH2+]C[C@H]2CCCO2

$$$$
C8H15N4OS
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 N   0  3  0
    7.1239    0.1854    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  3  1
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 12 14  1
M  CHG  1  12   1
M  END
> <Title>
ZINC00811938

> <SMILES>
CCc1nnc(s1)NC(=O)C[NH+](C)C

$$$$
C14H19N2
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  1
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  3  3
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.8000   -4.8497    0.0000 N   0  0  0
  2  1  1  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  7  2  1
  7  6  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
 15 16  3
M  CHG  1   7   1
M  END
> <Title>
ZINC00812169

> <SMILES>
C[C@H]1CCCC[NH+]1Cc2ccccc2C#N

$$$$
C15H14FN2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  3  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
    2.8000   -9.6995    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
  3  4  2
  3 17  1
 17 18  3
M  CHG  1   8   1
M  END
> <Title>
ZINC00812223

> <SMILES>
c1cc(ccc1C[NH2+]Cc2ccc(cc2)F)C#N

$$$$
C11H13N3OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 N   0  0  0
    4.1694   -0.2911    0.0000 S   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
 12 14  1
 14 15  2
 16 11  1
 15 16  1
M  END
> <Title>
ZINC00813685

> <SMILES>
CC(C)(C)NC(=O)c1ccc2c(c1)nns2

$$$$
C14H16N2O2
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  1
   -4.2000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
  1  2  1
  3  2  1
  3  4  1  1
  3  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 12  8  2
 11 12  1
 10 11  1
 10 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00815042

> <SMILES>
CC[C@@H](C)NC(=O)c1cc(on1)c2ccccc2

$$$$
C14H16N2O2
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  2
   -4.2000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
  1  2  1
  3  2  1
  3  4  1  6
  3  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 12  8  2
 11 12  1
 10 11  1
 10 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00815043

> <SMILES>
CC[C@H](C)NC(=O)c1cc(on1)c2ccccc2

$$$$
C14H21N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  3  0
    4.9000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    8.4000   -2.4249    0.0000 C   0  0  0
    9.1000   -3.6373    0.0000 O   0  0  0
    9.1000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 15 10  1
 14 15  1
 13 14  1
 13 16  1
 16 17  2
 16 18  1
M  CHG  1  10   1
M  END
> <Title>
ZINC00819567

> <SMILES>
COc1cccc(c1)C[NH+]2CCC(CC2)C(=O)N

$$$$
C12H11NO3S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  8  9  1
  6  7  1
  6 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  2
 14 15  1
 15 16  2
 17 13  1
 16 17  1
M  END
> <Title>
ZINC00822785

> <SMILES>
COc1ccc(cc1O)NC(=O)c2cccs2

$$$$
C13H13N5
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    3.0368   -2.5969    0.0000 C   0  0  0
    4.3157   -3.1663    0.0000 N   0  0  0
    4.1694   -4.5587    0.0000 N   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    5.2098   -5.4954    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 14 10  2
 14 15  1
 15 16  2
 17  9  2
 16 17  1
 13 14  1
 13 18  1
M  END
> <Title>
ZINC00838235

> <SMILES>
Cc1ccccc1Nc2c3cnn(c3ncn2)C

$$$$
C11H13N3O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    2.6965   -3.2134    0.0000 O   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  9 10  1
 11  3  1
 10 11  2
 11 12  1
 12 13  1
 13 14  2
 13 15  1
M  END
> <Title>
ZINC00845899

> <SMILES>
CCn1c2ccccc2nc1NC(=O)C

$$$$
C10H16N4O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    2.6965   -3.2134    0.0000 O   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
    1.8312   -5.8764    0.0000 C   0  0  0
    3.2006   -5.5853    0.0000 C   0  0  0
    4.1374   -6.6257    0.0000 C   0  0  0
    3.7048   -7.9572    0.0000 C   0  0  0
    2.3354   -8.2483    0.0000 C   0  0  0
    1.3986   -7.2079    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Title>
ZINC00859043

> <SMILES>
c1nncn1NC(=O)CC2CCCCC2

$$$$
C15H16N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -7.7000   -3.6373    0.0000 C   0  0  0
   -8.4000   -2.4249    0.0000 C   0  0  0
   -7.7000   -1.2124    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  2  3  1
  2 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00859193

> <SMILES>
CN(CCc1ccccn1)C(=O)c2ccccc2

$$$$
C16H23NO
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC00859957

> <SMILES>
CC1CCN(CC1)C(=O)CCCc2ccccc2

$$$$
C11H14N2O3
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
 15 16  1
M  END
> <Title>
ZINC00860450

> <SMILES>
CC(=O)Nc1cccc(c1)NC(=O)COC

$$$$
C11H18N4O2
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  7  2  1
  6  7  2
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 11 13  1
  5  6  1
  5 14  1
 14 15  1
 14 16  1
  3  4  1
  3 17  1
M  END
> <Title>
ZINC00900772

> <SMILES>
Cc1c(nc(nc1OC(=O)N(C)C)N(C)C)C

$$$$
C6H7NO
  MOLSOFT 11061513452D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
M  END
> <Title>
ZINC00901466

> <SMILES>
c1ccc(cc1)NO

$$$$
C11H16NO3S
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    6.3000    1.2124    0.0000 C   0  0  1
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 S   0  0  0
    9.8467    1.7661    0.0000 O   0  0  0
    8.7455    3.2818    0.0000 O   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 C   0  0  2
    6.6903   -1.2517    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  9  8  1  1
  9 10  1
 10 11  1
 11 12  2
 11 13  2
 11 14  1
 15  9  1
 15 14  1
 15 16  1  6
M  CHG  1   8   1
M  END
> <Title>
ZINC00967003

> <SMILES>
c1ccc(cc1)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O

$$$$
C10H15N2O3S
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  3  0
    2.8000    4.8497    0.0000 C   0  0  1
    2.2306    6.1287    0.0000 C   0  0  0
    3.2710    7.0655    0.0000 S   0  0  0
    4.0939    8.1981    0.0000 O   0  0  0
    2.2306    8.0023    0.0000 O   0  0  0
    4.4834    6.3655    0.0000 C   0  0  0
    4.1923    4.9961    0.0000 C   0  0  2
    5.1291    3.9557    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  3  4  1
  3  7  1
  7  8  1
  9  8  1  1
  9 10  1
 10 11  1
 11 12  2
 11 13  2
 11 14  1
 15  9  1
 15 14  1
 15 16  1  6
M  CHG  1   8   1
M  END
> <Title>
ZINC00967126

> <SMILES>
c1cc(cnc1)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O

$$$$
C10H8S
  MOLSOFT 11061513452D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 S   0  0  0
    5.0229   -1.1326    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 11  7  2
 10 11  1
M  END
> <Title>
ZINC00967487

> <SMILES>
c1ccc(cc1)c2ccsc2

$$$$
C12H13N3
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
  4  5  1
  4 15  1
M  END
> <Title>
ZINC00967734

> <SMILES>
Cc1cc(nc(n1)Nc2ccccc2)C

$$$$
C13H16N2O3
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    1.8617    3.4847    0.0000 C   0  0  0
    1.7154    4.8770    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 N   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 O   0  0  0
    1.4227    7.6617    0.0000 C   0  0  0
    0.0303    7.5153    0.0000 C   0  0  0
    0.5998    8.7943    0.0000 C   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  2
 14 16  1
 16 17  1
 18 16  1
 17 18  1
M  END
> <Title>
ZINC00970783

> <SMILES>
c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3

$$$$
C11H9ClN4O
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 N   0  0  0
    2.1000   -8.4870    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
  3  4  2
  3 17  1
M  END
> <Title>
ZINC00984048

> <SMILES>
c1cc(ccc1NC(=O)Nc2cnccn2)Cl

$$$$
C6H6N3O3S2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 S   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5523   -3.1687    0.0000 O   0  0  0
    6.9776   -1.2069    0.0000 O   0  5  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 12 14  1
M  CHG  1  14  -1
M  END
> <Title>
ZINC00991307

> <SMILES>
CC(=O)Nc1nnc(s1)SCC(=O)[O-]

$$$$
C6H9N3O2S2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 S   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 O   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  4  1
  7  8  1
  7  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
M  END
> <Title>
ZINC00995905

> <SMILES>
CCSc1nnc(s1)NC(=O)OC

$$$$
C6H6F3N3OS
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.5215   -0.6437    0.0000 F   0  0  0
    4.8757   -2.9090    0.0000 F   0  0  0
    6.8312   -2.5993    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  3  1
  6  7  1
  6  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 11 13  1
 11 14  1
M  END
> <Title>
ZINC00997523

> <SMILES>
CCc1nnc(s1)NC(=O)C(F)(F)F

$$$$
C10H7F3N2O2
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    3.3124    4.3373    0.0000 F   0  0  0
    0.8876    2.9373    0.0000 F   0  0  0
    1.4000    4.8497    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  3
  3  4  2
  3 13  1
 13 14  1
 14 15  1
 14 16  1
 14 17  1
M  END
> <Title>
ZINC00999680

> <SMILES>
c1cc(ccc1NC(=O)CC#N)OC(F)(F)F

$$$$
C10H11N3O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 O   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.9145    5.8305    0.0000 C   0  0  0
    3.2056    7.1999    0.0000 C   0  0  0
    4.5979    7.3462    0.0000 C   0  0  0
    5.1673    6.0672    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  6  2  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  2
 12 13  1
 13 14  2
 15 11  1
 14 15  1
M  END
> <Title>
ZINC01000907

> <SMILES>
Cn1cc(cn1)CNC(=O)c2ccco2

$$$$
C10H15N3O2
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 O   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  2
    7.2686    0.1625    0.0000 C   0  0  0
    8.6610    0.3088    0.0000 C   0  0  0
    9.2304   -0.9702    0.0000 C   0  0  0
    8.1900   -1.9069    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  2  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  9 10  1
 11 10  1  6
 11 12  1
 12 13  1
 13 14  1
 11 15  1
 14 15  1
M  END
> <Title>
ZINC01001271

> <SMILES>
Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2

$$$$
C13H14FN3O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    3.6879    9.3075    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  7  3  1
  6  7  2
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC01002703

> <SMILES>
CCn1cc(cn1)C(=O)NCc2ccc(cc2)F

$$$$
C14H14N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    9.1000   -8.4870    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC01016488

> <SMILES>
c1ccnc(c1)C(=O)NCCc2ccc(cc2)O

$$$$
C10H13NO2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 11  6  1
 10 11  2
 11 12  1
  9 10  1
  9 13  1
M  END
> <Title>
ZINC01017099

> <SMILES>
CCC(=O)Nc1ccc(cc1O)C

$$$$
C12H10N4O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 N   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  3  4  1
  3 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC01019092

> <SMILES>
c1cc(ccc1C(=O)N)NC(=O)c2cnccn2

$$$$
C10H11N3OS
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.8216    3.4410    0.0000 C   0  0  0
   -5.0340    4.1410    0.0000 C   0  0  0
   -4.7429    5.5104    0.0000 C   0  0  0
   -3.3506    5.6567    0.0000 S   0  0  0
  1  2  1
  2  3  1
  4  5  1
  6  2  1
  5  6  2
  3  4  2
  3  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 11  1
 14 15  1
M  END
> <Title>
ZINC01019104

> <SMILES>
Cn1c(ccn1)C(=O)NCc2cccs2

$$$$
C7H5F3N2O2S
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    2.6965   -3.2134    0.0000 O   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
    2.2259   -5.2686    0.0000 F   0  0  0
   -0.4370   -4.4034    0.0000 F   0  0  0
    0.4618   -6.1675    0.0000 F   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 O   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  1
  5  1  1
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
  9 11  1
  9 12  1
  4  5  2
  4 13  1
 13 14  2
 13 15  1
M  END
> <Title>
ZINC01026192

> <SMILES>
c1csc(c1NC(=O)C(F)(F)F)C(=O)N

$$$$
C6H6N4O
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    2.6965   -3.2134    0.0000 O   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
    1.8312   -5.8764    0.0000 C   0  0  0
    2.7680   -6.9168    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  1
  5  1  1
  4  5  2
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  3
M  END
> <Title>
ZINC01026313

> <SMILES>
c1c[nH]nc1NC(=O)CC#N

$$$$
C11H8N2S2
  MOLSOFT 11061513452D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.2870    2.9229    0.0000 C   0  0  0
    4.6185    3.3555    0.0000 C   0  0  0
    5.4414    2.2229    0.0000 C   0  0  0
    4.6185    1.0903    0.0000 S   0  0  0
    6.8414    2.2229    0.0000 C   0  0  0
    7.6643    3.3555    0.0000 C   0  0  0
    8.9958    2.9229    0.0000 C   0  0  0
    8.9958    1.5229    0.0000 N   0  0  0
    7.6643    1.0903    0.0000 N   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  7  8  1
  8  9  2
 10  6  1
  9 10  1
  9 11  1
 11 12  2
 12 13  1
 13 14  2
 15 11  1
 14 15  1
M  END
> <Title>
ZINC01039495

> <SMILES>
c1cc(sc1)c2ccc(s2)c3ccn[nH]3

$$$$
C11H10ClN3
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
M  END
> <Title>
ZINC01044283

> <SMILES>
Cc1ccc(nn1)Nc2ccc(cc2)Cl

$$$$
C10H7N3S
  MOLSOFT 11061513452D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 N   0  0  0
    4.1694   -0.2911    0.0000 C   0  0  0
    5.2098    0.6457    0.0000 C   0  0  0
    5.0635    2.0380    0.0000 C   0  0  0
    6.3424    2.6075    0.0000 C   0  0  0
    7.2792    1.5671    0.0000 C   0  0  0
    6.5792    0.3546    0.0000 S   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  1
  6  1  2
  5  6  1
  5  7  2
  7  8  1
  9  4  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
M  END
> <Title>
ZINC01050997

> <SMILES>
c1ccn2c(c1)nnc2c3cccs3

$$$$
C14H16N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000    1.4000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 C   0  0  0
    8.4544    0.5124    0.0000 O   0  0  0
    7.1229    0.0798    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  2
 11 13  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 18 14  2
 17 18  1
M  END
> <Title>
ZINC01051980

> <SMILES>
CC(C)(C)c1ccc(cc1)C(=O)Nc2ccon2

$$$$
C14H15N3O
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  2
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -4.8497    0.0000 N   0  0  0
   -5.6000   -4.8497    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 N   0  0  0
  1  2  1
  3  2  1  6
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  3  4  1
  3 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC01053560

> <SMILES>
CC[C@H](c1ccccc1)C(=O)Nc2cnccn2

$$$$
C14H20N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -4.5832    6.0003    0.0000 C   0  0  0
   -5.0158    7.3318    0.0000 C   0  0  0
   -4.0790    8.3722    0.0000 C   0  0  0
   -2.7096    8.0811    0.0000 C   0  0  0
   -2.2770    6.7496    0.0000 C   0  0  0
  1  2  1
  2  3  1
  6  2  2
  5  6  1
  4  5  1
  4  7  1
  3  4  2
  3  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  1
 16 17  1
 18 13  1
 17 18  1
M  END
> <Title>
ZINC01053636

> <SMILES>
Cc1c(c(on1)C)C(=O)NCCC2=CCCCC2

$$$$
C10H10N2O2S
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.9145    5.8305    0.0000 C   0  0  0
    3.2056    7.1999    0.0000 C   0  0  0
    4.5979    7.3462    0.0000 C   0  0  0
    5.1673    6.0672    0.0000 S   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  4  5  2
  4  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 11  1
 14 15  1
M  END
> <Title>
ZINC01053645

> <SMILES>
Cc1cc(no1)C(=O)NCc2cccs2

$$$$
C11H11ClN2O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    5.7917    1.4000    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  1
 10 11  2
 12 13  2
 14  9  2
 13 14  1
 15  7  1
 14 15  1
 11 12  1
 11 16  1
M  END
> <Title>
ZINC01054476

> <SMILES>
COC(=O)NCc1cc2cc(ccc2[nH]1)Cl

$$$$
C8H10N2O3S
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  9 10  2
 11  7  1
 10 11  1
  8  9  1
  8 12  1
 12 13  2
 12 14  1
M  END
> <Title>
ZINC01055122

> <SMILES>
CCOC(=O)Nc1c(ccs1)C(=O)N

$$$$
C10H10N2O2S
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    0.2674   -2.5439    0.0000 N   0  0  0
    1.4000   -3.3668    0.0000 C   0  0  0
    2.5326   -2.5439    0.0000 S   0  0  0
    1.4000   -4.7668    0.0000 N   0  0  0
    2.6124   -5.4668    0.0000 C   0  0  0
    3.8249   -4.7668    0.0000 O   0  0  0
    2.6124   -6.8668    0.0000 O   0  0  0
    3.8249   -7.5668    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  2
 10  6  1
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  1
M  END
> <Title>
ZINC01055144

> <SMILES>
Cc1cccc2c1nc(s2)NC(=O)OC

$$$$
C13H14N2O2
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  1
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.6306   -3.7038    0.0000 C   0  0  0
   -4.6710   -4.6406    0.0000 C   0  0  0
   -5.8834   -3.9406    0.0000 O   0  0  0
   -5.5923   -2.5712    0.0000 N   0  0  0
  1  2  1
  3  2  1  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  3  4  1
  3 10  1
 10 11  2
 10 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 17 13  2
 16 17  1
M  END
> <Title>
ZINC01055644

> <SMILES>
CC[C@@H](c1ccccc1)C(=O)Nc2ccon2

$$$$
C12H15N3OS
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 O   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    7.2686    0.1625    0.0000 C   0  0  0
    8.6610    0.3088    0.0000 N   0  0  0
    9.2304   -0.9702    0.0000 N   0  0  0
    8.1900   -1.9069    0.0000 C   0  0  0
   10.5998   -1.2612    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  3  1
  6  7  1
  6  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 16 12  2
 15 16  1
 15 17  1
M  END
> <Title>
ZINC01056028

> <SMILES>
CCc1ccc(s1)C(=O)NCc2cnn(c2)C

$$$$
C13H16N2O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7432    4.5193    0.0000 C   0  0  0
   -2.7432    5.9193    0.0000 C   0  0  0
   -1.4118    6.3519    0.0000 O   0  0  0
   -0.5889    5.2193    0.0000 N   0  0  0
   -3.8759    6.7422    0.0000 C   0  0  0
   -4.6988    5.6096    0.0000 C   0  0  0
   -3.0530    7.8748    0.0000 C   0  0  0
   -5.0085    7.5651    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  2  1
  5  6  1
  3  4  1
  3  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 14 10  2
 13 14  1
 12 13  1
 12 15  1
 15 16  1
 15 17  1
 15 18  1
M  END
> <Title>
ZINC01056146

> <SMILES>
Cc1c(cco1)C(=O)Nc2cc(on2)C(C)(C)C

$$$$
C10H10N4OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 N   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  6  1
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  END
> <Title>
ZINC01056223

> <SMILES>
CCC(=O)Nc1nnc(s1)c2ccncc2

$$$$
C10H7ClN2O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.2306    6.1287    0.0000 C   0  0  0
    3.2710    7.0655    0.0000 C   0  0  0
    4.4834    6.3655    0.0000 O   0  0  0
    4.1923    4.9961    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 15 11  2
 14 15  1
M  END
> <Title>
ZINC01056321

> <SMILES>
c1cc(cc(c1)Cl)C(=O)Nc2ccon2

$$$$
C13H13NO2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 O   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 O   0  0  0
    4.1269   -5.1305    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  2  1
  5  6  1
  5  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 16 17  1
M  END
> <Title>
ZINC01056494

> <SMILES>
Cc1ccc(s1)C(=O)Nc2ccccc2OC

$$$$
C10H15N3O2S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    4.8570    0.4159    0.0000 C   0  0  0
    6.2494    0.5623    0.0000 C   0  0  0
    6.8188   -0.7167    0.0000 C   0  0  0
    5.7784   -1.6535    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  6  1
  9 10  1
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 12  1
 15 16  1
M  END
> <Title>
ZINC01056639

> <SMILES>
COC(=O)Nc1nnc(s1)CC2CCCC2

$$$$
C12H9N5O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 O   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.2306    6.1287    0.0000 C   0  0  0
    3.2710    7.0655    0.0000 N   0  0  0
    4.4834    6.3655    0.0000 N   0  0  0
    4.1923    4.9961    0.0000 C   0  0  0
    5.2327    4.0593    0.0000 N   0  0  0
    6.5642    4.4919    0.0000 C   0  0  0
    6.8553    5.8613    0.0000 C   0  0  0
    5.8149    6.7981    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  3  4  1
  3  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 14 10  2
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 18 13  1
 17 18  2
M  END
> <Title>
ZINC01063912

> <SMILES>
c1cc(cnc1)NC(=O)c2cnn3c2nccc3

$$$$
C11H13NO3
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  1
    0.5694   -6.1287    0.0000 C   0  0  0
   -0.4710   -7.0655    0.0000 C   0  0  0
   -1.6834   -6.3655    0.0000 C   0  0  0
   -1.3923   -4.9961    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  2
 10  8  1  1
 10 11  1
 11 12  1
 12 13  1
 10 14  1
 13 14  1
  3  4  1
  3 15  1
M  END
> <Title>
ZINC01066406

> <SMILES>
c1cc(ccc1NC(=O)[C@H]2CCCO2)O

$$$$
C13H10N4O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 N   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
    4.1694    0.2911    0.0000 N   0  0  0
    4.3157    1.6834    0.0000 C   0  0  0
    3.0368    2.2528    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
  4  5  1
  4 16  1
 16 17  2
 18  3  1
 17 18  1
M  END
> <Title>
ZINC01070076

> <SMILES>
c1cc2c(cc1C(=O)Nc3ccncc3)nc[nH]2

$$$$
C13H13N
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
 12 14  1
M  END
> <Title>
ZINC01074359

> <SMILES>
Cc1ccc(cc1)c2cccc(c2)N

$$$$
C4H7N3OS
  MOLSOFT 11061513452D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  4  1
  7  8  1
  7  9  1
M  END
> <Title>
ZINC01076074

> <SMILES>
COCc1nnc(s1)N

$$$$
C12H17N3O2
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -5.4124    1.7249    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -2.9876    3.1249    0.0000 C   0  0  0
   -4.9000    3.6373    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC01077316

> <SMILES>
CC(C)(C)NC(=O)Nc1ccccc1C(=O)N

$$$$
C10H19NO
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  7  1
 11 12  1
M  END
> <Title>
ZINC01090577

> <SMILES>
CNC(=O)CCC1CCCCC1

$$$$
C11H13N
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
 11  3  1
 10 11  1
  4  5  1
  4 12  1
M  END
> <Title>
ZINC01226820

> <SMILES>
CCc1c(c2ccccc2[nH]1)C

$$$$
C11H15ClN2O
  MOLSOFT 11061513452D

 15 15  0  0  1  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  2
   -3.5000   -3.6373    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  3  2  1
  3  4  1  1
  3  5  1
  5  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
M  END
> <Title>
ZINC01226886

> <SMILES>
CC[C@H](C)NC(=O)Nc1cccc(c1)Cl

$$$$
C13H10NO2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 O   0  5  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  8  9  1
  9 10  2
 12  7  1
 11 12  2
 10 11  1
 10 13  1
  4  5  1
  4 14  1
 14 15  2
 14 16  1
M  CHG  1  16  -1
M  END
> <Title>
ZINC01233107

> <SMILES>
c1ccc(c(c1)c2ccc(cc2)N)C(=O)[O-]

$$$$
C15H18N
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -4.8497    0.0000 C   0  0  0
   -5.6000   -4.8497    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  2  3  1
  2 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  CHG  1   2   1
M  END
> <Title>
ZINC01234761

> <SMILES>
C[NH+](Cc1ccccc1)Cc2ccccc2

$$$$
C4H7N5O
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  9 10  1
M  END
> <Title>
ZINC01236236

> <SMILES>
CC(=O)Nc1nnnn1C

$$$$
C14H18N
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    5.6000   -0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    7.7000    1.2124    0.0000 N   0  3  0
    7.0000    2.4249    0.0000 C   0  0  0
    7.7000    3.6373    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    9.8000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  3
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  CHG  1  10   1
M  END
> <Title>
ZINC01240297

> <SMILES>
c1ccc(cc1)C#CC[NH+]2CCCCC2

$$$$
C12H11N5O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    3.0368   -2.2528    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
   -0.0000    7.2746    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  1
  7  2  2
  6  7  1
  6  8  2
  8  9  1
 10  5  1
  9 10  2
  4  5  1
  4 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
M  END
> <Title>
ZINC01243299

> <SMILES>
Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O

$$$$
C12H11N5
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    2.8306    2.7159    0.0000 C   0  0  0
    2.6843    4.1083    0.0000 N   0  0  0
    3.9632    4.6777    0.0000 N   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  5  6  1
  5  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 14 10  2
 13 14  1
 14 15  1
 15 16  2
 17  9  2
 16 17  1
M  END
> <Title>
ZINC01248426

> <SMILES>
Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2

$$$$
C11H14N
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 N   0  3  0
   -6.3000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  3
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
M  CHG  1   2   1
M  END
> <Title>
ZINC01252167

> <SMILES>
C[NH+](C)CC#Cc1ccccc1

$$$$
C14H11NO
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
 11 13  1
 13 14  3
  3  4  1
  3 15  1
 15 16  1
M  END
> <Title>
ZINC01257425

> <SMILES>
c1cc(cc(c1)c2cccc(c2)C#N)CO

$$$$
C14H11NO
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
  3  4  1
  3 15  1
 15 16  3
M  END
> <Title>
ZINC01257840

> <SMILES>
c1cc(cc(c1)c2ccc(cc2)CO)C#N

$$$$
C14H13NO2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
M  END
> <Title>
ZINC01258204

> <SMILES>
COC(=O)c1ccc(cc1)c2ccccc2N

$$$$
C14H14O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
 14 15  1
M  END
> <Title>
ZINC01258567

> <SMILES>
Cc1cccc(c1)c2ccc(cc2)CO

$$$$
C15H13O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  1
 16 17  2
 16 18  1
M  CHG  1  18  -1
M  END
> <Title>
ZINC01259047

> <SMILES>
COc1ccc(cc1)c2ccc(cc2)CC(=O)[O-]

$$$$
C13H13NO
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
  4  5  1
  4 15  1
M  END
> <Title>
ZINC01259906

> <SMILES>
c1ccc(c(c1)c2ccc(cc2)CO)N

$$$$
C14H15NO3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  1
 10 11  2
 12 13  2
 14  9  2
 13 14  1
 14 15  1
 16  7  1
 15 16  1
 16 17  2
 11 12  1
 11 18  1
M  END
> <Title>
ZINC01261715

> <SMILES>
CCC(=O)OCc1cc2cc(ccc2[nH]c1=O)C

$$$$
C11H14NO2S
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
    6.3000    1.2124    0.0000 C   0  0  1
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 S   0  0  0
    9.8467    1.7661    0.0000 O   0  0  0
    8.7455    3.2818    0.0000 O   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  9  8  1  1
  9 10  1
 10 11  1
 11 12  2
 11 13  2
 11 14  1
  9 15  1
 14 15  2
M  CHG  1   8   1
M  END
> <Title>
ZINC01270757

> <SMILES>
c1ccc(cc1)C[NH2+][C@H]2CS(=O)(=O)C=C2

$$$$
C9H13NO
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  7  2  2
  7  8  1
  6  7  1
  6  9  1
  4  5  1
  4 10  1
 10 11  1
M  END
> <Title>
ZINC01280952

> <SMILES>
Cc1cc(cc(c1N)C)OC

$$$$
C10H9N3O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 N   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 O   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  2
 14  8  2
 13 14  1
  3  4  2
  3 15  1
M  END
> <Title>
ZINC01281317

> <SMILES>
c1cc(ccc1Nc2[nH]c(=O)ccn2)O

$$$$
C10H8FN3O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 N   0  0  0
   -0.0000    4.8497    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 O   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 N   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  3  4  1
  3  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  2
 15  9  2
 14 15  1
M  END
> <Title>
ZINC01281344

> <SMILES>
c1cc(cc(c1)F)Nc2[nH]c(=O)ccn2

$$$$
C15H21NO2
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  2
    6.4306    3.7038    0.0000 C   0  0  0
    7.4710    4.6406    0.0000 C   0  0  0
    8.6834    3.9406    0.0000 C   0  0  0
    8.3923    2.5712    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  2
 10 12  1
 12 13  1
 14 13  1  6
 14 15  1
 15 16  1
 16 17  1
 14 18  1
 17 18  1
M  END
> <Title>
ZINC01284117

> <SMILES>
CC(C)c1ccc(cc1)C(=O)NC[C@@H]2CCCO2

$$$$
C13H13N5
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.4674    0.1190    0.0000 C   0  0  0
    5.6000    0.9419    0.0000 N   0  0  0
    6.7326    0.1190    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    8.0641    0.5517    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 14 10  2
 14 15  1
 15 16  2
 17  9  2
 16 17  1
 13 14  1
 13 18  1
M  END
> <Title>
ZINC01298979

> <SMILES>
Cc1cccc(c1)Nc2c3cnn(c3ncn2)C

$$$$
C12H19N2O
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  1
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  3  0
  2  1  1  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  6  7  1
  6  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
  2  3  1
  2 15  1
M  CHG  1  15   1
M  END
> <Title>
ZINC01304656

> <SMILES>
C[C@@H](c1ccc(cc1)N2CCOCC2)[NH3+]

$$$$
C9H9N5OS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 N   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  4  6  1
  6  7  2
  7  8  1
  8  9  2
 10  6  1
  9 10  1
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  END
> <Title>
ZINC01348985

> <SMILES>
CC(=O)N(C)c1nnc(s1)c2cnccn2

$$$$
C10H15N3O2S
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.6185   -1.0903    0.0000 C   0  0  0
    5.4414   -2.2229    0.0000 C   0  0  0
    4.6185   -3.3555    0.0000 C   0  0  0
    3.2870   -2.9229    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
 10 12  1
 12 13  1
 13 14  1
 14 15  1
 16 12  1
 15 16  1
M  END
> <Title>
ZINC01356252

> <SMILES>
COCC(=O)Nc1nnc(s1)C2CCCC2

$$$$
C12H15N3O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.5124    1.9124    0.0000 C   0  0  0
    7.5124    0.5124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  1
 13 14  2
 13 15  1
 15 16  1
 17 15  1
 16 17  1
M  END
> <Title>
ZINC01358288

> <SMILES>
CCC(=O)Nc1ccc(cn1)NC(=O)C2CC2

$$$$
C13H17N3O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.5124    1.9124    0.0000 C   0  0  0
    7.5124    0.5124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  2
 14 16  1
 16 17  1
 18 16  1
 17 18  1
M  END
> <Title>
ZINC01358483

> <SMILES>
CC(C)C(=O)Nc1ccc(nc1)NC(=O)C2CC2

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.4306    3.7038    0.0000 C   0  0  0
    7.4710    4.6406    0.0000 S   0  0  0
    8.6834    3.9406    0.0000 N   0  0  0
    8.3923    2.5712    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  2
 11 13  1
 13 14  2
 14 15  1
 15 16  1
 17 13  1
 16 17  2
M  END
> <Title>
ZINC01361032

> <SMILES>
COc1ccc(cc1)CNC(=O)c2csnn2

$$$$
C10H11ClN2O
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
    2.0923   -3.7836    0.0000 C   0  0  0
    2.3834   -5.1531    0.0000 C   0  0  0
    1.1710   -5.8531    0.0000 C   0  0  0
    1.0246   -7.2454    0.0000 O   0  0  0
    0.1306   -4.9163    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 13  8  1
 11 13  1
  3  4  2
  3 14  1
M  END
> <Title>
ZINC01385196

> <SMILES>
c1cc(ccc1CN2CCC(=O)N2)Cl

$$$$
C11H11N3O2S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 S   0  0  0
    6.3544   -0.7000    0.0000 N   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  2
 14 15  1
 15 16  1
 17 13  1
 16 17  2
M  END
> <Title>
ZINC01387541

> <SMILES>
CCNC(=O)Oc1ccc(cc1)c2csnn2

$$$$
C9H7Cl2N3O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 N   0  0  0
   -1.3923   -2.5712    0.0000 N   0  0  0
   -0.3246   -6.0329    0.0000 C   0  0  0
    0.9543   -6.6024    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
 11  7  1
 10 11  2
  9 10  1
  9 12  1
 12 13  1
  4  5  1
  4 14  1
  3  4  2
  3 15  1
M  END
> <Title>
ZINC01387965

> <SMILES>
c1cc(c(cc1n2cc(nn2)CO)Cl)Cl

$$$$
C11H8ClN5
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.3306    2.4914    0.0000 N   0  0  0
    5.3710    3.4282    0.0000 N   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 N   0  0  0
    7.3327    0.4220    0.0000 N   0  0  0
    8.6642    0.8546    0.0000 C   0  0  0
    8.9553    2.2240    0.0000 C   0  0  0
    7.9149    3.1608    0.0000 C   0  0  0
    9.7046   -0.0822    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  8  1
 11 12  1
 12 13  1
 13 14  2
 16 11  1
 15 16  2
 14 15  1
 14 17  1
M  END
> <Title>
ZINC01388549

> <SMILES>
c1ccc(cc1)Nc2nnc3n2nc(cc3)Cl

$$$$
C9H11Cl2NO
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  6  7  1
 10  5  1
  9 10  2
 10 11  1
  8  9  1
  8 12  1
  7  8  2
  7 13  1
M  END
> <Title>
ZINC01388877

> <SMILES>
CC(C)Oc1cc(c(cc1Cl)Cl)N

$$$$
C7H7ClN2O
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  2
  8  9  2
 10  5  2
  9 10  1
  7  8  1
  7 11  1
M  END
> <Title>
ZINC01389101

> <SMILES>
CNC(=O)c1cc(ccn1)Cl

$$$$
C14H18N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.1000   -1.2124    0.0000 O   0  0  0
    9.1000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 10 11  1
 11 12  1
 12 13  1
 15 10  1
 14 15  1
 13 14  1
 13 16  1
 16 17  2
 16 18  1
M  END
> <Title>
ZINC01389433

> <SMILES>
CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)N

$$$$
C10H8N2O2
  MOLSOFT 11061513452D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 N   0  0  0
   -1.3923   -2.5712    0.0000 N   0  0  0
    4.1694    0.2911    0.0000 O   0  0  0
    4.3157    1.6834    0.0000 C   0  0  0
    3.0368    2.2528    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 11  7  2
 10 11  1
  4  5  1
  4 12  1
 12 13  1
 14  3  1
 13 14  1
M  END
> <Title>
ZINC01390251

> <SMILES>
c1cc2c(cc1c3cc[nH]n3)OCO2

$$$$
C13H13N3S
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 S   0  0  0
    4.9000   -6.0622    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 12 13  1
 13 14  1
 14 15  1
 15 16  2
 15 17  1
M  END
> <Title>
ZINC01392581

> <SMILES>
c1ccc(cc1)c2ccccc2NNC(=S)N

$$$$
C11H17N3S
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000    1.4000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 S   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  1
 13 14  2
 13 15  1
M  END
> <Title>
ZINC01392609

> <SMILES>
CC(C)(C)c1ccc(cc1)NNC(=S)N

$$$$
C11H13NO5
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  2
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  2
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 O   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    2.7194   -3.3582    0.0000 C   0  0  0
    3.2888   -4.6371    0.0000 C   0  0  0
    2.2484   -5.5739    0.0000 C   0  0  0
    1.0360   -4.8739    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  3  1  6
  5  6  1
  7  6  1
  5  9  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
  7  8  1
  7 17  1  1
M  END
> <Title>
ZINC01393275

> <SMILES>
COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O

$$$$
C11H13NO5
  MOLSOFT 11061513452D

 17 18  0  0  1  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  2
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  1
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 O   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    2.7194   -3.3582    0.0000 C   0  0  0
    3.2888   -4.6371    0.0000 C   0  0  0
    2.2484   -5.5739    0.0000 C   0  0  0
    1.0360   -4.8739    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  3  1  6
  5  6  1
  7  6  1
  5  9  1
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
  7  8  1
  7 17  1  6
M  END
> <Title>
ZINC01393277

> <SMILES>
COC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccco2)O

$$$$
C13H14N2O3
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 O   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  6  1
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 17 18  1
M  END
> <Title>
ZINC01393801

> <SMILES>
CC(=O)NCc1cc(no1)c2ccc(cc2)OC

$$$$
C12H11N2O4
  MOLSOFT 11061513452D

 18 19  0  0  1  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  1
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 O   0  0  0
    4.9000   -1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 O   0  0  0
    6.3000    3.6373    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  9  6  1  1
  9 10  1
 10 11  2
 12 13  1
 13 14  2
  9 15  1
 13 15  1
 11 12  1
 11 16  1
 16 17  2
 16 18  1
M  CHG  1  18  -1
M  END
> <Title>
ZINC01396133

> <SMILES>
COc1ccc(cc1)[C@H]2C=C(NC(=O)N2)C(=O)[O-]

$$$$
C7H18N3O2S
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  8 10  2
  8 11  1
 11 12  1
 11 13  1
M  CHG  1   2   1
M  END
> <Title>
ZINC01396467

> <SMILES>
C[NH+]1CCN(CC1)S(=O)(=O)N(C)C

$$$$
C8H8F3NO2S
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9412    2.0315    0.0000 F   0  0  0
    1.7218    2.8967    0.0000 F   0  0  0
   -0.0423    3.7956    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  2
  8  9  2
 10  6  1
  9 10  1
  9 11  1
  7  8  1
  7 12  1
 12 13  1
 12 14  1
 12 15  1
M  END
> <Title>
ZINC01400156

> <SMILES>
CCOC(=O)c1c(nc(s1)C)C(F)(F)F

$$$$
C12H11N3O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 N   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC01401994

> <SMILES>
CC(=O)Nc1ccc(cc1)Oc2ncccn2

$$$$
C12H10N4
  MOLSOFT 11061513452D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 N   0  0  0
   -1.3923   -2.5712    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.2306    3.7038    0.0000 C   0  0  0
    3.2710    4.6406    0.0000 C   0  0  0
    4.4834    3.9406    0.0000 N   0  0  0
    4.1923    2.5712    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  7  1
 10 11  1
  3  4  1
  3 12  1
 12 13  1
 13 14  2
 14 15  1
 16 12  1
 15 16  2
M  END
> <Title>
ZINC01402339

> <SMILES>
c1cc(ccc1c2ccn[nH]2)n3ccnc3

$$$$
C3H3N3O2S
  MOLSOFT 11061513452D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 O   0  0  0
  1  2  2
  3  4  2
  5  1  1
  4  5  1
  2  3  1
  2  6  1
  6  7  2
  6  8  1
  8  9  1
M  END
> <Title>
ZINC01403330

> <SMILES>
c1c(nns1)C(=O)NO

$$$$
C7H9N3O2S
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.9159    1.7148    0.0000 C   0  0  0
   -3.2853    2.0059    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 O   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
  1  2  2
  3  4  2
  5  1  1
  4  5  1
  2  3  1
  2  6  1
  6  7  2
  6  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  8  1
 12 13  1
M  END
> <Title>
ZINC01403376

> <SMILES>
c1c(nns1)C(=O)N2CCOCC2

$$$$
C11H11NO2
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  4  1
  7  8  1
  7  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
M  END
> <Title>
ZINC01404517

> <SMILES>
CCOc1cnc(o1)c2ccccc2

$$$$
C15H12O
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.8000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  END
> <Title>
ZINC01405437

> <SMILES>
C#Cc1ccc(cc1)OCc2ccccc2

$$$$
C9H17N2O3
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  3  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  1
 10  5  1
  9 10  1
  8  9  1
  8 11  1
 11 12  1
 12 13  2
 12 14  1
M  CHG  1   8   1
M  END
> <Title>
ZINC01405692

> <SMILES>
COC(=O)C1CC[NH+](CC1)CC(=O)N

$$$$
C8H9ClF2N2O
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 N   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 O   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    8.9331   -0.8972    0.0000 F   0  0  0
    7.2873   -3.1625    0.0000 F   0  0  0
    9.2428   -2.8527    0.0000 Cl  0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  1  2
  4  5  1
  4  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 11 13  1
 11 14  1
M  END
> <Title>
ZINC01406508

> <SMILES>
c1ccn(c1)CCNC(=O)C(F)(F)Cl

$$$$
C10H8ClN3
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 N   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 N   0  0  0
   -3.5000   -3.6373    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
 11 13  1
  3  4  2
  3 14  1
M  END
> <Title>
ZINC01407761

> <SMILES>
c1cc(ccc1c2ccnc(n2)N)Cl

$$$$
C9H11NO3
  MOLSOFT 11061513452D

 13 13  0  0  1  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  1
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 O   0  5  0
    4.9000   -1.2124    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  8  3  1
  7  8  2
  6  7  1
  9  6  1
 10 11  2
 10 12  1
  9 10  1
  9 13  1  1
M  CHG  2  12  -1  13   1
M  END
> <Title>
ZINC01420506

> <SMILES>
COc1ccc(cc1)[C@@H](C(=O)[O-])[NH3+]

$$$$
C10H6N4OS
  MOLSOFT 11061513452D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.2870    2.9229    0.0000 N   0  0  0
    4.6185    3.3555    0.0000 C   0  0  0
    5.4414    2.2229    0.0000 O   0  0  0
    4.6185    1.0903    0.0000 N   0  0  0
    5.0511    4.6870    0.0000 C   0  0  0
    4.1143    5.7274    0.0000 C   0  0  0
    4.5469    7.0589    0.0000 N   0  0  0
    5.9164    7.3500    0.0000 C   0  0  0
    6.8531    6.3096    0.0000 C   0  0  0
    6.4205    4.9781    0.0000 N   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  2
 10  6  2
  9 10  1
  8  9  1
  8 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
M  END
> <Title>
ZINC01421827

> <SMILES>
c1cc(sc1)c2nc(on2)c3cnccn3

$$$$
C13H14N2O2
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -0.0000   -6.2497    0.0000 C   0  0  0
   -1.2124   -5.5497    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 O   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 12 10  1
 11 12  1
  4  5  1
  4 13  1
 13 14  1
 14 15  2
 14 16  1
 17  3  1
 16 17  1
M  END
> <Title>
ZINC01425337

> <SMILES>
c1cc2c(cc1NC(=O)C3CC3)NC(=O)CC2

$$$$
C10H9NO3
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  3
M  END
> <Title>
ZINC01425998

> <SMILES>
COC(=O)COc1ccc(cc1)C#N

$$$$
C8H7N3O2S
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.2870    2.9229    0.0000 C   0  0  0
    4.6185    3.3555    0.0000 C   0  0  0
    5.4414    2.2229    0.0000 C   0  0  0
    4.6185    1.0903    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  2
  6  7  1
  9  5  1
  8  9  1
  7  8  2
  7 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
M  END
> <Title>
ZINC01426601

> <SMILES>
CNC(=O)c1nc(no1)c2cccs2

$$$$
C13H19NOS
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 N   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 O   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.5248    7.5992    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 11  1
 15 16  1
M  END
> <Title>
ZINC01428295

> <SMILES>
c1cc(sc1)CCNC(=O)C2CCCCC2

$$$$
C12H19NO3
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
    2.4193   -4.2032    0.0000 C   0  0  0
    1.2078   -3.5016    0.0000 C   0  0  0
    1.2096   -2.1016    0.0000 N   0  0  0
   -0.0019   -1.4000    0.0000 C   0  0  0
   -1.2152   -2.0984    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  2
   -1.2084   -0.6077    0.0000 C   0  0  0
   -0.6431    0.4240    0.0000 C   0  0  0
    0.3533    1.1236    0.0000 C   0  0  2
    0.1060    2.3885    0.0000 C   0  0  0
    1.2310    3.2218    0.0000 C   0  0  0
   -1.1300    3.0459    0.0000 C   0  0  0
    1.5900    0.3957    0.0000 C   0  0  0
    2.9283    0.8066    0.0000 O   0  0  0
    1.1307   -0.5724    0.0000 O   0  0  0
    1.4960    1.9324    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  4  1  6
  6  7  1
  7  8  1
  9  8  1
  6 10  1
 10 11  1
 10 12  1
  9 10  1
 13 14  2
  6 15  1
 13 15  1
  9 13  1
  9 16  1  1
M  END
> <Title>
ZINC01430732

> <SMILES>
CCNC(=O)[C@]12CC[C@](C1(C)C)(C(=O)O2)C

$$$$
C10H13NO5
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2
  8  3  2
  8  9  1
  9 10  1
  7  8  1
  7 11  1
 11 12  1
  5  6  1
  5 13  1
 13 14  2
 13 15  1
 15 16  1
M  END
> <Title>
ZINC01432265

> <SMILES>
COc1cc(cc(c1OC)OC)C(=O)NO

$$$$
C10H8ClN3
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 N   0  0  0
   -2.1000   -6.0622    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
  3  4  2
  3 14  1
M  END
> <Title>
ZINC01437381

> <SMILES>
c1cc(ccc1c2ccc(nn2)Cl)N

$$$$
C14H14O2
  MOLSOFT 11061513452D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  3  4  1
  3  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  1
M  END
> <Title>
ZINC01443094

> <SMILES>
c1cc(ccc1CO)c2ccc(cc2)CO

$$$$
C14H14N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000   -0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 N   0  0  0
   12.6000    2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  2
 15 17  1
 17 18  1
M  END
> <Title>
ZINC01452228

> <SMILES>
c1ccc(cc1)COc2ccc(cc2)C(=O)NN

$$$$
C7H11N3O2
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  4  6  1
  6  7  1
  7  8  1
  8  9  2
 11  7  2
 10 11  1
  9 10  1
  9 12  1
M  END
> <Title>
ZINC01452383

> <SMILES>
CCNC(=O)Nc1cc(on1)C

$$$$
C9H12FNO2S
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.4124   -1.7249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 S   0  0  0
   -2.9876   -3.1249    0.0000 O   0  0  0
   -4.9000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
  1  2  1
  2  3  2
  2  4  2
  2  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
M  END
> <Title>
ZINC01457001

> <SMILES>
CS(=O)(=O)NCCc1ccc(cc1)F

$$$$
C11H11NO3S
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  1
    7.1229    2.3451    0.0000 C   0  0  0
    8.4544    1.9124    0.0000 S   0  0  0
    9.8467    1.7661    0.0000 O   0  0  0
    8.7455    3.2818    0.0000 O   0  0  0
    8.4544    0.5124    0.0000 C   0  0  0
    7.1229    0.0798    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  2
  7  9  1
 10  9  1  1
 10 11  1
 11 12  1
 12 13  2
 12 14  2
 12 15  1
 10 16  1
 15 16  2
M  END
> <Title>
ZINC01462232

> <SMILES>
c1ccc(cc1)C(=O)N[C@H]2CS(=O)(=O)C=C2

$$$$
C14H12N2O2
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    5.7917    1.4000    0.0000 N   0  0  0
    5.7917    2.8000    0.0000 C   0  0  0
    4.5792    3.5000    0.0000 O   0  0  0
    7.0041    3.5000    0.0000 C   0  0  0
    7.1505    4.8923    0.0000 C   0  0  0
    8.5199    5.1834    0.0000 C   0  0  0
    9.2199    3.9710    0.0000 C   0  0  0
    8.2831    2.9306    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  1
  5  6  2
  7  8  2
  9  4  2
  8  9  1
 10  2  1
  9 10  1
  6  7  1
  6 11  1
 11 12  1
 12 13  2
 12 14  1
 14 15  2
 15 16  1
 16 17  2
 18 14  1
 17 18  1
M  END
> <Title>
ZINC01463264

> <SMILES>
Cc1cc2cc(ccc2[nH]1)NC(=O)c3ccco3

$$$$
C9H11F3N2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 F   0  0  0
    4.2000   -1.4000    0.0000 F   0  0  0
    5.6000   -0.0000    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  9  4  1
  8  9  2
  9 10  1
  7  8  1
  7 11  1
 11 12  1
 11 13  1
 11 14  1
M  END
> <Title>
ZINC01465976

> <SMILES>
CCNc1ccc(cc1N)C(F)(F)F

$$$$
C13H15NO4
  MOLSOFT 11061513452D

 18 20  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  2
    2.0923   -6.2085    0.0000 C   0  0  0
    2.3834   -7.5779    0.0000 C   0  0  0
    1.1710   -8.2779    0.0000 C   0  0  0
    0.1306   -7.3411    0.0000 O   0  0  0
    4.1694    0.2911    0.0000 O   0  0  0
    4.3157    1.6834    0.0000 C   0  0  0
    3.0368    2.2528    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 11  9  1  6
 11 12  1
 12 13  1
 13 14  1
 11 15  1
 14 15  1
  4  5  1
  4 16  1
 16 17  1
 18  3  1
 17 18  1
M  END
> <Title>
ZINC01466469

> <SMILES>
c1cc2c(cc1CNC(=O)[C@@H]3CCCO3)OCO2

$$$$
C13H24N2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC01466487

> <SMILES>
C1CCC(CC1)CCC(=O)NN2CCOCC2

$$$$
C12H15FN2O2
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  1
 10  5  1
  9 10  1
  8  9  1
  8 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  END
> <Title>
ZINC01466524

> <SMILES>
COC(=O)N1CCN(CC1)c2ccc(cc2)F

$$$$
C10H17NO3
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  END
> <Title>
ZINC01467774

> <SMILES>
COC(=O)CNC(=O)C1CCCCC1

$$$$
C11H15N3O
  MOLSOFT 11061513452D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  2
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    2.8000   -4.8497    0.0000 N   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
  2  1  1  6
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  2  7  1
  6  7  1
  7  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
M  END
> <Title>
ZINC01469218

> <SMILES>
C[C@@H]1CCCCN1C(=O)c2cnccn2

$$$$
C15H18N2O
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 O   0  0  0
    6.3000    6.0622    0.0000 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  2
 14 16  1
 16 17  1
 17 18  3
M  END
> <Title>
ZINC01471450

> <SMILES>
c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N

$$$$
C15H21NO2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    4.3306    2.4914    0.0000 C   0  0  0
    5.3710    3.4282    0.0000 C   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  2
 12 14  1
 14 15  1
 15 16  1
 16 17  1
 18 14  1
 17 18  1
M  END
> <Title>
ZINC01476177

> <SMILES>
CC(C)COc1ccc(cc1)C(=O)N2CCCC2

$$$$
C8H13N2O2S
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.3124   -0.5124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 S   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
   -2.8000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  3  0
  1  2  1
  2  3  2
  2  4  2
  2  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  1
M  CHG  1  13   1
M  END
> <Title>
ZINC01494962

> <SMILES>
CS(=O)(=O)Nc1ccc(cc1)C[NH3+]

$$$$
C12H13N3OS
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 N   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 N   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 N   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    8.9501    5.6374    0.0000 O   0  0  0
    9.0965    4.2451    0.0000 C   0  0  0
    7.9638    3.4222    0.0000 C   0  0  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 12 13  1
 13 14  1
 14 15  1
 15 16  1
 17 12  1
 16 17  1
M  END
> <Title>
ZINC01495172

> <SMILES>
c1cc(sc1)c2cnc(nc2)N3CCOCC3

$$$$
C14H15N3O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    9.1000    2.6124    0.0000 C   0  0  0
   10.3124    1.9124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  1
 16 17  1
 18 16  1
 17 18  1
M  END
> <Title>
ZINC01495285

> <SMILES>
COc1ccc(cc1)c2cnc(nc2)NC3CC3

$$$$
C12H14N3
  MOLSOFT 11061513452D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  3
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  1  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 12 13  2
 14  5  2
 13 14  1
  6  7  2
  2 15  1
  6 15  1
M  CHG  1   2   1
M  END
> <Title>
ZINC01495598

> <SMILES>
C[NH+]1CCc2c(cc3cccnc3n2)C1

$$$$
C11H6ClN2O3
  MOLSOFT 11061513452D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 O   0  5  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 N   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    4.8497    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  3  4  2
  6  1  1
  5  6  2
  5  7  1
  7  8  2
  7  9  1
  4  5  1
  4 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
M  CHG  1   9  -1
M  END
> <Title>
ZINC01496337

> <SMILES>
c1ccc(c(c1)C(=O)[O-])Oc2ncc(cn2)Cl

$$$$
C13H8FN3O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.0923   -6.2085    0.0000 N   0  0  0
    2.3834   -7.5779    0.0000 N   0  0  0
    1.1710   -8.2779    0.0000 C   0  0  0
    0.1306   -7.3411    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  2
  2  3  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
 10 11  2
 12  7  2
 11 12  1
  9 10  1
  9 13  1
 13 14  2
 14 15  1
 15 16  2
 17 13  1
 16 17  1
  3  4  2
  3 18  1
M  END
> <Title>
ZINC01497325

> <SMILES>
c1cc(ccc1c2cc(cnc2)c3nnco3)F

$$$$
C12H9N5
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 N   0  0  0
   -1.3923   -2.5712    0.0000 N   0  0  0
    1.9388   -3.9949    0.0000 C   0  0  0
    2.8756   -2.9545    0.0000 C   0  0  0
    4.2450   -3.2456    0.0000 N   0  0  0
    4.6777   -4.5771    0.0000 C   0  0  0
    3.7409   -5.6175    0.0000 C   0  0  0
    2.3715   -5.3264    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  9 10  1
 11  7  2
 10 11  1
  8  9  2
  8 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Title>
ZINC01501096

> <SMILES>
c1cnccc1c2c(c[nH]n2)c3cnccn3

$$$$
C12H14N2O
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    5.5282   -2.3834    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 10 12  1
 12 13  2
 14  9  1
 13 14  1
 13 15  1
M  END
> <Title>
ZINC01501170

> <SMILES>
CCC(=O)Nc1ccc2c(c1)cc([nH]2)C

$$$$
C14H18N3O
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.2368    4.6777    0.0000 C   0  0  0
    8.5157    4.1083    0.0000 C   0  0  0
    8.3694    2.7159    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 17 13  2
 16 17  1
 18 10  2
 17 18  1
M  CHG  1   2   1
M  END
> <Title>
ZINC01501734

> <SMILES>
C[NH+]1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2

$$$$
C14H12N4
  MOLSOFT 11061513452D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    5.0229   -1.2922    0.0000 C   0  0  0
    6.3544   -1.7249    0.0000 C   0  0  0
    6.3544   -3.1249    0.0000 C   0  0  0
    5.0229   -3.5575    0.0000 N   0  0  0
    7.4870   -0.9020    0.0000 C   0  0  0
    7.3407    0.4904    0.0000 C   0  0  0
    8.4733    1.3133    0.0000 C   0  0  0
    9.7522    0.7438    0.0000 N   0  0  0
    9.8986   -0.6485    0.0000 C   0  0  0
    8.7660   -1.4714    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  1
  8  9  1
  9 10  2
 12  8  1
 11 12  2
 10 11  1
 10 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
M  END
> <Title>
ZINC01501850

> <SMILES>
c1ccnc(c1)Cn2cc(cn2)c3ccncc3

$$$$
C8H7N3
  MOLSOFT 11061513452D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.1923   -2.5712    0.0000 C   0  0  0
    4.4834   -3.9406    0.0000 N   0  0  0
    3.2710   -4.6406    0.0000 N   0  0  0
    2.2306   -3.7038    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  5  7  1
  7  8  2
  8  9  1
  9 10  1
 11  7  1
 10 11  2
M  END
> <Title>
ZINC01502377

> <SMILES>
c1ccnc(c1)c2c[nH]nc2

$$$$
C14H19N2O
  MOLSOFT 11061513452D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    4.7318    2.5020    0.0000 C   0  0  0
    5.7722    3.4388    0.0000 C   0  0  0
    7.1037    3.0062    0.0000 C   0  0  0
    7.3948    1.6368    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 C   0  0  0
    4.5903   -2.4641    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  5  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
 16  8  1
 15 16  1
 16 17  2
M  CHG  1   2   1
M  END
> <Title>
ZINC01503005

> <SMILES>
C[NH+]1CCC(CC1)N2c3ccccc3CC2=O

$$$$
C12H23N2O2
  MOLSOFT 11061513452D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  3  3
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  2
    4.9000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    8.4000   -2.4249    0.0000 O   0  5  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  7  2  1
  6  7  1
  5  6  1
  8  5  1
  8  9  1
  9 10  1
 10 11  1
 12 11  1
  8 13  1
 12 13  1
 12 14  1  1
 14 15  2
 14 16  1
M  CHG  3   2   1   8   1  16  -1
M  END
> <Title>
ZINC01503145

> <SMILES>
C[NH+]1CCC(CC1)[NH+]2CCC[C@H](C2)C(=O)[O-]

$$$$
C12H10N4
  MOLSOFT 11061513452D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 N   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    7.9638    3.4222    0.0000 C   0  0  0
    8.1102    2.0298    0.0000 C   0  0  0
    6.9776    1.2069    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  6  2  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 16  7  2
 15 16  1
M  END
> <Title>
ZINC01504298

> <SMILES>
Cn1cc(cn1)c2cnc3ccccc3n2

$$$$
C8H8N4
  MOLSOFT 11061513452D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 N   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  6  2  1
  5  6  2
  4  5  1
  4  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
M  END
> <Title>
ZINC01504399

> <SMILES>
Cn1cc(cn1)c2cnccn2

$$$$
C10H10N2O
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 N   0  0  0
    6.3544   -0.7000    0.0000 N   0  0  0
    5.0229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  2
 10 11  1
 11 12  1
 13  9  1
 12 13  2
M  END
> <Title>
ZINC01504443

> <SMILES>
COc1ccc(cc1)c2c[nH]nc2

$$$$
C10H11N3O
  MOLSOFT 11061513452D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 N   0  0  0
   -1.6834   -3.9406    0.0000 N   0  0  0
   -1.3923   -2.5712    0.0000 C   0  0  0
   -2.9624   -4.5100    0.0000 C   0  0  0
   -3.1087   -5.9024    0.0000 C   0  0  0
   -4.3877   -6.4718    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 11  7  2
 10 11  1
 10 12  1
 12 13  1
 13 14  1
M  END
> <Title>
ZINC01504718

> <SMILES>
c1cnccc1c2cnn(c2)CCO

$$$$
C5H7N3OS2
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
    3.2870    1.5229    0.0000 S   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  2
  6  7  1
  9  5  1
  8  9  1
  7  8  2
  7 10  1
 10 11  1
M  END
> <Title>
ZINC01511088

> <SMILES>
CC(=O)Nc1nc(ns1)SC

$$$$
C11H10N2O2
  MOLSOFT 11061513452D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -2.2770    6.7496    0.0000 N   0  0  0
   -0.9076    6.4585    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  2  1
  5  6  1
  3  4  1
  3  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
M  END
> <Title>
ZINC01516906

> <SMILES>
Cc1c(cco1)C(=O)Nc2ccncc2

$$$$
C10H9NOS
  MOLSOFT 11061513452D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 S   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  2
 10 11  1
 11 12  1
 13  9  1
 12 13  2
M  END
> <Title>
ZINC01520046

> <SMILES>
COc1ccc(cc1)c2cscn2

$$$$
C10H21N2O2
  MOLSOFT 11061513452D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  3  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 O   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  1
  9  4  1
  8  9  1
  7  8  1
  7 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
M  CHG  1  10   1
M  END
> <Title>
ZINC01529114

> <SMILES>
CC(=O)N1CCC(CC1)[NH2+]CCOC

$$$$
C9H14NO
  MOLSOFT 11061513452D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  3  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
M  CHG  1   2   1
M  END
> <Title>
ZINC01529432

> <SMILES>
C[NH2+]CCc1ccc(cc1)O

$$$$
C11H14N2O2S
  MOLSOFT 11061513452D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    5.6000   -0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  2
  8 10  2
  8 11  1
 11 12  1
 11 13  1
 13 14  1
 14 15  1
 15 16  3
M  END
> <Title>
ZINC01555639

> <SMILES>
Cc1ccc(cc1)S(=O)(=O)N(C)CCC#N

$$$$
C12H17NO2
  MOLSOFT 11061513452D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 12 13  2
 13 14  1
 14 15  1
M  END
> <Title>
ZINC01556644

> <SMILES>
CC(C)CC(=O)Nc1ccccc1OC

$$$$
C12H17N3O2
  MOLSOFT 11061513452D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 N   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 14 15  2
 14 16  1
 16 17  1
M  END
> <Title>
ZINC01558832

> <SMILES>
CC(C)NC(=O)c1ccc(cc1)NC(=O)NC

$$$$
C14H20N2O2
  MOLSOFT 11061513452D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  3  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000    0.0000    0.0000 O   0  0  0
   11.2000    2.4249    0.0000 O   0  5  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  5  6  1
  5  8  1
  8  9  1
  9 10  1
 10 11  1
 13  8  1
 12 13  1
 11 12  1
 11 14  1
 14 15  1
 15 16  1
 16 17  2
 16 18  1
M  CHG  2  11   1  18  -1
M  END
> <Title>
ZINC01561663

> <SMILES>
Cc1ccc(cc1)N2CC[NH+](CC2)CCC(=O)[O-]

$$$$
C9H20N
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  3  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
 10  5  1
  9 10  1
M  CHG  1   2   1
M  END
> <Title>
ZINC01562012

> <SMILES>
C[NH2+]CCC1CCCCC1

$$$$
C9H13N2O2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 N   0  3  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  1
M  CHG  1  13   1
M  END
> <Title>
ZINC01566885

> <SMILES>
COc1ccc(cc1)NC(=O)C[NH3+]

$$$$
C7H13N2O
  MOLSOFT 11061513452D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  3  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -0.7000   -6.0622    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  3
M  CHG  1   6   1
M  END
> <Title>
ZINC01571069

> <SMILES>
C1COCC[NH+]1CCC#N

$$$$
C11H14N2
  MOLSOFT 11061513452D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -4.9000   -3.6373    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  1
  6  7  3
  3  4  1
  3  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
M  END
> <Title>
ZINC01574332

> <SMILES>
CCN(CCC#N)c1ccccc1

$$$$
C7H16N
  MOLSOFT 11061513452D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  3  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  8  3  1
  7  8  1
M  CHG  1   3   1
M  END
> <Title>
ZINC01577159

> <SMILES>
CC[NH+]1CCCCC1

$$$$
C8H13N2OS
  MOLSOFT 11061513452D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 N   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 N   0  3  0
  1  2  1
  2  3  2
  5  1  2
  4  5  1
  3  4  1
  3  6  1
  6  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  1
M  CHG  1  12   1
M  END
> <Title>
ZINC01577294

> <SMILES>
c1cc(sc1)CC(=O)NCC[NH3+]

$$$$
