C17H17NO6S
  MOLSOFT 06241911502D

 25 26  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 S   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 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 O   0  0  0
   14.0000   -0.0000    0.0000 O   0  0  0
   10.5000   -3.6373    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   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 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
 10 11  1
 10 24  2
 10 25  2
M  END
> <idnumber>
Z1336450170

> <smiles>
COc1cccc(c1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
1

> <ord>
1

> <cl>
1

$$$$
C19H21NO8S
  MOLSOFT 06241911502D

 29 30  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
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -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  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -5.6000   -0.0000    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
   -1.4000    4.8497    0.0000 N   0  0  0
   -0.0000    4.8497    0.0000 S   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    2.1000    3.6373    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
    3.5000    6.0622    0.0000 C   0  0  0
    2.1000    6.0622    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
    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 O   0  0  0
    9.8000    2.4249    0.0000 O   0  0  0
    6.3000    6.0622    0.0000 O   0  0  0
   -0.0000    6.2497    0.0000 O   0  0  0
   -0.0000    3.4497    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  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
M  END
> <idnumber>
Z1336450640

> <smiles>
COc1cc(cc(c1OC)OC)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
4

> <ord>
2

> <cl>
1

$$$$
C20H23NO6S
  MOLSOFT 06241911502D

 28 29  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  3
   -1.4000   -2.4249    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 S   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 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 O   0  0  0
   14.0000   -0.0000    0.0000 O   0  0  0
   10.5000   -3.6373    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
  1  2  1
  3  2  1
  3  4  1
  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
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 13 14  1
 13 27  2
 13 28  2
M  END
> <idnumber>
Z1359455988

> <smiles>
CCC(C)Oc1cccc(c1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
58

> <ord>
3

> <cl>
2

$$$$
C19H17NO6S
  MOLSOFT 06241911502D

 27 28  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
   -2.1000   -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 S   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 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 O   0  0  0
   14.0000   -0.0000    0.0000 O   0  0  0
   10.5000   -3.6373    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
  1  2  3
  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
  9 11  1
 11 12  1
 13 14  1
 14 15  2
 15 16  1
 18 13  2
 17 18  1
 16 17  2
 16 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 12 13  1
 12 26  2
 12 27  2
M  END
> <idnumber>
Z1359463845

> <smiles>
C#CCOc1cccc(c1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
74

> <ord>
4

> <cl>
2

$$$$
C19H19NO8S
  MOLSOFT 06241911502D

 29 30  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 C   0  0  0
    2.8000   -0.0000    0.0000 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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  6  7  2
  9  4  1
  8  9  2
  9 10  1
 10 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
  7  8  1
  7 27  1
 27 28  1
  3  4  1
  3 29  2
M  END
> <idnumber>
Z1359464128

> <smiles>
COC(c1ccc(cc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)OC)=O

> <CO>
77

> <ord>
5

> <cl>
3

$$$$
C18H19NO6S
  MOLSOFT 06241911502D

 26 27  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 S   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 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    7.0000    9.6995    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 O   0  0  0
    7.7000   10.9119    0.0000 O   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    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
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1336450270

> <smiles>
CCOc1ccc(cc1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
2

> <ord>
6

> <cl>
4

$$$$
C18H19NO6S
  MOLSOFT 06241911502D

 26 27  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 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    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
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
M  END
> <idnumber>
Z1373577243

> <smiles>
CCOc1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
145

> <ord>
7

> <cl>
4

$$$$
C19H21NO6S
  MOLSOFT 06241911502D

 27 28  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    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 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    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
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
M  END
> <idnumber>
Z1413958489

> <smiles>
CCCOc1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
209

> <ord>
8

> <cl>
4

$$$$
C19H21NO6S
  MOLSOFT 06241911502D

 27 28  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
    2.8000   -2.4249    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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  8  9  1
 10  4  2
  8 10  1
  7  8  2
  7 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
M  END
> <idnumber>
Z1413958308

> <smiles>
CCOc1ccc(c(C)c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
189

> <ord>
9

> <cl>
4

$$$$
C21H23NO6S
  MOLSOFT 06241911502D

 29 31  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 O   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
    8.4029    0.7548    0.0000 S   0  0  0
    9.6818    1.3243    0.0000 N   0  0  0
    9.8282    2.7166    0.0000 C   0  0  0
    8.6955    3.5395    0.0000 C   0  0  0
    8.8419    4.9318    0.0000 C   0  0  0
   10.1208    5.5012    0.0000 C   0  0  0
   11.2535    4.6783    0.0000 C   0  0  0
   11.1071    3.2860    0.0000 C   0  0  0
   12.5324    5.2478    0.0000 C   0  0  0
   12.6788    6.6401    0.0000 C   0  0  0
   13.9577    7.2095    0.0000 C   0  0  0
   14.1041    8.6019    0.0000 C   0  0  0
   12.9714    9.4248    0.0000 O   0  0  0
   15.3830    9.1713    0.0000 O   0  0  0
   13.6651    4.4249    0.0000 O   0  0  0
    7.8334    2.0338    0.0000 O   0  0  0
    8.9723   -0.5241    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  1  1
  4  5  1
  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
 14 15  1
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 20 15  2
 19 20  1
 19 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 13 14  1
 13 28  2
 13 29  2
M  END
> <idnumber>
Z1413958844

> <smiles>
C1CCC(C1)Oc1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
243

> <ord>
10

> <cl>
4

$$$$
C23H21NO6S
  MOLSOFT 06241911502D

 31 33  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   -0.0000    0.0000 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
    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 O   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   14.0000   -0.0000    0.0000 C   0  0  0
   14.7000   -1.2124    0.0000 C   0  0  0
   14.0000   -2.4249    0.0000 C   0  0  0
   12.6000   -2.4249    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 18 19  1
 19 20  1
 20 21  1
 21 22  2
 22 23  1
 23 24  2
 25 20  2
 24 25  1
 11 12  1
 11 26  2
 11 27  2
  3  4  1
  3 28  2
  1  2  1
  1 29  1
 29 30  1
 29 31  2
M  END
> <idnumber>
Z1413958743

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(cc1)OCc1ccccc1)(=O)=O)=O)C(O)=O

> <CO>
232

> <ord>
11

> <cl>
4

$$$$
C19H19NO8S
  MOLSOFT 06241911502D

 29 30  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    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 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  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
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
  3  4  1
  3 29  2
M  END
> <idnumber>
Z1373577173

> <smiles>
COC(COc1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
95

> <ord>
12

> <cl>
5

$$$$
C19H21NO6S
  MOLSOFT 06241911502D

 27 28  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
    2.8000   -2.4249    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 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  6  7  1
  8  2  2
  6  8  1
  8  9  1
  9 10  1
  4  5  1
  4 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
M  END
> <idnumber>
Z1413957906

> <smiles>
Cc1cc(cc(C)c1OC)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
157

> <ord>
13

> <cl>
6

$$$$
C19H21NO6S
  MOLSOFT 06241911502D

 27 28  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
    2.8000   -2.4249    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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    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
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  6  7  1
  8  2  2
  6  8  1
  8  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  4  5  1
  4 26  1
 26 27  1
M  END
> <idnumber>
Z1413958226

> <smiles>
Cc1cc(cc(C)c1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)OC

> <CO>
182

> <ord>
14

> <cl>
6

$$$$
C20H23NO6S
  MOLSOFT 06241911502D

 28 29  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 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    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
 10  5  1
  9 10  2
 10 11  1
  8  9  1
  8 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
M  END
> <idnumber>
Z1413959154

> <smiles>
CC(C)Oc1ccc(cc1C)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
266

> <ord>
15

> <cl>
6

$$$$
C17H15F2NO7S2
  MOLSOFT 06241911502D

 29 30  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    4.8497    0.0000 S   0  0  0
    9.1000    6.0622    0.0000 C   0  0  0
   10.5000    6.0622    0.0000 F   0  0  0
    8.4000    7.2746    0.0000 F   0  0  0
    7.1876    5.5497    0.0000 O   0  0  0
    9.6124    4.1497    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 19 20  1
 19 21  1
 18 19  1
 18 22  2
 18 23  2
 10 11  1
 10 24  2
 10 25  2
  3  4  1
  3 26  2
  1  2  1
  1 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1359446324

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(cc1)S(C(F)F)(=O)=O)(=O)=O)=O)C(O)=O

> <CO>
35

> <ord>
16

> <cl>
7

$$$$
C17H14F3NO5S2
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 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
    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 S   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
    9.2876   -0.5124    0.0000 F   0  0  0
   11.7124   -1.9124    0.0000 F   0  0  0
   11.2000   -0.0000    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 18 19  1
 19 20  1
 19 21  1
 19 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1413957998

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(cc1)SC(F)(F)F)(=O)=O)=O)C(O)=O

> <CO>
167

> <ord>
17

> <cl>
7

$$$$
C17H14F3NO6S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 O   0  0  0
    9.8000   -4.8497    0.0000 C   0  0  0
    9.8000   -6.2497    0.0000 F   0  0  0
    9.8000   -3.4497    0.0000 F   0  0  0
   11.2000   -4.8497    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 18 19  1
 19 20  1
 19 21  1
 19 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1373577171

> <smiles>
C(CC(c1cccc(c1)NS(c1cccc(c1)OC(F)(F)F)(=O)=O)=O)C(O)=O

> <CO>
94

> <ord>
18

> <cl>
8

$$$$
C17H14F3NO6S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 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
    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 O   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
    9.2876   -0.5124    0.0000 F   0  0  0
   11.7124   -1.9124    0.0000 F   0  0  0
   11.2000   -0.0000    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 18 19  1
 19 20  1
 19 21  1
 19 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1373577208

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(cc1)OC(F)(F)F)(=O)=O)=O)C(O)=O

> <CO>
122

> <ord>
19

> <cl>
8

$$$$
C18H19NO7S2
  MOLSOFT 06241911502D

 28 29  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
   -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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
   -2.8000   -2.4249    0.0000 O   0  0  0
  1  2  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
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
  2  3  1
  2 27  2
  2 28  2
M  END
> <idnumber>
Z1336456882

> <smiles>
CS(Cc1ccccc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)(=O)=O

> <CO>
31

> <ord>
20

> <cl>
9

$$$$
C19H21NO5S2
  MOLSOFT 06241911502D

 27 28  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 S   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 N   0  0  0
    4.2000   -2.4249    0.0000 S   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 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 O   0  0  0
   14.0000   -0.0000    0.0000 O   0  0  0
   10.5000   -3.6373    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    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
  8  9  2
 10  5  2
  9 10  1
  9 11  1
 11 12  1
 13 14  1
 14 15  2
 15 16  1
 18 13  2
 17 18  1
 16 17  2
 16 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 12 13  1
 12 26  2
 12 27  2
M  END
> <idnumber>
Z1359466544

> <smiles>
CCSCc1cccc(c1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
82

> <ord>
21

> <cl>
10

$$$$
C18H19NO7S2
  MOLSOFT 06241911502D

 28 29  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
   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
   -2.8000   -2.4249    0.0000 O   0  0  0
  1  2  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
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  2  3  1
  2 27  2
  2 28  2
M  END
> <idnumber>
Z1413958680

> <smiles>
CS(Cc1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)(=O)=O

> <CO>
223

> <ord>
22

> <cl>
10

$$$$
C19H18F3NO6S
  MOLSOFT 06241911502D

 30 31  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    7.7000    3.6373    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    7.7000    6.0622    0.0000 O   0  0  0
    8.4000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    6.4876    7.7870    0.0000 F   0  0  0
    8.9124    9.1870    0.0000 F   0  0  0
    7.0000    9.6995    0.0000 F   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 16 17  1
 17 18  1
 18 19  1
 19 20  1
 19 21  1
 19 22  1
 15 16  1
 15 23  2
 24 12  2
 23 24  1
 10 11  1
 10 25  2
 10 26  2
  3  4  1
  3 27  2
  1  2  1
  1 28  1
 28 29  1
 28 30  2
M  END
> <idnumber>
Z1359450471

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(COCC(F)(F)F)cc1)(=O)=O)=O)C(O)=O

> <CO>
40

> <ord>
23

> <cl>
11

$$$$
C19H21NO6S
  MOLSOFT 06241911502D

 27 28  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    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 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    7.0000    9.6995    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 O   0  0  0
    7.7000   10.9119    0.0000 O   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    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
 11 12  1
 13 14  1
 14 15  2
 15 16  1
 18 13  2
 17 18  1
 16 17  2
 16 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 12 13  1
 12 26  2
 12 27  2
M  END
> <idnumber>
Z1359467990

> <smiles>
CCOCc1ccc(cc1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
90

> <ord>
24

> <cl>
11

$$$$
C19H19NO7S
  MOLSOFT 06241911502D

 28 29  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    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
    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  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  7  8  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
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
  5  6  1
  5 25  1
 25 26  2
 25 27  1
 27 28  1
M  END
> <idnumber>
Z1373577170

> <smiles>
Cc1ccc(cc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(=O)OC

> <CO>
93

> <ord>
25

> <cl>
12

$$$$
C20H21NO7S
  MOLSOFT 06241911502D

 29 30  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 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    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  0  0
    2.8000    4.8497    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
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  4  5  1
  4 26  1
 26 27  2
 26 28  1
 28 29  1
M  END
> <idnumber>
Z1413958630

> <smiles>
Cc1cc(cc(c1C)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(=O)OC

> <CO>
219

> <ord>
26

> <cl>
12

$$$$
C19H19NO7S
  MOLSOFT 06241911502D

 28 29  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    0.0000 O   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 C   0  0  0
  1  2  1
  2  3  2
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  7  8  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
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
  3  4  1
  3 25  1
 25 26  2
 25 27  1
 27 28  1
M  END
> <idnumber>
Z1413958332

> <smiles>
Cc1c(cccc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(=O)OC

> <CO>
190

> <ord>
27

> <cl>
12

$$$$
C19H19NO7S
  MOLSOFT 06241911502D

 28 29  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
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 O   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   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  2
  8 10  1
 10 11  1
  4  5  2
  4 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
M  END
> <idnumber>
Z1413959205

> <smiles>
Cc1cc(ccc1C(=O)OC)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
270

> <ord>
28

> <cl>
12

$$$$
C18H17NO7S
  MOLSOFT 06241911502D

 27 28  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 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  3  4  1
  3 27  2
M  END
> <idnumber>
Z1373577184

> <smiles>
COC(c1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
104

> <ord>
29

> <cl>
12

$$$$
C18H17NO7S
  MOLSOFT 06241911502D

 27 28  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 C   0  0  0
    2.8000   -0.0000    0.0000 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
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  8 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  3  4  1
  3 27  2
M  END
> <idnumber>
Z1373577244

> <smiles>
COC(c1cccc(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
146

> <ord>
30

> <cl>
12

$$$$
C19H19NO7S
  MOLSOFT 06241911502D

 28 29  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  8  9  2
  8 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  4  5  1
  4 28  2
M  END
> <idnumber>
Z1373577199

> <smiles>
CCOC(c1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
115

> <ord>
31

> <cl>
12

$$$$
C18H17NO7S
  MOLSOFT 06241911502D

 27 28  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 C   0  0  0
    2.8000   -0.0000    0.0000 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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  6  7  2
  7  8  1
  9  4  1
  8  9  2
  9 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  3  4  1
  3 27  2
M  END
> <idnumber>
Z1413957926

> <smiles>
COC(c1ccccc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
158

> <ord>
32

> <cl>
12

$$$$
C19H19NO8S
  MOLSOFT 06241911502D

 29 30  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 C   0  0  0
    2.8000   -0.0000    0.0000 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 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  7  8  1
  9  4  1
  8  9  2
  9 10  1
 10 11  1
  6  7  2
  6 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
  3  4  1
  3 29  2
M  END
> <idnumber>
Z1413958346

> <smiles>
COC(c1cc(ccc1OC)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
193

> <ord>
33

> <cl>
13

$$$$
C18H16ClNO7S
  MOLSOFT 06241911502D

 28 29  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 C   0  0  0
    2.8000   -0.0000    0.0000 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
    2.8000    2.4249    0.0000 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  7  8  1
  9  4  1
  8  9  2
  9 10  1
  6  7  2
  6 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  3  4  1
  3 28  2
M  END
> <idnumber>
Z1413957938

> <smiles>
COC(c1cc(ccc1[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
160

> <ord>
34

> <cl>
14

$$$$
C19H18FNO7S
  MOLSOFT 06241911502D

 29 30  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  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
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
  4  5  1
  4 29  2
M  END
> <idnumber>
Z1413958411

> <smiles>
CCOC(c1cc(ccc1F)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
203

> <ord>
35

> <cl>
14

$$$$
C18H15F2NO7S
  MOLSOFT 06241911502D

 29 30  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 C   0  0  0
    2.8000   -0.0000    0.0000 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 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  9  4  1
  8  9  2
  9 10  1
  7  8  1
  7 11  1
  6  7  2
  6 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
  3  4  1
  3 29  2
M  END
> <idnumber>
Z1413958669

> <smiles>
COC(c1cc(c(cc1F)F)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
221

> <ord>
36

> <cl>
14

$$$$
C16H14FNO5S
  MOLSOFT 06241911502D

 24 25  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 F   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 10 11  1
 10 19  2
 10 20  2
  3  4  1
  3 21  2
  1  2  1
  1 22  1
 22 23  1
 22 24  2
M  END
> <idnumber>
Z1336450386

> <smiles>
C(CC(c1ccc(cc1)S(Nc1cccc(c1)F)(=O)=O)=O)C(O)=O

> <CO>
3

> <ord>
37

> <cl>
15

$$$$
C16H13F2NO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 F   0  0  0
    8.4000    4.8497    0.0000 F   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 16 18  1
 15 16  2
 15 19  1
 10 11  1
 10 20  2
 10 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1336451289

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(c(c1)F)F)(=O)=O)=O)C(O)=O

> <CO>
6

> <ord>
38

> <cl>
15

$$$$
C17H16FNO5S
  MOLSOFT 06241911502D

 25 26  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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 F   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
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  9 10  1
  9 23  2
  9 24  2
  4  5  2
  4 25  1
M  END
> <idnumber>
Z1336452517

> <smiles>
Cc1cc(ccc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)F

> <CO>
13

> <ord>
39

> <cl>
15

$$$$
C17H16BrNO5S
  MOLSOFT 06241911502D

 25 26  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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 Br  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
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  9 10  1
  9 23  2
  9 24  2
  5  6  1
  5 25  1
M  END
> <idnumber>
Z1359453637

> <smiles>
Cc1ccc(cc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)[Br]

> <CO>
51

> <ord>
40

> <cl>
15

$$$$
C16H13ClFNO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    0.0000    0.0000 F   0  0  0
    8.4000    4.8497    0.0000 Cl  0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 17 12  1
 16 17  2
 17 18  1
 15 16  1
 15 19  1
 10 11  1
 10 20  2
 10 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1336451425

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(cc1F)[Cl])(=O)=O)=O)C(O)=O

> <CO>
10

> <ord>
41

> <cl>
16

$$$$
C16H12BrF2NO5S
  MOLSOFT 06241911502D

 26 27  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    0.0000    0.0000 F   0  0  0
    8.4000    4.8497    0.0000 Br  0  0  0
    4.2000    2.4249    0.0000 F   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  2
 14 15  2
 17 12  1
 16 17  2
 17 18  1
 15 16  1
 15 19  1
 13 14  1
 13 20  1
 10 11  1
 10 21  2
 10 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1359467032

> <smiles>
C(CC(c1ccc(cc1)S(Nc1c(cc(cc1F)[Br])F)(=O)=O)=O)C(O)=O

> <CO>
87

> <ord>
42

> <cl>
16

$$$$
C16H14Cl2N2O5S
  MOLSOFT 06241911502D

 26 27  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 Cl  0  0  0
    8.4000    4.8497    0.0000 N   0  0  0
    5.6000    4.8497    0.0000 Cl  0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  1
 13 14  2
 17 12  2
 16 17  1
 16 18  1
 15 16  2
 15 19  1
 14 15  1
 14 20  1
 10 11  1
 10 21  2
 10 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1336453505

> <smiles>
C(CC(c1ccc(cc1)S(Nc1cc(c(c(c1)[Cl])N)[Cl])(=O)=O)=O)C(O)=O

> <CO>
17

> <ord>
43

> <cl>
17

$$$$
C19H21NO5S
  MOLSOFT 06241911502D

 26 27  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
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  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
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1336451128

> <smiles>
CC(C)c1ccccc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
5

> <ord>
44

> <cl>
18

$$$$
C22H27NO5S
  MOLSOFT 06241911502D

 29 30  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
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    4.2000   -2.4249    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
    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 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    7.0000    9.6995    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 O   0  0  0
    7.7000   10.9119    0.0000 O   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    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
  8 10  1
 10 11  1
 10 12  1
  7  8  2
  7 13  1
 13 14  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
M  END
> <idnumber>
Z1359451590

> <smiles>
CC(C)c1ccc(c(c1)C(C)C)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
45

> <ord>
45

> <cl>
18

$$$$
C18H16F3NO5S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    0.0000    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 C   0  0  0
    9.8000   -1.4000    0.0000 F   0  0  0
    9.8000    1.4000    0.0000 F   0  0  0
   11.2000    0.0000    0.0000 F   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 18 19  1
 19 20  1
 19 21  1
 19 22  1
 10 11  1
 10 23  2
 10 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1359466959

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccccc1CC(F)(F)F)(=O)=O)=O)C(O)=O

> <CO>
85

> <ord>
46

> <cl>
18

$$$$
C20H21NO7S
  MOLSOFT 06241911502D

 29 30  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   -0.0000    0.0000 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  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 S   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 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    7.0000    9.6995    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 O   0  0  0
    7.7000   10.9119    0.0000 O   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    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
  8 10  1
 10 11  1
 10 12  2
  7  8  2
  7 13  1
 13 14  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
M  END
> <idnumber>
Z1359452904

> <smiles>
CCCc1ccc(c(c1)C(O)=O)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
46

> <ord>
47

> <cl>
19

$$$$
C18H19NO5S
  MOLSOFT 06241911502D

 25 26  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
    2.8000   -0.0000    0.0000 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
    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 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 O   0  0  0
   14.0000   -0.0000    0.0000 O   0  0  0
   10.5000   -3.6373    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  4  6  1
  6  7  2
  8  2  2
  7  8  1
  7  9  1
  9 10  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
 10 11  1
 10 24  2
 10 25  2
M  END
> <idnumber>
Z1336451406

> <smiles>
Cc1cc(C)cc(c1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
9

> <ord>
48

> <cl>
20

$$$$
C19H21NO5S
  MOLSOFT 06241911502D

 26 27  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
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 S   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 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 O   0  0  0
   14.0000   -0.0000    0.0000 O   0  0  0
   10.5000   -3.6373    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    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  4  2
  8  9  1
  8 10  1
 10 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1336453184

> <smiles>
CC(C)c1cccc(c1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
15

> <ord>
49

> <cl>
20

$$$$
C19H21NO5S
  MOLSOFT 06241911502D

 26 27  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    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
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
M  END
> <idnumber>
Z1373577198

> <smiles>
CCCc1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
114

> <ord>
50

> <cl>
20

$$$$
C18H19NO5S
  MOLSOFT 06241911502D

 25 26  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
    2.8000   -2.4249    0.0000 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   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
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
M  END
> <idnumber>
Z1413958354

> <smiles>
CCc1cccc(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
197

> <ord>
51

> <cl>
20

$$$$
C16H15NO5S
  MOLSOFT 06241911502D

 23 24  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   -0.0000    0.0000 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
    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
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 11 12  1
 11 18  2
 11 19  2
  3  4  1
  3 20  2
  1  2  1
  1 21  1
 21 22  1
 21 23  2
M  END
> <idnumber>
Z1373577222

> <smiles>
C(CC(c1cccc(c1)NS(c1ccccc1)(=O)=O)=O)C(O)=O

> <CO>
132

> <ord>
52

> <cl>
20

$$$$
C18H17NO6S
  MOLSOFT 06241911502D

 26 27  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
    2.8000   -2.4249    0.0000 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  7  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  2  3  1
  2 26  2
M  END
> <idnumber>
Z1373577226

> <smiles>
CC(c1cccc(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
135

> <ord>
53

> <cl>
20

$$$$
C18H17NO6S
  MOLSOFT 06241911502D

 26 27  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 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  2  3  1
  2 26  2
M  END
> <idnumber>
Z1373577246

> <smiles>
CC(c1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
148

> <ord>
54

> <cl>
20

$$$$
C17H17NO5S
  MOLSOFT 06241911502D

 24 25  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 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    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
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
M  END
> <idnumber>
Z1413958739

> <smiles>
Cc1cccc(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
231

> <ord>
55

> <cl>
20

$$$$
C18H17NO7S
  MOLSOFT 06241911502D

 27 28  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   -0.0000    0.0000 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
    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
    9.8000   -2.4249    0.0000 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 O   0  0  0
   11.9000   -1.2124    0.0000 O   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 16 17  1
 17 18  1
 17 19  2
 15 16  1
 15 20  2
 21 12  2
 20 21  1
 11 12  1
 11 22  2
 11 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1413958518

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(CC(O)=O)cc1)(=O)=O)=O)C(O)=O

> <CO>
211

> <ord>
56

> <cl>
20

$$$$
C21H23NO6S
  MOLSOFT 06241911502D

 29 30  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 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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
  5  6  1
  5 29  2
M  END
> <idnumber>
Z1413958077

> <smiles>
CC(C)(C)C(c1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
171

> <ord>
57

> <cl>
20

$$$$
C19H21NO5S
  MOLSOFT 06241911502D

 26 27  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
    2.8000   -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
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  4  6  1
  7  8  1
  9  2  2
  7  9  1
  6  7  2
  6 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
M  END
> <idnumber>
Z1373577197

> <smiles>
Cc1cc(C)c(c(C)c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
113

> <ord>
58

> <cl>
20

$$$$
C17H17NO5S
  MOLSOFT 06241911502D

 24 25  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    0.0000 O   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
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
M  END
> <idnumber>
Z1413957888

> <smiles>
Cc1ccccc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
155

> <ord>
59

> <cl>
20

$$$$
C21H25NO5S
  MOLSOFT 06241911502D

 28 29  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 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.8000   -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
    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 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  3  5  2
  5  6  1
  5  7  1
  8  9  1
 10  2  2
  8 10  1
 10 11  1
  7  8  2
  7 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
M  END
> <idnumber>
Z1373577201

> <smiles>
Cc1c(C)c(C)c(c(C)c1C)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
117

> <ord>
60

> <cl>
20

$$$$
C21H25NO5S
  MOLSOFT 06241911502D

 28 29  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 C   0  0  0
    4.2000   -1.4000    0.0000 C   0  0  0
    5.6000    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
  7  8  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
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
  5  6  1
  5 25  1
 25 26  1
 25 27  1
 25 28  1
M  END
> <idnumber>
Z1413958772

> <smiles>
Cc1ccc(cc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(C)(C)C

> <CO>
235

> <ord>
61

> <cl>
20

$$$$
C18H18ClNO5S
  MOLSOFT 06241911502D

 26 27  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   -0.0000    0.0000 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
    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
    9.8000   -2.4249    0.0000 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 Cl  0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 16 17  1
 17 18  1
 15 16  1
 15 19  2
 20 12  2
 19 20  1
 11 12  1
 11 21  2
 11 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1413958229

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(CC[Cl])cc1)(=O)=O)=O)C(O)=O

> <CO>
183

> <ord>
62

> <cl>
20

$$$$
C19H21NO6S
  MOLSOFT 06241911502D

 27 28  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    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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    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
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
M  END
> <idnumber>
Z1413958848

> <smiles>
COCCc1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
244

> <ord>
63

> <cl>
20

$$$$
C17H17NO7S2
  MOLSOFT 06241911502D

 27 28  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  2  3  1
  2 26  2
  2 27  2
M  END
> <idnumber>
Z1373577230

> <smiles>
CS(c1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)(=O)=O

> <CO>
139

> <ord>
64

> <cl>
20

$$$$
C18H19NO7S2
  MOLSOFT 06241911502D

 28 29  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    4.2000    1.4000    0.0000 C   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    5.6000    0.0000    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
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
  5  6  1
  5 25  1
 25 26  1
 25 27  2
 25 28  2
M  END
> <idnumber>
Z1413957971

> <smiles>
Cc1ccc(cc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)S(C)(=O)=O

> <CO>
164

> <ord>
65

> <cl>
20

$$$$
C19H19NO7S
  MOLSOFT 06241911502D

 28 29  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
    2.8000   -0.0000    0.0000 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  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  1
  4  6  2
  8  2  1
  7  8  2
  8  9  1
  9 10  1
  9 11  2
  6  7  1
  6 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
M  END
> <idnumber>
Z1373577217

> <smiles>
Cc1cc(C)c(cc1C(O)=O)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
127

> <ord>
66

> <cl>
21

$$$$
C18H17NO7S
  MOLSOFT 06241911502D

 27 28  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    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  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  7  2  1
  6  7  2
  7  8  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
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
  4  5  2
  4 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1413958348

> <smiles>
Cc1cc(ccc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(O)=O

> <CO>
194

> <ord>
67

> <cl>
21

$$$$
C18H17NO7S
  MOLSOFT 06241911502D

 27 28  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    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
    4.9000    1.2124    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
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
  5  6  1
  5 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1413959119

> <smiles>
Cc1ccc(cc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(O)=O

> <CO>
262

> <ord>
68

> <cl>
21

$$$$
C19H19NO7S
  MOLSOFT 06241911502D

 28 29  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 S   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 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 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    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
    4.9000    1.2124    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
  8  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  6  7  1
  6 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1373577236

> <smiles>
CCc1ccc(cc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(O)=O

> <CO>
143

> <ord>
69

> <cl>
21

$$$$
C20H21NO7S
  MOLSOFT 06241911502D

 29 30  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
   -0.0000   -2.4249    0.0000 S   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 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 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    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
    4.9000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  5  6  1
  6  7  2
  9  4  1
  8  9  2
  9 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  7  8  1
  7 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1413958811

> <smiles>
CC(C)c1ccc(cc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(O)=O

> <CO>
240

> <ord>
70

> <cl>
21

$$$$
C22H19NO5S
  MOLSOFT 06241911502D

 29 31  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    5.6000   -7.2746    0.0000 C   0  0  0
    4.2000   -7.2746    0.0000 C   0  0  0
    3.5000   -6.0622    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 18 19  1
 19 20  2
 20 21  1
 21 22  2
 23 18  2
 22 23  1
 11 12  1
 11 24  2
 11 25  2
  3  4  1
  3 26  2
  1  2  1
  1 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1373577228

> <smiles>
C(CC(c1cccc(c1)NS(c1ccccc1c1ccccc1)(=O)=O)=O)C(O)=O

> <CO>
137

> <ord>
71

> <cl>
22

$$$$
C22H19NO5S
  MOLSOFT 06241911502D

 29 31  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   -0.0000    0.0000 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
    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 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -2.4249    0.0000 C   0  0  0
   11.9000   -3.6373    0.0000 C   0  0  0
   10.5000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 18 19  1
 19 20  2
 20 21  1
 21 22  2
 23 18  2
 22 23  1
 11 12  1
 11 24  2
 11 25  2
  3  4  1
  3 26  2
  1  2  1
  1 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1413959112

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(cc1)c1ccccc1)(=O)=O)=O)C(O)=O

> <CO>
260

> <ord>
72

> <cl>
22

$$$$
C17H16BrNO5S
  MOLSOFT 06241911502D

 25 26  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 Br  0  0  0
    2.8000    2.4249    0.0000 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   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
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
M  END
> <idnumber>
Z1373577176

> <smiles>
Cc1cc(ccc1[Br])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
98

> <ord>
73

> <cl>
23

$$$$
C16H14FNO5S
  MOLSOFT 06241911502D

 24 25  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   -0.0000    0.0000 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
    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 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 11 12  1
 11 19  2
 11 20  2
  3  4  1
  3 21  2
  1  2  1
  1 22  1
 22 23  1
 22 24  2
M  END
> <idnumber>
Z1373577221

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(cc1)F)(=O)=O)=O)C(O)=O

> <CO>
131

> <ord>
74

> <cl>
23

$$$$
C18H18FNO5S
  MOLSOFT 06241911502D

 26 27  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
    2.8000   -2.4249    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 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  6  7  1
  8  2  2
  6  8  1
  8  9  1
  4  5  1
  4 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
M  END
> <idnumber>
Z1413958266

> <smiles>
Cc1cc(cc(C)c1F)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
186

> <ord>
75

> <cl>
23

$$$$
C17H16FNO5S
  MOLSOFT 06241911502D

 25 26  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 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   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
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
M  END
> <idnumber>
Z1413958783

> <smiles>
Cc1cc(ccc1F)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
237

> <ord>
76

> <cl>
23

$$$$
C16H14FNO5S
  MOLSOFT 06241911502D

 24 25  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 11 12  1
 11 19  2
 11 20  2
  3  4  1
  3 21  2
  1  2  1
  1 22  1
 22 23  1
 22 24  2
M  END
> <idnumber>
Z1373577177

> <smiles>
C(CC(c1cccc(c1)NS(c1cccc(c1)F)(=O)=O)=O)C(O)=O

> <CO>
99

> <ord>
77

> <cl>
23

$$$$
C16H13F2NO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 F   0  0  0
    8.4000    0.0000    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 14 15  1
 14 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1373577251

> <smiles>
C(CC(c1cccc(c1)NS(c1cc(cc(c1)F)F)(=O)=O)=O)C(O)=O

> <CO>
151

> <ord>
78

> <cl>
23

$$$$
C17H16FNO5S
  MOLSOFT 06241911502D

 25 26  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
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    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
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
M  END
> <idnumber>
Z1373577200

> <smiles>
Cc1ccc(cc1F)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
116

> <ord>
79

> <cl>
23

$$$$
C17H16FNO5S
  MOLSOFT 06241911502D

 25 26  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    0.0000 O   0  0  0
    4.2000   -0.0000    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
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
  5  6  1
  5 25  1
M  END
> <idnumber>
Z1373577211

> <smiles>
Cc1ccc(cc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)F

> <CO>
125

> <ord>
80

> <cl>
23

$$$$
C16H14BrNO5S
  MOLSOFT 06241911502D

 24 25  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 Br  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 11 12  1
 11 19  2
 11 20  2
  3  4  1
  3 21  2
  1  2  1
  1 22  1
 22 23  1
 22 24  2
M  END
> <idnumber>
Z1373577182

> <smiles>
C(CC(c1cccc(c1)NS(c1cccc(c1)[Br])(=O)=O)=O)C(O)=O

> <CO>
103

> <ord>
81

> <cl>
23

$$$$
C16H13BrFNO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 F   0  0  0
    9.8000   -2.4249    0.0000 Br  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 16 18  1
 15 16  2
 15 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1413958113

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(c(c1)F)[Br])(=O)=O)=O)C(O)=O

> <CO>
173

> <ord>
82

> <cl>
23

$$$$
C16H13BrFNO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 Br  0  0  0
    9.8000   -2.4249    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 16 18  1
 15 16  2
 15 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1413958350

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(c(c1)[Br])F)(=O)=O)=O)C(O)=O

> <CO>
195

> <ord>
83

> <cl>
23

$$$$
C17H13F2NO7S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 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
    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   -0.0000    0.0000 C   0  0  0
    9.8000   -0.0000    0.0000 O   0  0  0
    7.7000    1.2124    0.0000 O   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
    8.4000   -4.8497    0.0000 F   0  0  0
    9.8000   -2.4249    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 15 16  1
 15 17  2
 14 15  1
 14 18  1
 20 12  2
 19 20  1
 19 21  1
 18 19  2
 18 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1413958358

> <smiles>
C(CC(c1cccc(c1)NS(c1cc(C(O)=O)c(c(c1)F)F)(=O)=O)=O)C(O)=O

> <CO>
199

> <ord>
84

> <cl>
24

$$$$
C17H14FNO7S
  MOLSOFT 06241911502D

 27 28  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 F   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 O   0  0  0
    7.7000    1.2124    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 14 15  1
 14 19  1
 19 20  1
 19 21  2
 11 12  1
 11 22  2
 11 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1413958985

> <smiles>
C(CC(c1cccc(c1)NS(c1cc(cc(c1)F)C(O)=O)(=O)=O)=O)C(O)=O

> <CO>
253

> <ord>
85

> <cl>
24

$$$$
C16H14FNO5S
  MOLSOFT 06241911502D

 24 25  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 11 12  1
 11 19  2
 11 20  2
  3  4  1
  3 21  2
  1  2  1
  1 22  1
 22 23  1
 22 24  2
M  END
> <idnumber>
Z1373577180

> <smiles>
C(CC(c1cccc(c1)NS(c1ccccc1F)(=O)=O)=O)C(O)=O

> <CO>
101

> <ord>
86

> <cl>
25

$$$$
C16H13F2NO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 F   0  0  0
    9.8000   -2.4249    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 17 12  1
 16 17  2
 17 18  1
 15 16  1
 15 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1373577196

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(cc1F)F)(=O)=O)=O)C(O)=O

> <CO>
112

> <ord>
87

> <cl>
25

$$$$
C16H13ClFNO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 F   0  0  0
    9.8000   -2.4249    0.0000 Cl  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 17 12  1
 16 17  2
 17 18  1
 15 16  1
 15 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1373577203

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(cc1F)[Cl])(=O)=O)=O)C(O)=O

> <CO>
118

> <ord>
88

> <cl>
25

$$$$
C16H13F2NO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 F   0  0  0
    8.4000   -4.8497    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 17 18  1
 16 17  1
 16 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1373577218

> <smiles>
C(CC(c1cccc(c1)NS(c1cccc(c1F)F)(=O)=O)=O)C(O)=O

> <CO>
128

> <ord>
89

> <cl>
25

$$$$
C17H16BrNO5S
  MOLSOFT 06241911502D

 25 26  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 Br  0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  6  8  1
  5  6  2
  5  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
M  END
> <idnumber>
Z1373577212

> <smiles>
Cc1ccc(c(c1)[Br])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
126

> <ord>
90

> <cl>
26

$$$$
C16H14BrNO5S
  MOLSOFT 06241911502D

 24 25  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 Br  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 11 12  1
 11 19  2
 11 20  2
  3  4  1
  3 21  2
  1  2  1
  1 22  1
 22 23  1
 22 24  2
M  END
> <idnumber>
Z1373577227

> <smiles>
C(CC(c1cccc(c1)NS(c1ccccc1[Br])(=O)=O)=O)C(O)=O

> <CO>
136

> <ord>
91

> <cl>
26

$$$$
C17H15Cl2NO5S
  MOLSOFT 06241911502D

 26 27  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 Cl  0  0  0
    2.8000   -2.4249    0.0000 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    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
  7  8  1
  6  7  2
  6  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  5  6  1
  5 26  1
M  END
> <idnumber>
Z1413958496

> <smiles>
Cc1ccc(c(c1[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)[Cl]

> <CO>
210

> <ord>
92

> <cl>
26

$$$$
C16H13BrClNO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 Cl  0  0  0
    9.8000   -2.4249    0.0000 Br  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 17 12  1
 16 17  2
 17 18  1
 15 16  1
 15 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1413958579

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(cc1[Cl])[Br])(=O)=O)=O)C(O)=O

> <CO>
215

> <ord>
93

> <cl>
26

$$$$
C16H12Cl3NO5S
  MOLSOFT 06241911502D

 26 27  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 Cl  0  0  0
    9.8000   -2.4249    0.0000 Cl  0  0  0
    5.6000   -0.0000    0.0000 Cl  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 14 15  2
 17 12  1
 16 17  2
 17 18  1
 15 16  1
 15 19  1
 13 14  1
 13 20  1
 11 12  1
 11 21  2
 11 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1413958802

> <smiles>
C(CC(c1cccc(c1)NS(c1c(cc(cc1[Cl])[Cl])[Cl])(=O)=O)=O)C(O)=O

> <CO>
239

> <ord>
94

> <cl>
26

$$$$
C16H13Cl2NO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 Cl  0  0  0
    9.8000   -2.4249    0.0000 Cl  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 16 18  1
 15 16  2
 15 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1373577181

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)=O)C(O)=O

> <CO>
102

> <ord>
95

> <cl>
27

$$$$
C16H14ClNO5S
  MOLSOFT 06241911502D

 24 25  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 Cl  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 11 12  1
 11 19  2
 11 20  2
  3  4  1
  3 21  2
  1  2  1
  1 22  1
 22 23  1
 22 24  2
M  END
> <idnumber>
Z1373577247

> <smiles>
C(CC(c1cccc(c1)NS(c1cccc(c1)[Cl])(=O)=O)=O)C(O)=O

> <CO>
149

> <ord>
96

> <cl>
27

$$$$
C17H16ClNO5S
  MOLSOFT 06241911502D

 25 26  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    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
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 14 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
  5  6  1
  5 25  1
M  END
> <idnumber>
Z1373577189

> <smiles>
Cc1ccc(cc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)[Cl]

> <CO>
108

> <ord>
97

> <cl>
27

$$$$
C16H13Cl2NO5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 Cl  0  0  0
    8.4000    0.0000    0.0000 Cl  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 14 15  2
 14 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1373577245

> <smiles>
C(CC(c1cccc(c1)NS(c1cc(ccc1[Cl])[Cl])(=O)=O)=O)C(O)=O

> <CO>
147

> <ord>
98

> <cl>
27

$$$$
C17H16ClNO5S
  MOLSOFT 06241911502D

 25 26  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  7  2  1
  6  7  2
  7  8  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
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
  4  5  2
  4 25  1
M  END
> <idnumber>
Z1373577190

> <smiles>
Cc1cc(ccc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)[Cl]

> <CO>
109

> <ord>
99

> <cl>
27

$$$$
C18H17Cl2NO5S
  MOLSOFT 06241911502D

 27 28  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
    4.2000   -0.0000    0.0000 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
    2.8000   -2.4249    0.0000 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  1
  5  7  2
  8  2  2
  8  9  1
  7  8  1
  7 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  4  5  1
  4 27  1
M  END
> <idnumber>
Z1413957968

> <smiles>
Cc1cc(c(C)c(c1[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)[Cl]

> <CO>
163

> <ord>
100

> <cl>
28

$$$$
C17H14ClNO7S
  MOLSOFT 06241911502D

 27 28  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 O   0  0  0
    9.8000   -4.8497    0.0000 O   0  0  0
    9.8000   -2.4249    0.0000 Cl  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 16 18  1
 18 19  1
 18 20  2
 15 16  2
 15 21  1
 11 12  1
 11 22  2
 11 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1413958135

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(c(c1)C(O)=O)[Cl])(=O)=O)=O)C(O)=O

> <CO>
176

> <ord>
101

> <cl>
29

$$$$
C17H14ClNO7S
  MOLSOFT 06241911502D

 27 28  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 Cl  0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 O   0  0  0
    7.7000    1.2124    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 14 15  2
 14 19  1
 19 20  1
 19 21  2
 11 12  1
 11 22  2
 11 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1413958734

> <smiles>
C(CC(c1cccc(c1)NS(c1cc(ccc1[Cl])C(O)=O)(=O)=O)=O)C(O)=O

> <CO>
230

> <ord>
102

> <cl>
29

$$$$
C18H16FNO7S
  MOLSOFT 06241911502D

 28 29  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 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    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  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
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  4  5  1
  4 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1413958352

> <smiles>
Cc1cc(cc(c1F)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(O)=O

> <CO>
196

> <ord>
103

> <cl>
30

$$$$
C17H13F4NO5S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
    9.8000    3.8249    0.0000 F   0  0  0
    9.8000    1.0249    0.0000 F   0  0  0
   11.2000    2.4249    0.0000 F   0  0  0
    8.4000    4.8497    0.0000 F   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 16 18  1
 18 19  1
 18 20  1
 18 21  1
 15 16  2
 15 22  1
 10 11  1
 10 23  2
 10 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1336456785

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(c(c1)C(F)(F)F)F)(=O)=O)=O)C(O)=O

> <CO>
30

> <ord>
104

> <cl>
31

$$$$
C17H14F3NO5S
  MOLSOFT 06241911502D

 27 28  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 C   0  0  0
    9.6124   -4.1497    0.0000 F   0  0  0
    7.1876   -5.5497    0.0000 F   0  0  0
    9.1000   -6.0622    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 18 19  1
 18 20  1
 18 21  1
 11 12  1
 11 22  2
 11 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1373577179

> <smiles>
C(CC(c1cccc(c1)NS(c1cccc(c1)C(F)(F)F)(=O)=O)=O)C(O)=O

> <CO>
100

> <ord>
105

> <cl>
31

$$$$
C17H13ClF3NO5S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 C   0  0  0
    9.6124   -4.1497    0.0000 F   0  0  0
    7.1876   -5.5497    0.0000 F   0  0  0
    9.1000   -6.0622    0.0000 F   0  0  0
    9.8000   -2.4249    0.0000 Cl  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 16 18  1
 18 19  1
 18 20  1
 18 21  1
 15 16  2
 15 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1373577224

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(c(c1)C(F)(F)F)[Cl])(=O)=O)=O)C(O)=O

> <CO>
134

> <ord>
106

> <cl>
31

$$$$
C17H13F4NO5S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 F   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.1876    0.7000    0.0000 F   0  0  0
    9.6124   -0.7000    0.0000 F   0  0  0
    9.1000    1.2124    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 14 15  2
 14 19  1
 19 20  1
 19 21  1
 19 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1413958118

> <smiles>
C(CC(c1cccc(c1)NS(c1cc(ccc1F)C(F)(F)F)(=O)=O)=O)C(O)=O

> <CO>
174

> <ord>
107

> <cl>
31

$$$$
C17H14F3NO5S
  MOLSOFT 06241911502D

 27 28  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   -0.0000    0.0000 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
    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
    5.7083   -4.9061    0.0000 C   0  0  0
    6.9772   -5.4978    0.0000 F   0  0  0
    4.4395   -4.3145    0.0000 F   0  0  0
    5.1167   -6.1750    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 18 19  1
 18 20  1
 18 21  1
 11 12  1
 11 22  2
 11 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1373577232

> <smiles>
C(CC(c1cccc(c1)NS(c1ccccc1C(F)(F)F)(=O)=O)=O)C(O)=O

> <CO>
141

> <ord>
108

> <cl>
32

$$$$
C17H13F4NO5S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 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
    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
    5.7083   -4.9061    0.0000 C   0  0  0
    6.9772   -5.4978    0.0000 F   0  0  0
    4.4395   -4.3145    0.0000 F   0  0  0
    5.1167   -6.1750    0.0000 F   0  0  0
    9.8000   -2.4249    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 17 12  1
 16 17  2
 17 18  1
 18 19  1
 18 20  1
 18 21  1
 15 16  1
 15 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1413959054

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(cc1C(F)(F)F)F)(=O)=O)=O)C(O)=O

> <CO>
257

> <ord>
109

> <cl>
32

$$$$
C18H13F3N2O5S
  MOLSOFT 06241911502D

 29 30  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   -0.0000    0.0000 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
    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
    9.8000   -2.4249    0.0000 C   0  0  0
   11.2000   -2.4249    0.0000 N   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.6124   -4.1497    0.0000 F   0  0  0
    7.1876   -5.5497    0.0000 F   0  0  0
    9.1000   -6.0622    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 16 17  3
 15 16  1
 15 18  2
 19 12  2
 18 19  1
 18 20  1
 20 21  1
 20 22  1
 20 23  1
 11 12  1
 11 24  2
 11 25  2
  3  4  1
  3 26  2
  1  2  1
  1 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1413958448

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O)=O)C(O)=O

> <CO>
206

> <ord>
110

> <cl>
33

$$$$
C19H17NO7S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 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
    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
    9.8000   -2.4249    0.0000 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -2.4249    0.0000 O   0  0  0
   12.6000    0.0000    0.0000 O   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 16 17  2  3
 17 18  1
 18 19  1
 18 20  2
 15 16  1
 15 21  2
 22 12  2
 21 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1413958723

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(C=CC(O)=O)cc1)(=O)=O)=O)C(O)=O

> <CO>
228

> <ord>
111

> <cl>
34

$$$$
C17H13BrN2O5S
  MOLSOFT 06241911502D

 26 27  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   -0.0000    0.0000 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
    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   -0.0000    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 N   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
    8.4000   -4.8497    0.0000 Br  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 15 16  3
 14 15  1
 14 17  1
 17 18  2
 19 12  2
 18 19  1
 18 20  1
 11 12  1
 11 21  2
 11 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1413958721

> <smiles>
C(CC(c1cccc(c1)NS(c1cc(C#N)cc(c1)[Br])(=O)=O)=O)C(O)=O

> <CO>
227

> <ord>
112

> <cl>
35

$$$$
C17H14N2O5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 C   0  0  0
    4.9000   -6.0622    0.0000 N   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 18 19  3
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1413959108

> <smiles>
C(CC(c1cccc(c1)NS(c1ccccc1C#N)(=O)=O)=O)C(O)=O

> <CO>
259

> <ord>
113

> <cl>
36

$$$$
C17H16ClNO7S2
  MOLSOFT 06241911502D

 28 29  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  7  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  6  7  2
  6 26  1
  2  3  1
  2 27  2
  2 28  2
M  END
> <idnumber>
Z1373577186

> <smiles>
CS(c1ccc(c(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)[Cl])(=O)=O

> <CO>
106

> <ord>
114

> <cl>
37

$$$$
C17H16FNO7S2
  MOLSOFT 06241911502D

 28 29  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  7  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  6  7  2
  6 26  1
  2  3  1
  2 27  2
  2 28  2
M  END
> <idnumber>
Z1413957985

> <smiles>
CS(c1ccc(c(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)F)(=O)=O

> <CO>
166

> <ord>
115

> <cl>
37

$$$$
C17H16FNO7S2
  MOLSOFT 06241911502D

 28 29  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 O   0  0  0
  1  2  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
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  2  3  1
  2 27  2
  2 28  2
M  END
> <idnumber>
Z1413958633

> <smiles>
CS(c1cc(ccc1F)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)(=O)=O

> <CO>
220

> <ord>
116

> <cl>
37

$$$$
C18H18FNO7S
  MOLSOFT 06241911502D

 28 29  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 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  8  3  1
  7  8  2
  8  9  1
  9 10  1
  6  7  1
  6 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  5  6  2
  5 28  1
M  END
> <idnumber>
Z1373577220

> <smiles>
COc1cc(c(cc1OC)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)F

> <CO>
130

> <ord>
117

> <cl>
38

$$$$
C17H15F2NO6S
  MOLSOFT 06241911502D

 27 28  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 F   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  8  3  2
  7  8  1
  7  9  1
  6  7  2
  6 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  5  6  1
  5 27  1
M  END
> <idnumber>
Z1413958916

> <smiles>
COc1cc(c(c(c1)F)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)F

> <CO>
248

> <ord>
118

> <cl>
38

$$$$
C17H16BrNO6S
  MOLSOFT 06241911502D

 26 27  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 Br  0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    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
  8  9  1
  6  7  1
  6 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
M  END
> <idnumber>
Z1373577250

> <smiles>
COc1ccc(cc1[Br])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
150

> <ord>
119

> <cl>
39

$$$$
C17H16ClNO6S
  MOLSOFT 06241911502D

 26 27  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 Cl  0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    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
  8  9  1
  6  7  1
  6 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
M  END
> <idnumber>
Z1413958833

> <smiles>
COc1ccc(cc1[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
242

> <ord>
120

> <cl>
39

$$$$
C17H15Cl2NO6S
  MOLSOFT 06241911502D

 27 28  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 Cl  0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   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
  8  3  1
  7  8  2
  8  9  1
  6  7  1
  6 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  5  6  2
  5 27  1
M  END
> <idnumber>
Z1413958253

> <smiles>
COc1cc(c(cc1[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)[Cl]

> <CO>
184

> <ord>
121

> <cl>
39

$$$$
C17H14ClF2NO6S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 Cl  0  0  0
    9.8000   -2.4249    0.0000 O   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 F   0  0  0
   11.9000   -1.2124    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 16 18  1
 15 16  2
 15 19  1
 19 20  1
 20 21  1
 20 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1413958854

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(c(c1)[Cl])OC(F)F)(=O)=O)=O)C(O)=O

> <CO>
245

> <ord>
122

> <cl>
39

$$$$
C18H19NO6S
  MOLSOFT 06241911502D

 26 27  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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    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
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1336451869

> <smiles>
CCOc1ccccc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
11

> <ord>
123

> <cl>
40

$$$$
C17H16ClNO6S
  MOLSOFT 06241911502D

 26 27  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 Cl  0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 S   0  0  0
   -2.8000    2.4249    0.0000 C   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 C   0  0  0
   -4.9000    3.6373    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -7.0000    2.4249    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 O   0  0  0
  -11.2000   -0.0000    0.0000 O   0  0  0
   -7.7000    3.6373    0.0000 O   0  0  0
   -1.4000    3.8249    0.0000 O   0  0  0
   -1.4000    1.0249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  4  5  1
  4 10  1
 10 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1336456529

> <smiles>
COc1c(cccc1[Cl])NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
28

> <ord>
124

> <cl>
40

$$$$
C19H20ClNO6S
  MOLSOFT 06241911502D

 28 29  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    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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   0  0  0
    4.2000   -0.0000    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
 10  5  1
  9 10  2
 10 11  1
 11 12  1
 13 14  1
 14 15  2
 15 16  1
 18 13  2
 17 18  1
 16 17  2
 16 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 12 13  1
 12 26  2
 12 27  2
  8  9  1
  8 28  1
M  END
> <idnumber>
Z1359454218

> <smiles>
CCCOc1ccc(cc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)[Cl]

> <CO>
56

> <ord>
125

> <cl>
40

$$$$
C17H17NO5S2
  MOLSOFT 06241911502D

 25 26  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
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   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
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
 10 11  1
 10 24  2
 10 25  2
M  END
> <idnumber>
Z1359443278

> <smiles>
CSc1ccccc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
34

> <ord>
126

> <cl>
41

$$$$
C17H14F3NO6S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    0.0000    0.0000 O   0  0  0
    9.8000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 F   0  0  0
   10.5000   -1.2124    0.0000 F   0  0  0
    8.4000    4.8497    0.0000 F   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 17 12  1
 16 17  2
 17 18  1
 18 19  1
 19 20  1
 19 21  1
 15 16  1
 15 22  1
 10 11  1
 10 23  2
 10 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1359467005

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(cc1OC(F)F)F)(=O)=O)=O)C(O)=O

> <CO>
86

> <ord>
127

> <cl>
42

$$$$
C17H16BrNO6S
  MOLSOFT 06241911502D

 26 27  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 S   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 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 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 Br  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
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  6  7  1
  6 26  1
M  END
> <idnumber>
Z1373577175

> <smiles>
COc1ccc(cc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)[Br]

> <CO>
97

> <ord>
128

> <cl>
43

$$$$
C17H14F3NO6S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 O   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    5.0876   -6.7622    0.0000 F   0  0  0
    7.5124   -5.3622    0.0000 F   0  0  0
    7.0000   -7.2746    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 18 19  1
 19 20  1
 19 21  1
 19 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1373577231

> <smiles>
C(CC(c1cccc(c1)NS(c1ccccc1OC(F)(F)F)(=O)=O)=O)C(O)=O

> <CO>
140

> <ord>
129

> <cl>
44

$$$$
C18H19NO7S
  MOLSOFT 06241911502D

 27 28  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 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   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
  5  6  1
  8  3  2
  7  8  1
  7  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  6  7  2
  6 26  1
 26 27  1
M  END
> <idnumber>
Z1373577239

> <smiles>
COc1ccc(c(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)OC

> <CO>
144

> <ord>
130

> <cl>
44

$$$$
C19H19NO8S
  MOLSOFT 06241911502D

 29 30  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 C   0  0  0
    2.8000   -0.0000    0.0000 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
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  8 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  7  8  2
  7 27  1
 27 28  1
  3  4  1
  3 29  2
M  END
> <idnumber>
Z1413958294

> <smiles>
COC(c1ccc(c(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)OC)=O

> <CO>
188

> <ord>
131

> <cl>
44

$$$$
C20H22N2O7S
  MOLSOFT 06241911502D

 30 31  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
   -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 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   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
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
 10  5  2
  9 10  1
  9 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  8  9  2
  8 28  1
 28 29  1
  2  3  1
  2 30  2
M  END
> <idnumber>
Z1413959139

> <smiles>
CC(NCc1ccc(c(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)OC)=O

> <CO>
264

> <ord>
132

> <cl>
45

$$$$
C19H20N2O6S
  MOLSOFT 06241911502D

 28 29  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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   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
    4.9000   -1.2124    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
  8  9  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  9 10  1
  9 23  2
  9 24  2
  5  6  1
  5 25  1
 26 27  1
 25 26  1
 25 28  2
M  END
> <idnumber>
Z1359450536

> <smiles>
Cc1ccc(cc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)C(NC)=O

> <CO>
41

> <ord>
133

> <cl>
46

$$$$
C22H26N2O6S
  MOLSOFT 06241911502D

 31 32  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 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
    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
    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 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    7.0000    9.6995    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 O   0  0  0
    7.7000   10.9119    0.0000 O   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  1
  7  8  1
  8  9  2
  9 10  1
 11 12  1
 13  7  2
 11 13  1
 10 11  2
 10 14  1
 14 15  1
 16 17  1
 17 18  2
 18 19  1
 21 16  2
 20 21  1
 19 20  2
 19 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 15 16  1
 15 29  2
 15 30  2
  6  7  1
  6 31  2
M  END
> <idnumber>
Z1359459445

> <smiles>
CC(C)CNC(c1ccc(c(C)c1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
62

> <ord>
134

> <cl>
47

$$$$
C20H20N2O6S
  MOLSOFT 06241911502D

 29 30  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 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 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  2
  2  3  1
  3  4  1
  4  5  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 10 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
  5  6  1
  5 29  2
M  END
> <idnumber>
Z1413958199

> <smiles>
C=CCNC(c1cccc(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
179

> <ord>
135

> <cl>
48

$$$$
C19H20N2O7S
  MOLSOFT 06241911502D

 29 30  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 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
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 S   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 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    7.0000    9.6995    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 O   0  0  0
    7.7000   10.9119    0.0000 O   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    0.0000 O   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  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  1
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 13 14  1
 13 27  2
 13 28  2
  3  4  1
  3 29  2
M  END
> <idnumber>
Z1359465397

> <smiles>
COC(NCc1ccc(cc1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
81

> <ord>
136

> <cl>
49

$$$$
C20H22N2O6S
  MOLSOFT 06241911502D

 29 30  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    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
    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 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    7.0000    9.6995    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 O   0  0  0
    7.7000   10.9119    0.0000 O   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    0.0000 O   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  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
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 13 14  1
 13 27  2
 13 28  2
  4  5  1
  4 29  2
M  END
> <idnumber>
Z1359453226

> <smiles>
CN(C)C(Cc1ccc(cc1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
48

> <ord>
137

> <cl>
50

$$$$
C21H24N2O6S
  MOLSOFT 06241911502D

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.0000   -2.4249    0.0000 C   0  0  0
   -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
   -4.2000   -2.4249    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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  3  4  1
  3  6  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 14 15  1
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 20 15  2
 19 20  1
 19 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 13 14  1
 13 28  2
 13 29  2
  6  7  1
  6 30  2
M  END
> <idnumber>
Z1413958203

> <smiles>
CCN(CC)C(c1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
180

> <ord>
138

> <cl>
51

$$$$
C19H20N2O6S
  MOLSOFT 06241911502D

 28 29  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  9 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  4  5  1
  4 28  2
M  END
> <idnumber>
Z1413958555

> <smiles>
CN(C)C(c1cccc(c1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
212

> <ord>
139

> <cl>
51

$$$$
C19H19ClN2O6S
  MOLSOFT 06241911502D

 29 30  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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
    4.9000    1.2124    0.0000 S   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 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    7.0000    9.6995    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 O   0  0  0
    7.7000   10.9119    0.0000 O   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  5  6  2
  6  7  1
  7  8  2
 10  5  1
  9 10  2
 10 11  1
  8  9  1
  8 12  1
 12 13  1
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 13 14  1
 13 27  2
 13 28  2
  4  5  1
  4 29  2
M  END
> <idnumber>
Z1359455909

> <smiles>
CN(C)C(c1ccc(cc1[Cl])NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
57

> <ord>
140

> <cl>
52

$$$$
C20H22N2O7S
  MOLSOFT 06241911502D

 30 31  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  5  6  2
  6  7  1
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  1
  7  8  2
  7 13  1
 14 15  1
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 20 15  2
 19 20  1
 19 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 13 14  1
 13 28  2
 13 29  2
  4  5  1
  4 30  2
M  END
> <idnumber>
Z1413958335

> <smiles>
CN(C)C(c1cc(ccc1OC)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
191

> <ord>
141

> <cl>
53

$$$$
C19H19ClN2O6S
  MOLSOFT 06241911502D

 29 30  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  2
  6  7  1
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  1
 13 14  1
 14 15  2
 15 16  1
 18 13  2
 17 18  1
 16 17  2
 16 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 12 13  1
 12 26  2
 12 27  2
  7  8  2
  7 28  1
  4  5  1
  4 29  2
M  END
> <idnumber>
Z1359464091

> <smiles>
CCNC(c1cc(ccc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)[Cl])=O

> <CO>
76

> <ord>
142

> <cl>
54

$$$$
C19H20N2O6S
  MOLSOFT 06241911502D

 28 29  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    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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  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
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  3  4  1
  3 28  2
M  END
> <idnumber>
Z1413957948

> <smiles>
CCC(Nc1ccc(cc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
161

> <ord>
143

> <cl>
55

$$$$
C19H20N2O6S
  MOLSOFT 06241911502D

 28 29  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
   -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
    2.8000    2.4249    0.0000 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   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   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  7  8  1
  9  4  1
  8  9  2
  9 10  1
  6  7  2
  6 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  2  3  1
  2 28  2
M  END
> <idnumber>
Z1413958263

> <smiles>
CC(Nc1cc(ccc1C)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
185

> <ord>
144

> <cl>
55

$$$$
C18H17FN2O6S
  MOLSOFT 06241911502D

 28 29  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
   -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
    2.8000    2.4249    0.0000 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   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   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  7  8  1
  9  4  1
  8  9  2
  9 10  1
  6  7  2
  6 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  2  3  1
  2 28  2
M  END
> <idnumber>
Z1413958685

> <smiles>
CC(Nc1cc(ccc1F)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
224

> <ord>
145

> <cl>
56

$$$$
C18H17ClN2O6S
  MOLSOFT 06241911502D

 28 29  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
   -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 Cl  0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  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
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  2  3  1
  2 28  2
M  END
> <idnumber>
Z1413958479

> <smiles>
CC(Nc1ccc(cc1[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
208

> <ord>
146

> <cl>
57

$$$$
C19H20N2O6S2
  MOLSOFT 06241911502D

 29 30  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 S   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    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 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    7.0000    9.6995    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 O   0  0  0
    7.7000   10.9119    0.0000 O   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    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  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
M  END
> <idnumber>
Z1359462698

> <smiles>
CN(C)C(=O)Sc1ccc(cc1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
67

> <ord>
147

> <cl>
58

$$$$
C23H22N2O5S
  MOLSOFT 06241911502D

 31 33  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
    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
    8.4000   -0.0000    0.0000 S   0  0  0
    9.8000   -0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 C   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   14.0000   -0.0000    0.0000 C   0  0  0
   14.7000    1.2124    0.0000 C   0  0  0
   16.1000    1.2124    0.0000 C   0  0  0
   16.8000    2.4249    0.0000 C   0  0  0
   16.1000    3.6373    0.0000 O   0  0  0
   18.2000    2.4249    0.0000 O   0  0  0
   14.7000   -1.2124    0.0000 O   0  0  0
    8.4000   -1.4000    0.0000 O   0  0  0
    8.4000    1.4000    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
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
 15 16  1
 17 18  1
 18 19  2
 19 20  1
 22 17  2
 21 22  1
 20 21  2
 20 23  1
 24 25  1
 25 26  1
 26 27  1
 26 28  2
 23 24  1
 23 29  2
 16 17  1
 16 30  2
 16 31  2
M  END
> <idnumber>
Z1336452193

> <smiles>
Cc1ccc(cc1)Nc1ccccc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
12

> <ord>
148

> <cl>
59

$$$$
C21H22N2O7S
  MOLSOFT 06241911502D

 31 33  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
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -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  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 N   0  0  0
   -3.6306   -1.2790    0.0000 C   0  0  0
   -4.6710   -2.2157    0.0000 C   0  0  0
   -5.8834   -1.5157    0.0000 C   0  0  0
   -5.5923   -0.1463    0.0000 C   0  0  0
   -6.5291    0.8941    0.0000 O   0  0  0
   -1.4000    4.8497    0.0000 N   0  0  0
   -0.0000    4.8497    0.0000 S   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    2.1000    3.6373    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
    3.5000    6.0622    0.0000 C   0  0  0
    2.1000    6.0622    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
    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 O   0  0  0
    9.8000    2.4249    0.0000 O   0  0  0
    6.3000    6.0622    0.0000 O   0  0  0
   -0.0000    6.2497    0.0000 O   0  0  0
   -0.0000    3.4497    0.0000 O   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
  9 10  1
 10 11  1
 11 12  1
 13  9  1
 12 13  1
 13 14  2
  5  6  2
  5 15  1
 15 16  1
 17 18  1
 18 19  2
 19 20  1
 22 17  2
 21 22  1
 20 21  2
 20 23  1
 24 25  1
 25 26  1
 26 27  1
 26 28  2
 23 24  1
 23 29  2
 16 17  1
 16 30  2
 16 31  2
M  END
> <idnumber>
Z1336454083

> <smiles>
COc1cc(ccc1N1CCCC1=O)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
19

> <ord>
149

> <cl>
60

$$$$
C21H20N2O7S
  MOLSOFT 06241911502D

 31 33  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    0.0000    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 N   0  0  0
   10.6229    1.1326    0.0000 C   0  0  0
   11.9544    0.7000    0.0000 C   0  0  0
   11.9544   -0.7000    0.0000 C   0  0  0
   10.6229   -1.1326    0.0000 C   0  0  0
   10.1903   -2.4641    0.0000 O   0  0  0
   10.1903    2.4641    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 18 19  1
 19 20  1
 21 22  1
 23 19  1
 22 23  1
 23 24  2
 20 21  1
 20 25  2
 10 11  1
 10 26  2
 10 27  2
  3  4  1
  3 28  2
  1  2  1
  1 29  1
 29 30  1
 29 31  2
M  END
> <idnumber>
Z1359456196

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccccc1CN1C(CCC1=O)=O)(=O)=O)=O)C(O)=O

> <CO>
59

> <ord>
150

> <cl>
61

$$$$
C21H24N2O5S2
  MOLSOFT 06241911502D

 30 32  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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    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
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 S   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
  3  4  1
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  9 10  1
  9 23  2
  9 24  2
  4  5  2
  4 25  1
 25 26  1
 26 27  1
 27 28  1
 28 29  1
 30 25  1
 29 30  1
M  END
> <idnumber>
Z1336456955

> <smiles>
Cc1cc(ccc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)N1CCSCC1

> <CO>
32

> <ord>
151

> <cl>
62

$$$$
C22H26N2O5S
  MOLSOFT 06241911502D

 30 32  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
    8.4000    0.0000    0.0000 N   0  0  0
    9.1000    1.2124    0.0000 S   0  0  0
    9.8000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
    9.8000    4.8497    0.0000 C   0  0  0
   11.2000    4.8497    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 C   0  0  0
   11.2000    7.2746    0.0000 C   0  0  0
   11.9000    8.4871    0.0000 C   0  0  0
   11.2000    9.6995    0.0000 C   0  0  0
    9.8000    9.6995    0.0000 O   0  0  0
   11.9000   10.9119    0.0000 O   0  0  0
   13.3000    6.0622    0.0000 O   0  0  0
    7.8876    1.9124    0.0000 O   0  0  0
   10.3124    0.5124    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
 13  8  2
 12 13  1
 11 12  2
 11 14  1
 14 15  1
 16 17  1
 17 18  2
 18 19  1
 21 16  2
 20 21  1
 19 20  2
 19 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 15 16  1
 15 29  2
 15 30  2
M  END
> <idnumber>
Z1359447158

> <smiles>
CC1CCN(CC1)c1ccc(cc1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
37

> <ord>
152

> <cl>
63

$$$$
C21H22N2O7S
  MOLSOFT 06241911502D

 31 33  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   -0.0000    0.0000 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
    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 C   0  0  0
   10.5000   -1.2124    0.0000 N   0  0  0
    9.8000   -0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 O   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   10.5000   -3.6373    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 22 23  1
 24 19  1
 23 24  1
 18 19  1
 18 25  2
 11 12  1
 11 26  2
 11 27  2
  3  4  1
  3 28  2
  1  2  1
  1 29  1
 29 30  1
 29 31  2
M  END
> <idnumber>
Z1413959128

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(cc1)C(N1CCOCC1)=O)(=O)=O)=O)C(O)=O

> <CO>
263

> <ord>
153

> <cl>
64

$$$$
C20H20N2O7S
  MOLSOFT 06241911502D

 30 32  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 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   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 O   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  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  7  8  1
  8  9  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  9 10  1
  9 23  2
  9 24  2
  5  6  1
  5 25  1
 25 26  1
 26 27  1
 27 28  1
 29 25  1
 28 29  1
 29 30  2
M  END
> <idnumber>
Z1359467974

> <smiles>
Cc1ccc(cc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)N1CCOC1=O

> <CO>
89

> <ord>
154

> <cl>
65

$$$$
C18H18N2O6S
  MOLSOFT 06241911502D

 27 28  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
   -1.4000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  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  2
  2  3  1
  2 12  1
 13 14  1
 14 15  2
 15 16  1
 18 13  2
 17 18  1
 16 17  2
 16 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 12 13  1
 12 26  2
 12 27  2
M  END
> <idnumber>
Z1336452692

> <smiles>
CN(c1ccccc1C(N)=O)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
14

> <ord>
155

> <cl>
66

$$$$
C19H21NO5S
  MOLSOFT 06241911502D

 26 27  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
    4.2000   -0.0000    0.0000 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
    2.1000   -3.6373    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 S   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 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 O   0  0  0
   14.0000   -0.0000    0.0000 O   0  0  0
   10.5000   -3.6373    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  1
  5  7  2
  8  2  2
  7  8  1
  7  9  1
  9 10  1
  9 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1336456284

> <smiles>
Cc1ccc(C)c(c1)N(C)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
24

> <ord>
156

> <cl>
67

$$$$
C18H19NO7S2
  MOLSOFT 06241911502D

 28 29  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 S   0  0  0
    4.2000    1.4000    0.0000 C   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
    5.6000    0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  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
  9 11  2
  9 12  2
  2  3  1
  2 13  1
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 13 14  1
 13 27  2
 13 28  2
M  END
> <idnumber>
Z1359460504

> <smiles>
CN(c1ccc(cc1)S(C)(=O)=O)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
64

> <ord>
157

> <cl>
68

$$$$
C18H19NO5S2
  MOLSOFT 06241911502D

 26 27  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 S   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  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
  2  3  1
  2 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1359464657

> <smiles>
CN(c1ccc(cc1)SC)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
80

> <ord>
158

> <cl>
68

$$$$
C18H19NO5S2
  MOLSOFT 06241911502D

 26 27  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
    2.8000   -2.4249    0.0000 S   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  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
  2  3  1
  2 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1359460536

> <smiles>
CN(c1cccc(c1)SC)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
65

> <ord>
159

> <cl>
68

$$$$
C23H21NO5S
  MOLSOFT 06241911502D

 30 32  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 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
   -2.1000   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  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  2
 14  9  2
 13 14  1
  2  3  1
  2 15  1
 16 17  1
 17 18  2
 18 19  1
 21 16  2
 20 21  1
 19 20  2
 19 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 15 16  1
 15 29  2
 15 30  2
M  END
> <idnumber>
Z1359467150

> <smiles>
CN(c1ccc(cc1)c1ccccc1)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
88

> <ord>
160

> <cl>
69

$$$$
C17H16FNO5S
  MOLSOFT 06241911502D

 25 26  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 F   0  0  0
   -2.1000   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  6  7  2
  6  9  1
  2  3  1
  2 10  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
 10 11  1
 10 24  2
 10 25  2
M  END
> <idnumber>
Z1336456189

> <smiles>
CN(c1ccc(cc1)F)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
21

> <ord>
161

> <cl>
70

$$$$
C17H15F2NO5S
  MOLSOFT 06241911502D

 26 27  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
    2.8000   -2.4249    0.0000 F   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
   -2.1000   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  8  3  2
  7  8  1
  7  9  1
  6  7  2
  6 10  1
  2  3  1
  2 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1336456509

> <smiles>
CN(c1ccc(c(c1)F)F)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
27

> <ord>
162

> <cl>
70

$$$$
C17H15BrFNO5S
  MOLSOFT 06241911502D

 26 27  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 F   0  0  0
    4.2000   -0.0000    0.0000 Br  0  0  0
   -2.1000   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  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
  2  3  1
  2 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1336456548

> <smiles>
CN(c1ccc(cc1F)[Br])S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
29

> <ord>
163

> <cl>
70

$$$$
C17H16FNO5S
  MOLSOFT 06241911502D

 25 26  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 F   0  0  0
   -2.1000   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  8  9  1
  2  3  1
  2 10  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
 10 11  1
 10 24  2
 10 25  2
M  END
> <idnumber>
Z1336457020

> <smiles>
CN(c1ccccc1F)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
33

> <ord>
164

> <cl>
70

$$$$
C20H21NO7S
  MOLSOFT 06241911502D

 29 30  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
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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
   -1.4000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 S   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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    3.5000   -8.4870    0.0000 C   0  0  0
    4.9000   -8.4871    0.0000 C   0  0  0
    5.6000   -9.6995    0.0000 C   0  0  0
    7.0000   -9.6995    0.0000 C   0  0  0
    7.7000   -8.4871    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    2.8000   -9.6995    0.0000 O   0  0  0
   -0.5124   -4.3373    0.0000 O   0  0  0
    1.9124   -2.9373    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  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
 11 13  1
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 13 14  1
 13 27  2
 13 28  2
  4  5  1
  4 29  2
M  END
> <idnumber>
Z1359463433

> <smiles>
CCOC(c1ccccc1N(C)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
70

> <ord>
165

> <cl>
71

$$$$
C20H20FNO7S
  MOLSOFT 06241911502D

 30 31  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
   -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 F   0  0  0
   -2.1000    1.2124    0.0000 S   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 C   0  0  0
   -7.0000    7.2746    0.0000 C   0  0  0
   -8.4000    7.2746    0.0000 C   0  0  0
   -9.1000    6.0622    0.0000 O   0  0  0
   -9.1000    8.4870    0.0000 O   0  0  0
   -4.2000    7.2746    0.0000 O   0  0  0
   -3.3124    0.5124    0.0000 O   0  0  0
   -0.8876    1.9124    0.0000 O   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
  6  7  1
  6 14  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
  4  5  1
  4 30  2
M  END
> <idnumber>
Z1336456264

> <smiles>
CCOC(CN(c1ccc(cc1)F)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
23

> <ord>
166

> <cl>
72

$$$$
C18H18ClNO5S
  MOLSOFT 06241911502D

 26 27  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
    4.2000   -0.0000    0.0000 Cl  0  0  0
   -2.1000   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
  3  4  1
  3 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1359458216

> <smiles>
CCN(c1ccc(cc1)[Cl])S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
61

> <ord>
167

> <cl>
73

$$$$
C18H18N2O6S
  MOLSOFT 06241911502D

 27 28  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   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 N   0  0  0
    8.4000    2.4249    0.0000 O   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
    5.6000   -2.4249    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 12 13  1
 13 14  1
 13 15  2
 11 12  1
 11 16  1
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 21 16  2
 20 21  1
 10 11  1
 10 22  2
 10 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1359471761

> <smiles>
C(CC(c1ccc(cc1)S(N(CC(N)=O)c1ccccc1)(=O)=O)=O)C(O)=O

> <CO>
91

> <ord>
168

> <cl>
74

$$$$
C21H19N3O6S
  MOLSOFT 06241911502D

 31 33  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 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
    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 N   0  0  0
    5.5068   -6.3346    0.0000 S   0  0  0
    6.8762   -6.0436    0.0000 C   0  0  0
    7.3088   -4.7121    0.0000 C   0  0  0
    8.6783   -4.4210    0.0000 C   0  0  0
    9.6150   -5.4614    0.0000 C   0  0  0
    9.1824   -6.7929    0.0000 C   0  0  0
    7.8130   -7.0840    0.0000 C   0  0  0
   10.9844   -5.1703    0.0000 C   0  0  0
   11.4171   -3.8389    0.0000 C   0  0  0
   12.7865   -3.5478    0.0000 C   0  0  0
   13.2191   -2.2163    0.0000 C   0  0  0
   12.2823   -1.1759    0.0000 O   0  0  0
   14.5885   -1.9252    0.0000 O   0  0  0
   11.9212   -6.2107    0.0000 O   0  0  0
    5.7979   -7.7040    0.0000 O   0  0  0
    5.2157   -4.9652    0.0000 O   0  0  0
   -0.9791   -2.7552    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  2  1
  5  6  2
  6  7  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
 16 17  1
 17 18  2
 18 19  1
 21 16  2
 20 21  1
 19 20  2
 19 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 15 16  1
 15 29  2
 15 30  2
  7  8  1
  7 31  2
M  END
> <idnumber>
Z1359446971

> <smiles>
Cn1ccnc1C(c1ccc(cc1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
36

> <ord>
169

> <cl>
75

$$$$
C18H21N3O5S
  MOLSOFT 06241911502D

 27 28  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 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 N   0  0  0
    4.9000    1.2124    0.0000 S   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 C   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    7.0000    9.6995    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 O   0  0  0
    7.7000   10.9119    0.0000 O   0  0  0
    9.1000    6.0622    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    0.0000 O   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
 13 14  1
 14 15  2
 15 16  1
 18 13  2
 17 18  1
 16 17  2
 16 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 12 13  1
 12 26  2
 12 27  2
M  END
> <idnumber>
Z1359456264

> <smiles>
CC(C)(C)c1ncc(cn1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
60

> <ord>
170

> <cl>
76

$$$$
C17H17N3O5S
  MOLSOFT 06241911502D

 26 28  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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 N   0  0  0
    7.7000    3.6373    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    8.4000    6.2497    0.0000 C   0  0  0
    9.6124    5.5497    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 16 17  1
 18 16  1
 17 18  1
 15 16  1
 15 19  2
 20 12  2
 19 20  1
 10 11  1
 10 21  2
 10 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1359462912

> <smiles>
C(CC(c1ccc(cc1)S(Nc1cnc(C2CC2)nc1)(=O)=O)=O)C(O)=O

> <CO>
68

> <ord>
171

> <cl>
76

$$$$
C21H17FN2O6S
  MOLSOFT 06241911502D

 31 33  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    7.7000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 O   0  0  0
    7.7000    6.0622    0.0000 C   0  0  0
    6.3000    6.0622    0.0000 C   0  0  0
    5.6000    7.2746    0.0000 C   0  0  0
    6.3000    8.4870    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    8.4000    7.2746    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 F   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 18 19  1
 19 20  1
 20 21  2
 21 22  1
 24 19  2
 23 24  1
 22 23  2
 22 25  1
 10 11  1
 10 26  2
 10 27  2
  3  4  1
  3 28  2
  1  2  1
  1 29  1
 29 30  1
 29 31  2
M  END
> <idnumber>
Z1359453416

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(nc1)Oc1ccc(cc1)F)(=O)=O)=O)C(O)=O

> <CO>
49

> <ord>
172

> <cl>
77

$$$$
C21H18N2O6S
  MOLSOFT 06241911502D

 30 32  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    7.7000    3.6373    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 N   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 O   0  0  0
    7.7000    6.0622    0.0000 C   0  0  0
    6.3000    6.0622    0.0000 C   0  0  0
    5.6000    7.2746    0.0000 C   0  0  0
    6.3000    8.4870    0.0000 C   0  0  0
    7.7000    8.4870    0.0000 C   0  0  0
    8.4000    7.2746    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 18 19  1
 19 20  1
 20 21  2
 21 22  1
 22 23  2
 24 19  2
 23 24  1
 10 11  1
 10 25  2
 10 26  2
  3  4  1
  3 27  2
  1  2  1
  1 28  1
 28 29  1
 28 30  2
M  END
> <idnumber>
Z1359454069

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(nc1)Oc1ccccc1)(=O)=O)=O)C(O)=O

> <CO>
55

> <ord>
173

> <cl>
77

$$$$
C16H16N2O6S
  MOLSOFT 06241911502D

 25 26  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
    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 N   0  0  0
    4.2000   -2.4249    0.0000 S   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 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.9000   -1.2124    0.0000 C   0  0  0
   12.6000   -0.0000    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 O   0  0  0
   14.0000   -0.0000    0.0000 O   0  0  0
   10.5000   -3.6373    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  1
  7  8  2
  6  7  1
  6  9  1
  9 10  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
 10 11  1
 10 24  2
 10 25  2
M  END
> <idnumber>
Z1359464546

> <smiles>
CN1C=CC=C(C1=O)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
79

> <ord>
174

> <cl>
78

$$$$
C19H16N2O6S
  MOLSOFT 06241911502D

 28 30  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    4.8497    0.0000 C   0  0  0
    7.8306    6.1287    0.0000 C   0  0  0
    8.8710    7.0655    0.0000 N   0  0  0
   10.0834    6.3655    0.0000 C   0  0  0
    9.7923    4.9961    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 18 19  2
 19 20  1
 20 21  2
 22 18  1
 21 22  1
 10 11  1
 10 23  2
 10 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1359454016

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(cc1)c1cnco1)(=O)=O)=O)C(O)=O

> <CO>
54

> <ord>
175

> <cl>
79

$$$$
C15H19NO6S
  MOLSOFT 06241911502D

 23 24  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 O   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  3
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 N   0  0  0
    0.8944   -4.8360    0.0000 S   0  0  0
    0.4618   -6.1675    0.0000 C   0  0  0
    1.3986   -7.2079    0.0000 C   0  0  0
    0.9660   -8.5393    0.0000 C   0  0  0
   -0.4034   -8.8304    0.0000 C   0  0  0
   -1.3402   -7.7900    0.0000 C   0  0  0
   -0.9076   -6.4585    0.0000 C   0  0  0
   -0.8361  -10.1619    0.0000 C   0  0  0
    0.1007  -11.2023    0.0000 C   0  0  0
   -0.3319  -12.5338    0.0000 C   0  0  0
    0.6049  -13.5742    0.0000 C   0  0  0
    1.9743  -13.2831    0.0000 O   0  0  0
    0.1723  -14.9057    0.0000 O   0  0  0
   -2.2055  -10.4530    0.0000 O   0  0  0
    2.2259   -5.2686    0.0000 O   0  0  0
   -0.4370   -4.4034    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  1  1
  5  4  1
  5  6  1
  6  7  1
  7  8  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 16 17  1
 17 18  1
 18 19  1
 18 20  2
 15 16  1
 15 21  2
  8  9  1
  8 22  2
  8 23  2
M  END
> <idnumber>
Z1682142601

> <smiles>
C1COCC1CNS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
271

> <ord>
176

> <cl>
80

$$$$
C14H17NO7S
  MOLSOFT 06241911502D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -7.7000   -3.6373    0.0000 C   0  0  0
   -7.0000   -2.4249    0.0000 O   0  0  0
   -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 C   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -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 O   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
   -1.4000   -1.4000    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -4.9000   -3.6373    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  1
  6  7  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
 15 16  1
 16 17  1
 17 18  1
 17 19  2
 14 15  1
 14 20  2
  7  8  1
  7 21  2
  7 22  2
  3  4  1
  3 23  2
M  END
> <idnumber>
Z1682153507

> <smiles>
COC(CCNS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
273

> <ord>
177

> <cl>
81

$$$$
C20H23NO6S
  MOLSOFT 06241911502D

 28 29  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -0.0000    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  3
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -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 O   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
   -1.4000   -1.4000    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  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
  -11.2000   -2.4249    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
  2  1  1
  3  4  1
  4  5  1
  6  7  1
  7  8  2
  8  9  1
 11  6  2
 10 11  1
  9 10  2
  9 12  1
 13 14  1
 14 15  1
 15 16  1
 15 17  2
 12 13  1
 12 18  2
  5  6  1
  5 19  2
  5 20  2
  2  3  1
  2 21  1
 21 22  1
 22 23  1
 23 24  2
 24 25  1
 25 26  1
 25 27  2
 28 22  2
 27 28  1
M  END
> <idnumber>
Z1682152871

> <smiles>
CC(CNS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)Oc1ccc(C)cc1

> <CO>
272

> <ord>
178

> <cl>
82

$$$$
C21H25NO5S
  MOLSOFT 06241911502D

 28 29  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
    4.0124   -1.7249    0.0000 C   0  0  0
    1.5876   -3.1249    0.0000 C   0  0  0
    3.5000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 N   0  0  0
    5.6000   -4.8497    0.0000 S   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.7000   -8.4870    0.0000 C   0  0  0
    6.3000   -8.4870    0.0000 C   0  0  0
    5.6000   -7.2746    0.0000 C   0  0  0
    8.4000   -9.6995    0.0000 C   0  0  0
    9.8000   -9.6995    0.0000 C   0  0  0
   10.5000  -10.9119    0.0000 C   0  0  0
   11.9000  -10.9119    0.0000 C   0  0  0
   12.6000   -9.6995    0.0000 O   0  0  0
   12.6000  -12.1244    0.0000 O   0  0  0
    7.7000  -10.9119    0.0000 O   0  0  0
    6.8124   -4.1497    0.0000 O   0  0  0
    4.3876   -5.5497    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
  8 10  1
  8 11  1
 11 12  1
 12 13  1
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 13 14  1
 13 27  2
 13 28  2
M  END
> <idnumber>
Z1682191047

> <smiles>
Cc1cccc(c1)C(C)(C)CNS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
277

> <ord>
179

> <cl>
83

$$$$
C16H15ClN2O5S
  MOLSOFT 06241911502D

 25 26  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 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
    2.8000    2.4249    0.0000 S   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    1.4000    4.8497    0.0000 C   0  0  0
    0.7000    6.0622    0.0000 C   0  0  0
    1.4000    7.2746    0.0000 C   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    3.5000    8.4870    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 C   0  0  0
    2.8000   12.1244    0.0000 C   0  0  0
    1.4000   12.1244    0.0000 O   0  0  0
    3.5000   13.3368    0.0000 O   0  0  0
    4.9000    8.4870    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   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
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 15 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
M  END
> <idnumber>
Z1373577194

> <smiles>
Cc1cc(cnc1[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
110

> <ord>
180

> <cl>
84

$$$$
C16H13N3O5S
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    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
    9.8000   -2.4249    0.0000 C   0  0  0
   11.2000   -2.4249    0.0000 N   0  0  0
    7.7000   -3.6373    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 16 17  3
 15 16  1
 15 18  2
 19 12  2
 18 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1413959183

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(C#N)nc1)(=O)=O)=O)C(O)=O

> <CO>
268

> <ord>
181

> <cl>
85

$$$$
C17H15ClN2O7S
  MOLSOFT 06241911502D

 28 29  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 C   0  0  0
    2.8000   -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
   -0.0000    2.4249    0.0000 S   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    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
   -4.9000    6.0622    0.0000 C   0  0  0
   -6.3000    6.0622    0.0000 C   0  0  0
   -7.0000    7.2746    0.0000 C   0  0  0
   -8.4000    7.2746    0.0000 C   0  0  0
   -9.1000    6.0622    0.0000 O   0  0  0
   -9.1000    8.4870    0.0000 O   0  0  0
   -4.2000    7.2746    0.0000 O   0  0  0
   -1.2124    1.7249    0.0000 O   0  0  0
    1.2124    3.1249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  8 10  1
  5  6  2
  5 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  3  4  1
  3 28  2
M  END
> <idnumber>
Z1413958696

> <smiles>
COC(c1c(ccc(n1)[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
226

> <ord>
182

> <cl>
86

$$$$
C17H18N2O7S
  MOLSOFT 06241911502D

 27 28  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 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 O   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 S   0  0  0
    4.4196    2.3458    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.9943    4.3076    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    3.9806    6.5228    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.4059    4.5610    0.0000 C   0  0  0
    6.3922    6.7763    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.3785    8.9915    0.0000 C   0  0  0
    7.2321   10.3838    0.0000 C   0  0  0
    5.9532   10.9532    0.0000 O   0  0  0
    8.3648   11.2067    0.0000 O   0  0  0
    7.6712    6.2068    0.0000 O   0  0  0
    2.4641    2.6555    0.0000 O   0  0  0
    4.1099    0.3903    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  6  2  1
  5  6  2
  6  7  1
  7  8  2
  7  9  1
  9 10  1
  4  5  1
  4 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
M  END
> <idnumber>
Z1413958440

> <smiles>
Cn1cc(cc1C(=O)OC)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
205

> <ord>
183

> <cl>
87

$$$$
C17H19N3O6S
  MOLSOFT 06241911502D

 27 28  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
    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
    0.3903   -2.4641    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 S   0  0  0
    4.4196    2.3458    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.9943    4.3076    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    3.9806    6.5228    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.4059    4.5610    0.0000 C   0  0  0
    6.3922    6.7763    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.3785    8.9915    0.0000 C   0  0  0
    7.2321   10.3838    0.0000 C   0  0  0
    5.9532   10.9532    0.0000 O   0  0  0
    8.3648   11.2067    0.0000 O   0  0  0
    7.6712    6.2068    0.0000 O   0  0  0
    2.4641    2.6555    0.0000 O   0  0  0
    4.1099    0.3903    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  8  4  1
  7  8  1
  8  9  1
  6  7  2
  6 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  3  4  1
  3 27  2
M  END
> <idnumber>
Z1413958614

> <smiles>
CNC(c1cc(cn1C)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
217

> <ord>
184

> <cl>
88

$$$$
C19H21N3O6S
  MOLSOFT 06241911502D

 29 31  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
    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 N   0  0  0
    6.9494    1.7747    0.0000 S   0  0  0
    7.6494    2.9871    0.0000 N   0  0  0
    6.9494    4.1996    0.0000 C   0  0  0
    5.5494    4.1996    0.0000 C   0  0  0
    4.8494    5.4120    0.0000 C   0  0  0
    5.5494    6.6245    0.0000 C   0  0  0
    6.9494    6.6245    0.0000 C   0  0  0
    7.6494    5.4120    0.0000 C   0  0  0
    7.6494    7.8369    0.0000 C   0  0  0
    6.9494    9.0493    0.0000 C   0  0  0
    7.6494   10.2618    0.0000 C   0  0  0
    6.9494   11.4742    0.0000 C   0  0  0
    5.5494   11.4742    0.0000 O   0  0  0
    7.6494   12.6866    0.0000 O   0  0  0
    9.0494    7.8369    0.0000 O   0  0  0
    5.7369    2.4747    0.0000 O   0  0  0
    8.1618    1.0747    0.0000 O   0  0  0
    3.1407   -2.9152    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  8  2
  8  9  1
 11  7  1
 10 11  1
  9 10  2
  9 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
  6  7  1
  6 29  2
M  END
> <idnumber>
Z1373577229

> <smiles>
C1CCN(C1)C(c1cc(c[nH]1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
138

> <ord>
185

> <cl>
89

$$$$
C18H17NO7S
  MOLSOFT 06241911502D

 27 29  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    0.0000    0.0000 O   0  0  0
    9.8000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.8000    2.4249    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 17 18  1
 18 19  1
 19 20  1
 21 16  1
 20 21  1
 10 11  1
 10 22  2
 10 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1336456398

> <smiles>
C(CC(c1ccc(cc1)S(Nc1cccc2c1OCCO2)(=O)=O)=O)C(O)=O

> <CO>
25

> <ord>
186

> <cl>
90

$$$$
C19H19NO5S
  MOLSOFT 06241911502D

 26 28  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
    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
    5.7917   -1.4000    0.0000 S   0  0  0
    7.0041   -2.1000    0.0000 N   0  0  0
    8.2166   -1.4000    0.0000 C   0  0  0
    8.2166    0.0000    0.0000 C   0  0  0
    9.4290    0.7000    0.0000 C   0  0  0
   10.6414    0.0000    0.0000 C   0  0  0
   10.6414   -1.4000    0.0000 C   0  0  0
    9.4290   -2.1000    0.0000 C   0  0  0
   11.8539   -2.1000    0.0000 C   0  0  0
   13.0663   -1.4000    0.0000 C   0  0  0
   14.2787   -2.1000    0.0000 C   0  0  0
   15.4912   -1.4000    0.0000 C   0  0  0
   15.4912    0.0000    0.0000 O   0  0  0
   16.7036   -2.1000    0.0000 O   0  0  0
   11.8539   -3.5000    0.0000 O   0  0  0
    6.4917   -0.1876    0.0000 O   0  0  0
    5.0917   -2.6124    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
  9  1  1
  8  9  1
  6  7  1
  6 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
M  END
> <idnumber>
Z1373577254

> <smiles>
C1Cc2ccc(cc2C1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
153

> <ord>
187

> <cl>
91

$$$$
C18H17NO6S
  MOLSOFT 06241911502D

 26 28  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   -0.0000    0.0000 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
    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
    9.7694   -2.7159    0.0000 C   0  0  0
    9.9157   -4.1083    0.0000 O   0  0  0
    8.6368   -4.6777    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
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  1
 16 17  1
 17 18  1
 19 15  2
 18 19  1
 20 12  2
 19 20  1
 11 12  1
 11 21  2
 11 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1413958627

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc2COCc2c1)(=O)=O)=O)C(O)=O

> <CO>
218

> <ord>
188

> <cl>
92

$$$$
C19H18ClNO6S
  MOLSOFT 06241911502D

 28 30  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  3
    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
    3.3668   -2.8000    0.0000 Cl  0  0  0
    5.7917    1.4000    0.0000 S   0  0  0
    7.0041    2.1000    0.0000 N   0  0  0
    7.0041    3.5000    0.0000 C   0  0  0
    5.7917    4.2000    0.0000 C   0  0  0
    5.7917    5.6000    0.0000 C   0  0  0
    7.0041    6.3000    0.0000 C   0  0  0
    8.2166    5.6000    0.0000 C   0  0  0
    8.2166    4.2000    0.0000 C   0  0  0
    9.4290    6.3000    0.0000 C   0  0  0
    9.4290    7.7000    0.0000 C   0  0  0
   10.6414    8.4000    0.0000 C   0  0  0
   10.6414    9.8000    0.0000 C   0  0  0
    9.4290   10.5000    0.0000 O   0  0  0
   11.8539   10.5000    0.0000 O   0  0  0
   10.6414    5.6000    0.0000 O   0  0  0
    5.0917    2.6124    0.0000 O   0  0  0
    6.4917    0.1876    0.0000 O   0  0  0
  2  1  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  7  8  2
  9  4  2
  2 10  1
  9 10  1
  8  9  1
  8 11  1
  6  7  1
  6 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
M  END
> <idnumber>
Z1413958343

> <smiles>
CC1Cc2cc(cc(c2O1)[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
192

> <ord>
189

> <cl>
93

$$$$
C18H17NO6S
  MOLSOFT 06241911502D

 26 28  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   -0.0000    0.0000 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
    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
    8.6368   -4.6777    0.0000 C   0  0  0
    9.9157   -4.1083    0.0000 C   0  0  0
    9.7694   -2.7159    0.0000 O   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 18  1
 19 15  1
 18 19  1
 16 17  1
 20 12  2
 16 20  1
 11 12  1
 11 21  2
 11 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1413959115

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc2c(CCO2)c1)(=O)=O)=O)C(O)=O

> <CO>
261

> <ord>
190

> <cl>
93

$$$$
C19H19NO6S
  MOLSOFT 06241911502D

 27 29  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  3
    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
    5.7917    1.4000    0.0000 S   0  0  0
    7.0041    2.1000    0.0000 N   0  0  0
    7.0041    3.5000    0.0000 C   0  0  0
    5.7917    4.2000    0.0000 C   0  0  0
    5.7917    5.6000    0.0000 C   0  0  0
    7.0041    6.3000    0.0000 C   0  0  0
    8.2166    5.6000    0.0000 C   0  0  0
    8.2166    4.2000    0.0000 C   0  0  0
    9.4290    6.3000    0.0000 C   0  0  0
    9.4290    7.7000    0.0000 C   0  0  0
   10.6414    8.4000    0.0000 C   0  0  0
   10.6414    9.8000    0.0000 C   0  0  0
    9.4290   10.5000    0.0000 O   0  0  0
   11.8539   10.5000    0.0000 O   0  0  0
   10.6414    5.6000    0.0000 O   0  0  0
    5.0917    2.6124    0.0000 O   0  0  0
    6.4917    0.1876    0.0000 O   0  0  0
  2  1  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  7  8  1
  9  4  1
  8  9  2
  2 10  1
  9 10  1
  6  7  2
  6 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
M  END
> <idnumber>
Z1413959189

> <smiles>
CC1Cc2cc(ccc2O1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
269

> <ord>
191

> <cl>
93

$$$$
C18H15NO7S
  MOLSOFT 06241911502D

 27 29  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   -0.0000    0.0000 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
    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
    8.1326   -4.9688    0.0000 C   0  0  0
    9.4641   -5.4014    0.0000 O   0  0  0
    7.0000   -5.7917    0.0000 O   0  0  0
    5.8674   -4.9688    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 17 19  1
 19 20  1
 21 12  2
 21 16  1
 20 21  1
 11 12  1
 11 22  2
 11 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1413958219

> <smiles>
C(CC(c1cccc(c1)NS(c1cccc2C(=O)OCc12)(=O)=O)=O)C(O)=O

> <CO>
181

> <ord>
192

> <cl>
94

$$$$
C21H19NO6S
  MOLSOFT 06241911502D

 29 31  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
    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   -2.4249    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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  3  1
 12  7  1
 11 12  2
  6  7  1
  6 13  1
 14 15  1
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 20 15  2
 19 20  1
 19 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 13 14  1
 13 28  2
 13 29  2
M  END
> <idnumber>
Z1413958563

> <smiles>
COc1ccc(c2ccccc12)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
213

> <ord>
193

> <cl>
95

$$$$
C21H21NO7S
  MOLSOFT 06241911502D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 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 S   0  0  0
    5.6000    2.4249    0.0000 N   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    5.6000    4.8497    0.0000 C   0  0  0
    5.6000    7.2746    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 C   0  0  0
    4.9000   10.9119    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 O   0  0  0
    5.6000   12.1244    0.0000 O   0  0  0
    7.0000    7.2746    0.0000 O   0  0  0
    3.6876    1.9124    0.0000 O   0  0  0
    6.1124    0.5124    0.0000 O   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  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  1  1
  5  6  1
  5  7  1
  7  8  2
 10  4  1
  9 10  2
 10 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  8  9  1
  8 28  1
 28 29  1
 28 30  2
M  END
> <idnumber>
Z1413959151

> <smiles>
C1CCc2c(C1)cc(cc2S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(O)=O

> <CO>
265

> <ord>
194

> <cl>
96

$$$$
C22H17NO6S
  MOLSOFT 06241911502D

 30 33  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   -0.0000    0.0000 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
    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
    8.6368   -4.6777    0.0000 C   0  0  0
    8.4904   -6.0700    0.0000 C   0  0  0
    9.6231   -6.8929    0.0000 C   0  0  0
   10.9020   -6.3235    0.0000 C   0  0  0
   11.0484   -4.9312    0.0000 C   0  0  0
    9.9157   -4.1083    0.0000 C   0  0  0
    9.7694   -2.7159    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 16 18  1
 18 19  1
 19 20  2
 20 21  1
 21 22  2
 23 18  2
 22 23  1
 24 15  1
 23 24  1
 11 12  1
 11 25  2
 11 26  2
  3  4  1
  3 27  2
  1  2  1
  1 28  1
 28 29  1
 28 30  2
M  END
> <idnumber>
Z1413958160

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc2c(c1)c1ccccc1o2)(=O)=O)=O)C(O)=O

> <CO>
177

> <ord>
195

> <cl>
97

$$$$
C16H15NO7S2
  MOLSOFT 06241911502D

 26 27  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 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 S   0  0  0
   -0.0423    3.7956    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.3485    3.0463    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -1.8444    5.4181    0.0000 C   0  0  0
   -3.6464    7.0407    0.0000 C   0  0  0
   -5.0158    7.3318    0.0000 C   0  0  0
   -5.4484    8.6632    0.0000 C   0  0  0
   -6.8178    8.9543    0.0000 C   0  0  0
   -7.7546    7.9139    0.0000 O   0  0  0
   -7.2505   10.2858    0.0000 O   0  0  0
   -2.7096    8.0811    0.0000 O   0  0  0
   -0.9412    2.0315    0.0000 O   0  0  0
    1.7218    2.8967    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  6  7  2
  8  4  1
  7  8  1
  5  6  1
  5  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  3  4  1
  3 26  2
M  END
> <idnumber>
Z1373577185

> <smiles>
COC(c1c(ccs1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
105

> <ord>
196

> <cl>
98

$$$$
C15H13NO7S2
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.4229   -1.2922    0.0000 C   0  0  0
    7.7544   -1.7249    0.0000 C   0  0  0
    8.8870   -0.9020    0.0000 C   0  0  0
   10.1660   -1.4714    0.0000 O   0  0  0
    8.7407    0.4904    0.0000 O   0  0  0
    7.7544   -3.1249    0.0000 S   0  0  0
    6.4229   -3.5575    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 15 16  1
 15 17  2
 14 15  1
 14 18  1
 19 12  2
 18 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1413957977

> <smiles>
C(CC(c1cccc(c1)NS(c1cc(C(O)=O)sc1)(=O)=O)=O)C(O)=O

> <CO>
165

> <ord>
197

> <cl>
99

$$$$
C14H11Cl2NO5S2
  MOLSOFT 06241911502D

 24 25  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   -0.0000    0.0000 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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.4229   -1.2922    0.0000 C   0  0  0
    7.7544   -1.7249    0.0000 C   0  0  0
    7.7544   -3.1249    0.0000 S   0  0  0
    6.4229   -3.5575    0.0000 C   0  0  0
    5.9903   -4.8890    0.0000 Cl  0  0  0
    8.8870   -0.9020    0.0000 Cl  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 16 12  2
 15 16  1
 16 17  1
 14 15  1
 14 18  1
 11 12  1
 11 19  2
 11 20  2
  3  4  1
  3 21  2
  1  2  1
  1 22  1
 22 23  1
 22 24  2
M  END
> <idnumber>
Z1373577252

> <smiles>
C(CC(c1cccc(c1)NS(c1cc(sc1[Cl])[Cl])(=O)=O)=O)C(O)=O

> <CO>
152

> <ord>
198

> <cl>
100

$$$$
C15H14BrNO5S2
  MOLSOFT 06241911502D

 24 25  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 Br  0  0  0
    0.3903    2.4641    0.0000 S   0  0  0
   -0.0423    3.7956    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.3485    3.0463    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -1.8444    5.4181    0.0000 C   0  0  0
   -3.6464    7.0407    0.0000 C   0  0  0
   -5.0158    7.3318    0.0000 C   0  0  0
   -5.4484    8.6632    0.0000 C   0  0  0
   -6.8178    8.9543    0.0000 C   0  0  0
   -7.7546    7.9139    0.0000 O   0  0  0
   -7.2505   10.2858    0.0000 O   0  0  0
   -2.7096    8.0811    0.0000 O   0  0  0
   -0.9412    2.0315    0.0000 O   0  0  0
    1.7218    2.8967    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  2  1
  5  6  1
  5  7  1
  3  4  1
  3  8  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
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
M  END
> <idnumber>
Z1413958063

> <smiles>
Cc1c(cc(s1)[Br])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
169

> <ord>
199

> <cl>
101

$$$$
C14H12BrNO5S2
  MOLSOFT 06241911502D

 23 24  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   -0.0000    0.0000 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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.4229   -1.2922    0.0000 C   0  0  0
    7.7544   -1.7249    0.0000 C   0  0  0
    7.7544   -3.1249    0.0000 C   0  0  0
    6.4229   -3.5575    0.0000 S   0  0  0
    8.8870   -3.9478    0.0000 Br  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
 15 17  1
 11 12  1
 11 18  2
 11 19  2
  3  4  1
  3 20  2
  1  2  1
  1 21  1
 21 22  1
 21 23  2
M  END
> <idnumber>
Z1373577195

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(s1)[Br])(=O)=O)=O)C(O)=O

> <CO>
111

> <ord>
200

> <cl>
102

$$$$
C14H13NO5S2
  MOLSOFT 06241911502D

 22 23  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   -0.0000    0.0000 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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.4229   -1.2922    0.0000 C   0  0  0
    7.7544   -1.7249    0.0000 C   0  0  0
    7.7544   -3.1249    0.0000 C   0  0  0
    6.4229   -3.5575    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
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
 11 12  1
 11 17  2
 11 18  2
  3  4  1
  3 19  2
  1  2  1
  1 20  1
 20 21  1
 20 22  2
M  END
> <idnumber>
Z1373577223

> <smiles>
C(CC(c1cccc(c1)NS(c1cccs1)(=O)=O)=O)C(O)=O

> <CO>
133

> <ord>
201

> <cl>
102

$$$$
C14H12BrNO5S2
  MOLSOFT 06241911502D

 23 24  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   -0.0000    0.0000 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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.4229   -1.2922    0.0000 C   0  0  0
    7.7544   -1.7249    0.0000 C   0  0  0
    7.7544   -3.1249    0.0000 C   0  0  0
    6.4229   -3.5575    0.0000 S   0  0  0
    5.9903    0.0392    0.0000 Br  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 14 15  2
 16 12  1
 15 16  1
 13 14  1
 13 17  1
 11 12  1
 11 18  2
 11 19  2
  3  4  1
  3 20  2
  1  2  1
  1 21  1
 21 22  1
 21 23  2
M  END
> <idnumber>
Z1413958881

> <smiles>
C(CC(c1cccc(c1)NS(c1c(ccs1)[Br])(=O)=O)=O)C(O)=O

> <CO>
246

> <ord>
202

> <cl>
103

$$$$
C16H15NO8S
  MOLSOFT 06241911502D

 26 27  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 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 S   0  0  0
    4.4196   -2.3458    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.8449   -0.3840    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 C   0  0  0
    8.2565   -0.6375    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    6.8312   -2.5993    0.0000 C   0  0  0
    9.2428   -2.8527    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   11.6544   -3.1062    0.0000 C   0  0  0
   12.9334   -2.5368    0.0000 C   0  0  0
   13.0797   -1.1444    0.0000 O   0  0  0
   14.0660   -3.3597    0.0000 O   0  0  0
    9.0965   -4.2451    0.0000 O   0  0  0
    4.1099   -0.3903    0.0000 O   0  0  0
    2.4641   -2.6555    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  6  7  2
  8  4  1
  7  8  1
  7  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  3  4  1
  3 26  2
M  END
> <idnumber>
Z1373577210

> <smiles>
COC(c1ccc(o1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
124

> <ord>
203

> <cl>
104

$$$$
C17H17NO8S
  MOLSOFT 06241911502D

 27 28  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
    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 S   0  0  0
    4.4196   -2.3458    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.8449   -0.3840    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 C   0  0  0
    8.2565   -0.6375    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    6.8312   -2.5993    0.0000 C   0  0  0
    9.2428   -2.8527    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   11.6544   -3.1062    0.0000 C   0  0  0
   12.9334   -2.5368    0.0000 C   0  0  0
   13.0797   -1.1444    0.0000 O   0  0  0
   14.0660   -3.3597    0.0000 O   0  0  0
    9.0965   -4.2451    0.0000 O   0  0  0
    4.1099   -0.3903    0.0000 O   0  0  0
    2.4641   -2.6555    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  8 10  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
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 10 11  1
 10 25  2
 10 26  2
  4  5  1
  4 27  2
M  END
> <idnumber>
Z1413957932

> <smiles>
CCOC(c1ccc(o1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
159

> <ord>
204

> <cl>
104

$$$$
C17H17NO8S
  MOLSOFT 06241911502D

 27 28  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 S   0  0  0
    4.4196   -2.3458    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.8449   -0.3840    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 C   0  0  0
    8.2565   -0.6375    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    6.8312   -2.5993    0.0000 C   0  0  0
    9.2428   -2.8527    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   11.6544   -3.1062    0.0000 C   0  0  0
   12.9334   -2.5368    0.0000 C   0  0  0
   13.0797   -1.1444    0.0000 O   0  0  0
   14.0660   -3.3597    0.0000 O   0  0  0
    9.0965   -4.2451    0.0000 O   0  0  0
    4.1099   -0.3903    0.0000 O   0  0  0
    2.4641   -2.6555    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 O   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
  5  7  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
 16 17  1
 17 18  1
 18 19  1
 18 20  2
 15 16  1
 15 21  2
  7  8  1
  7 22  2
  7 23  2
  3  4  1
  3 24  1
 24 25  2
 24 26  1
 26 27  1
M  END
> <idnumber>
Z1413958570

> <smiles>
Cc1c(cc(o1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)C(=O)OC

> <CO>
214

> <ord>
205

> <cl>
105

$$$$
C16H15NO7S2
  MOLSOFT 06241911502D

 26 27  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 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 S   0  0  0
    4.4196    2.3458    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.9943    4.3076    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    3.9806    6.5228    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.4059    4.5610    0.0000 C   0  0  0
    6.3922    6.7763    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.3785    8.9915    0.0000 C   0  0  0
    7.2321   10.3838    0.0000 C   0  0  0
    5.9532   10.9532    0.0000 O   0  0  0
    8.3648   11.2067    0.0000 O   0  0  0
    7.6712    6.2068    0.0000 O   0  0  0
    2.4641    2.6555    0.0000 O   0  0  0
    4.1099    0.3903    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  8  4  2
  7  8  1
  6  7  1
  6  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  3  4  1
  3 26  2
M  END
> <idnumber>
Z1413958907

> <smiles>
COC(c1cc(sc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
247

> <ord>
206

> <cl>
106

$$$$
C17H17NO8S2
  MOLSOFT 06241911502D

 28 29  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 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 S   0  0  0
    4.4196   -2.3458    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.8449   -0.3840    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 C   0  0  0
    8.2565   -0.6375    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    6.8312   -2.5993    0.0000 C   0  0  0
    9.2428   -2.8527    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   11.6544   -3.1062    0.0000 C   0  0  0
   12.9334   -2.5368    0.0000 C   0  0  0
   13.0797   -1.1444    0.0000 O   0  0  0
   14.0660   -3.3597    0.0000 O   0  0  0
    9.0965   -4.2451    0.0000 O   0  0  0
    4.1099   -0.3903    0.0000 O   0  0  0
    2.4641   -2.6555    0.0000 O   0  0  0
    3.2870    1.5229    0.0000 O   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  8  4  1
  7  8  1
  7  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  6  7  2
  6 26  1
 26 27  1
  3  4  1
  3 28  2
M  END
> <idnumber>
Z1413958084

> <smiles>
COC(c1cc(c(s1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)OC)=O

> <CO>
172

> <ord>
207

> <cl>
107

$$$$
C16H15NO7S2
  MOLSOFT 06241911502D

 26 27  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 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 S   0  0  0
    4.4196   -2.3458    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.8449   -0.3840    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 C   0  0  0
    8.2565   -0.6375    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    6.8312   -2.5993    0.0000 C   0  0  0
    9.2428   -2.8527    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   11.6544   -3.1062    0.0000 C   0  0  0
   12.9334   -2.5368    0.0000 C   0  0  0
   13.0797   -1.1444    0.0000 O   0  0  0
   14.0660   -3.3597    0.0000 O   0  0  0
    9.0965   -4.2451    0.0000 O   0  0  0
    4.1099   -0.3903    0.0000 O   0  0  0
    2.4641   -2.6555    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  6  7  2
  8  4  1
  7  8  1
  7  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
  3  4  1
  3 26  2
M  END
> <idnumber>
Z1413958466

> <smiles>
COC(c1ccc(s1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
207

> <ord>
208

> <cl>
108

$$$$
C15H13NO7S2
  MOLSOFT 06241911502D

 25 26  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   -0.0000    0.0000 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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.4229   -1.2922    0.0000 C   0  0  0
    7.7544   -1.7249    0.0000 C   0  0  0
    7.7544   -3.1249    0.0000 C   0  0  0
    8.8870   -3.9478    0.0000 C   0  0  0
    8.7407   -5.3401    0.0000 O   0  0  0
   10.1660   -3.3783    0.0000 O   0  0  0
    6.4229   -3.5575    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
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 16 17  1
 16 18  2
 15 16  1
 19 12  1
 15 19  1
 11 12  1
 11 20  2
 11 21  2
  3  4  1
  3 22  2
  1  2  1
  1 23  1
 23 24  1
 23 25  2
M  END
> <idnumber>
Z1413958976

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(C(O)=O)s1)(=O)=O)=O)C(O)=O

> <CO>
252

> <ord>
209

> <cl>
108

$$$$
C18H18FNO6S
  MOLSOFT 06241911502D

 27 28  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   -0.0000    0.0000 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
    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 O   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.8000   -4.8497    0.0000 C   0  0  0
   10.5000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
   10.5000   -8.4871    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  1
 14 15  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 11 12  1
 11 22  2
 11 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1373577174

> <smiles>
C(CC(c1cccc(c1)NS(CCOc1ccc(cc1)F)(=O)=O)=O)C(O)=O

> <CO>
96

> <ord>
210

> <cl>
109

$$$$
C15H19NO6S
  MOLSOFT 06241911502D

 23 24  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  3
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 S   0  0  0
    2.9943    4.3076    0.0000 N   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    3.9806    6.5228    0.0000 C   0  0  0
    5.1132    7.3457    0.0000 C   0  0  0
    6.3922    6.7763    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    5.4059    4.5610    0.0000 C   0  0  0
    7.8175    4.8145    0.0000 C   0  0  0
    8.9501    5.6374    0.0000 C   0  0  0
   10.2291    5.0680    0.0000 C   0  0  0
   11.3617    5.8909    0.0000 C   0  0  0
   11.2154    7.2832    0.0000 O   0  0  0
   12.6407    5.3214    0.0000 O   0  0  0
    7.9638    3.4222    0.0000 O   0  0  0
    4.5330    3.0616    0.0000 O   0  0  0
    1.7483    2.7689    0.0000 O   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
  3  2  1
  4  5  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
 14 15  1
 15 16  1
 16 17  1
 16 18  2
 13 14  1
 13 19  2
  5  6  1
  5 20  2
  5 21  2
  3  4  1
  3 22  1
 23  1  1
 22 23  1
M  END
> <idnumber>
Z1413958027

> <smiles>
C1CC(CS(Nc2cccc(c2)C(CCC(O)=O)=O)(=O)=O)OC1

> <CO>
168

> <ord>
211

> <cl>
110

$$$$
C21H21N3O5S
  MOLSOFT 06241911502D

 30 32  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
    3.2870    1.5229    0.0000 C   0  0  0
    2.1544   -0.7000    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
    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
    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 S   0  0  0
   -2.3485    3.0463    0.0000 C   0  0  0
   -3.2853    2.0059    0.0000 C   0  0  0
   -4.6547    2.2969    0.0000 C   0  0  0
   -5.0874    3.6284    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -6.4568    3.9195    0.0000 C   0  0  0
   -7.3935    2.8791    0.0000 C   0  0  0
   -8.7629    3.1702    0.0000 C   0  0  0
   -9.6997    2.1298    0.0000 C   0  0  0
   -9.2671    0.7983    0.0000 O   0  0  0
  -11.0691    2.4208    0.0000 O   0  0  0
   -6.8894    5.2510    0.0000 O   0  0  0
   -0.6881    4.1246    0.0000 O   0  0  0
   -1.2702    1.3858    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  4  6  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
  6  7  1
 13  2  2
  6 13  1
  3  4  2
  3 14  1
 14 15  1
 16 17  1
 17 18  2
 18 19  1
 21 16  2
 20 21  1
 19 20  2
 19 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 15 16  1
 15 29  2
 15 30  2
M  END
> <idnumber>
Z1336453905

> <smiles>
Cc1c(c(C)n(c2ccccc2)n1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
18

> <ord>
212

> <cl>
111

$$$$
C19H16ClN3O5S
  MOLSOFT 06241911502D

 29 31  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    0.0000    0.0000 N   0  0  0
    9.7923   -0.1463    0.0000 C   0  0  0
   10.0834   -1.5157    0.0000 C   0  0  0
    8.8710   -2.2157    0.0000 C   0  0  0
    7.8306   -1.2790    0.0000 N   0  0  0
    9.8000    2.4249    0.0000 Cl  0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 17 18  1
 18 19  1
 19 20  2
 20 21  1
 22 18  1
 21 22  2
 16 17  1
 16 23  1
 10 11  1
 10 24  2
 10 25  2
  3  4  1
  3 26  2
  1  2  1
  1 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1359453969

> <smiles>
C(CC(c1ccc(cc1)S(Nc1cccc(c1n1cccn1)[Cl])(=O)=O)=O)C(O)=O

> <CO>
53

> <ord>
213

> <cl>
112

$$$$
C20H19N3O5S
  MOLSOFT 06241911502D

 29 31  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
    3.2870    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
    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 S   0  0  0
    2.2638   -4.5449    0.0000 C   0  0  0
    3.6332   -4.2538    0.0000 C   0  0  0
    4.5700   -5.2942    0.0000 C   0  0  0
    4.1374   -6.6257    0.0000 C   0  0  0
    2.7680   -6.9168    0.0000 C   0  0  0
    1.8312   -5.8764    0.0000 C   0  0  0
    5.0742   -7.6661    0.0000 C   0  0  0
    6.4436   -7.3750    0.0000 C   0  0  0
    7.3804   -8.4154    0.0000 C   0  0  0
    8.7498   -8.1244    0.0000 C   0  0  0
    9.1824   -6.7929    0.0000 O   0  0  0
    9.6866   -9.1648    0.0000 O   0  0  0
    4.6416   -8.9976    0.0000 O   0  0  0
    0.2867   -4.4413    0.0000 O   0  0  0
    2.3675   -2.5677    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  4  5  1
  4 11  1
 12  2  1
 11 12  2
 12 13  1
 13 14  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
M  END
> <idnumber>
Z1359463732

> <smiles>
Cc1cn(c2ccccc2)nc1NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
72

> <ord>
214

> <cl>
113

$$$$
C16H19N3O5S
  MOLSOFT 06241911502D

 25 26  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
    0.8229    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 S   0  0  0
    4.4196    2.3458    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.9943    4.3076    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    3.9806    6.5228    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.4059    4.5610    0.0000 C   0  0  0
    6.3922    6.7763    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.3785    8.9915    0.0000 C   0  0  0
    7.2321   10.3838    0.0000 C   0  0  0
    5.9532   10.9532    0.0000 O   0  0  0
    8.3648   11.2067    0.0000 O   0  0  0
    7.6712    6.2068    0.0000 O   0  0  0
    2.4641    2.6555    0.0000 O   0  0  0
    4.1099    0.3903    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  5  6  2
  8  4  1
  7  8  2
  6  7  1
  6  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
M  END
> <idnumber>
Z1373577219

> <smiles>
CC(C)n1cc(cn1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
129

> <ord>
215

> <cl>
114

$$$$
C20H18ClN3O5S
  MOLSOFT 06241911502D

 30 32  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
   -0.9076   -6.4585    0.0000 Cl  0  0  0
    0.3903    2.4641    0.0000 S   0  0  0
   -0.0423    3.7956    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.3485    3.0463    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -1.8444    5.4181    0.0000 C   0  0  0
   -3.6464    7.0407    0.0000 C   0  0  0
   -5.0158    7.3318    0.0000 C   0  0  0
   -5.4484    8.6632    0.0000 C   0  0  0
   -6.8178    8.9543    0.0000 C   0  0  0
   -7.7546    7.9139    0.0000 O   0  0  0
   -7.2505   10.2858    0.0000 O   0  0  0
   -2.7096    8.0811    0.0000 O   0  0  0
   -0.9412    2.0315    0.0000 O   0  0  0
    1.7218    2.8967    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  2
  6  2  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
  3  4  1
  3 14  1
 15 16  1
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 21 16  2
 20 21  1
 20 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 14 15  1
 14 29  2
 14 30  2
M  END
> <idnumber>
Z1413958066

> <smiles>
Cc1c(cnn1c1ccc(cc1)[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
170

> <ord>
216

> <cl>
115

$$$$
C19H17N3O5S
  MOLSOFT 06241911502D

 28 30  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   -0.0000    0.0000 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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.4229   -1.2922    0.0000 C   0  0  0
    7.7544   -1.7249    0.0000 N   0  0  0
    7.7544   -3.1249    0.0000 N   0  0  0
    6.4229   -3.5575    0.0000 C   0  0  0
    8.8870   -3.9478    0.0000 C   0  0  0
   10.1660   -3.3783    0.0000 C   0  0  0
   11.2986   -4.2012    0.0000 C   0  0  0
   11.1522   -5.5936    0.0000 C   0  0  0
    9.8733   -6.1630    0.0000 C   0  0  0
    8.7407   -5.3401    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 16 12  2
 15 16  1
 15 17  1
 17 18  1
 18 19  2
 19 20  1
 20 21  2
 22 17  2
 21 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1413958586

> <smiles>
C(CC(c1cccc(c1)NS(c1cnn(c1)c1ccccc1)(=O)=O)=O)C(O)=O

> <CO>
216

> <ord>
217

> <cl>
116

$$$$
C19H16FN3O5S
  MOLSOFT 06241911502D

 29 31  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   -0.0000    0.0000 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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.4229   -1.2922    0.0000 C   0  0  0
    7.7544   -1.7249    0.0000 N   0  0  0
    7.7544   -3.1249    0.0000 N   0  0  0
    6.4229   -3.5575    0.0000 C   0  0  0
    8.8870   -3.9478    0.0000 C   0  0  0
   10.1660   -3.3783    0.0000 C   0  0  0
   11.2986   -4.2012    0.0000 C   0  0  0
   11.1522   -5.5936    0.0000 C   0  0  0
    9.8733   -6.1630    0.0000 C   0  0  0
    8.7407   -5.3401    0.0000 C   0  0  0
    7.4617   -5.9095    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 16 12  2
 15 16  1
 15 17  1
 17 18  2
 18 19  1
 19 20  2
 20 21  1
 22 17  1
 21 22  2
 22 23  1
 11 12  1
 11 24  2
 11 25  2
  3  4  1
  3 26  2
  1  2  1
  1 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1413958968

> <smiles>
C(CC(c1cccc(c1)NS(c1cnn(c1)c1ccccc1F)(=O)=O)=O)C(O)=O

> <CO>
251

> <ord>
218

> <cl>
116

$$$$
C20H19N3O6S
  MOLSOFT 06241911502D

 30 32  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
    0.5694   -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 N   0  0  0
   -0.3246   -6.0329    0.0000 S   0  0  0
   -0.1783   -7.4253    0.0000 N   0  0  0
    1.1007   -7.9947    0.0000 C   0  0  0
    2.2333   -7.1718    0.0000 C   0  0  0
    3.5123   -7.7412    0.0000 C   0  0  0
    3.6586   -9.1336    0.0000 C   0  0  0
    2.5260   -9.9565    0.0000 C   0  0  0
    1.2470   -9.3870    0.0000 C   0  0  0
    2.6723  -11.3488    0.0000 C   0  0  0
    3.9513  -11.9182    0.0000 C   0  0  0
    4.0976  -13.3106    0.0000 C   0  0  0
    5.3766  -13.8800    0.0000 C   0  0  0
    6.5092  -13.0571    0.0000 O   0  0  0
    5.5229  -15.2723    0.0000 O   0  0  0
    1.5397  -12.1717    0.0000 O   0  0  0
    1.0677   -5.8866    0.0000 O   0  0  0
   -1.7170   -6.1793    0.0000 O   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
 13  9  1
 12 13  2
 11 12  1
 11 14  1
 15 16  1
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 21 16  2
 20 21  1
 20 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 14 15  1
 14 29  2
 14 30  2
M  END
> <idnumber>
Z1413958950

> <smiles>
COc1ccccc1n1cc(cn1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
250

> <ord>
219

> <cl>
117

$$$$
C20H19N3O5S
  MOLSOFT 06241911502D

 29 31  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    7.7000    3.6373    0.0000 C   0  0  0
    8.4000    4.8497    0.0000 C   0  0  0
    7.7000    6.0622    0.0000 N   0  0  0
    6.3077    6.2085    0.0000 C   0  0  0
    6.0166    7.5779    0.0000 C   0  0  0
    7.2290    8.2779    0.0000 C   0  0  0
    8.2694    7.3411    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 16 17  1
 17 18  1
 18 19  2
 19 20  1
 21 17  1
 20 21  2
 15 16  1
 15 22  2
 23 12  2
 22 23  1
 10 11  1
 10 24  2
 10 25  2
  3  4  1
  3 26  2
  1  2  1
  1 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1336456020

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(Cn2cccn2)cc1)(=O)=O)=O)C(O)=O

> <CO>
20

> <ord>
220

> <cl>
118

$$$$
C19H18N4O5S
  MOLSOFT 06241911502D

 29 31  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    0.0000    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 N   0  0  0
   10.6229    1.1326    0.0000 C   0  0  0
   11.9544    0.7000    0.0000 N   0  0  0
   11.9544   -0.7000    0.0000 C   0  0  0
   10.6229   -1.1326    0.0000 N   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 18 19  1
 19 20  1
 20 21  2
 21 22  1
 23 19  1
 22 23  2
 10 11  1
 10 24  2
 10 25  2
  3  4  1
  3 26  2
  1  2  1
  1 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1336456420

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccccc1Cn1cncn1)(=O)=O)=O)C(O)=O

> <CO>
26

> <ord>
221

> <cl>
119

$$$$
C16H19N3O6S
  MOLSOFT 06241911502D

 26 27  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   -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 S   0  0  0
    2.9943    4.3076    0.0000 C   0  0  0
    1.7154    4.8770    0.0000 C   0  0  0
    1.5690    6.2693    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.9806    6.5228    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    2.5553    8.4846    0.0000 C   0  0  0
    1.2763    9.0540    0.0000 C   0  0  0
    1.1300   10.4463    0.0000 C   0  0  0
   -0.1490   11.0157    0.0000 C   0  0  0
   -1.2816   10.1928    0.0000 O   0  0  0
   -0.2953   12.4081    0.0000 O   0  0  0
    3.6879    9.3075    0.0000 O   0  0  0
    4.5330    3.0616    0.0000 O   0  0  0
    1.7483    2.7689    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  9  5  1
  8  9  2
  7  8  1
  7 10  1
 10 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1359453584

> <smiles>
COCCn1cc(cn1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
50

> <ord>
222

> <cl>
120

$$$$
C18H23N3O6S
  MOLSOFT 06241911502D

 28 29  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
    3.2870    1.5229    0.0000 C   0  0  0
    2.1544   -0.7000    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
    5.6986   -1.7764    0.0000 O   0  0  0
    6.9776   -1.2069    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
   -0.9791    2.7552    0.0000 S   0  0  0
   -2.3485    3.0463    0.0000 C   0  0  0
   -3.2853    2.0059    0.0000 C   0  0  0
   -4.6547    2.2969    0.0000 C   0  0  0
   -5.0874    3.6284    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -6.4568    3.9195    0.0000 C   0  0  0
   -7.3935    2.8791    0.0000 C   0  0  0
   -8.7629    3.1702    0.0000 C   0  0  0
   -9.6997    2.1298    0.0000 C   0  0  0
   -9.2671    0.7983    0.0000 O   0  0  0
  -11.0691    2.4208    0.0000 O   0  0  0
   -6.8894    5.2510    0.0000 O   0  0  0
   -0.6881    4.1246    0.0000 O   0  0  0
   -1.2702    1.3858    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  4  6  1
  7  8  1
  8  9  1
  9 10  1
  6  7  1
 11  2  2
  6 11  1
  3  4  2
  3 12  1
 12 13  1
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 13 14  1
 13 27  2
 13 28  2
M  END
> <idnumber>
Z1359471940

> <smiles>
Cc1c(c(C)n(CCOC)n1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
92

> <ord>
223

> <cl>
120

$$$$
C16H19N3O6S
  MOLSOFT 06241911502D

 26 27  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   -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 N   0  0  0
    4.5660   -0.9535    0.0000 S   0  0  0
    5.8449   -0.3840    0.0000 C   0  0  0
    5.9913    1.0083    0.0000 C   0  0  0
    7.2702    1.5777    0.0000 C   0  0  0
    8.4029    0.7548    0.0000 C   0  0  0
    8.2565   -0.6375    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    9.6818    1.3243    0.0000 C   0  0  0
    9.8282    2.7166    0.0000 C   0  0  0
   11.1071    3.2860    0.0000 C   0  0  0
   11.2535    4.6783    0.0000 C   0  0  0
   10.1208    5.5012    0.0000 O   0  0  0
   12.5324    5.2478    0.0000 O   0  0  0
   10.8144    0.5014    0.0000 O   0  0  0
    3.9965    0.3255    0.0000 O   0  0  0
    5.1354   -2.2324    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  9 10  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
 10 11  1
 10 24  2
 10 25  2
  8  9  1
 26  5  1
  8 26  2
M  END
> <idnumber>
Z1359460412

> <smiles>
COCCn1ccc(NS(c2ccc(cc2)C(CCC(O)=O)=O)(=O)=O)n1

> <CO>
63

> <ord>
224

> <cl>
121

$$$$
C16H17F2N3O5S
  MOLSOFT 06241911502D

 27 28  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
    3.2870    1.5229    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 F   0  0  0
    4.5660   -0.9535    0.0000 F   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 S   0  0  0
   -2.3485    3.0463    0.0000 C   0  0  0
   -3.2853    2.0059    0.0000 C   0  0  0
   -4.6547    2.2969    0.0000 C   0  0  0
   -5.0874    3.6284    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -6.4568    3.9195    0.0000 C   0  0  0
   -7.3935    2.8791    0.0000 C   0  0  0
   -8.7629    3.1702    0.0000 C   0  0  0
   -9.6997    2.1298    0.0000 C   0  0  0
   -9.2671    0.7983    0.0000 O   0  0  0
  -11.0691    2.4208    0.0000 O   0  0  0
   -6.8894    5.2510    0.0000 O   0  0  0
   -0.6881    4.1246    0.0000 O   0  0  0
   -1.2702    1.3858    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  4  6  1
  7  8  1
  7  9  1
  6  7  1
 10  2  2
  6 10  1
  3  4  2
  3 11  1
 11 12  1
 13 14  1
 14 15  2
 15 16  1
 18 13  2
 17 18  1
 16 17  2
 16 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 12 13  1
 12 26  2
 12 27  2
M  END
> <idnumber>
Z1359463789

> <smiles>
Cc1c(c(C)n(C(F)F)n1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
73

> <ord>
225

> <cl>
122

$$$$
C14H15N3O5S
  MOLSOFT 06241911502D

 23 24  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 S   0  0  0
    4.4196   -2.3458    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.8449   -0.3840    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 C   0  0  0
    8.2565   -0.6375    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    6.8312   -2.5993    0.0000 C   0  0  0
    9.2428   -2.8527    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   11.6544   -3.1062    0.0000 C   0  0  0
   12.9334   -2.5368    0.0000 C   0  0  0
   13.0797   -1.1444    0.0000 O   0  0  0
   14.0660   -3.3597    0.0000 O   0  0  0
    9.0965   -4.2451    0.0000 O   0  0  0
    4.1099   -0.3903    0.0000 O   0  0  0
    2.4641   -2.6555    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
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
 16 17  1
 17 18  1
 18 19  1
 18 20  2
 15 16  1
 15 21  2
  7  8  1
  7 22  2
  7 23  2
M  END
> <idnumber>
Z1413958730

> <smiles>
Cn1ccc(n1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
229

> <ord>
226

> <cl>
123

$$$$
C14H15N3O5S
  MOLSOFT 06241911502D

 23 24  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 S   0  0  0
   -0.0423    3.7956    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.3485    3.0463    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -1.8444    5.4181    0.0000 C   0  0  0
   -3.6464    7.0407    0.0000 C   0  0  0
   -5.0158    7.3318    0.0000 C   0  0  0
   -5.4484    8.6632    0.0000 C   0  0  0
   -6.8178    8.9543    0.0000 C   0  0  0
   -7.7546    7.9139    0.0000 O   0  0  0
   -7.2505   10.2858    0.0000 O   0  0  0
   -2.7096    8.0811    0.0000 O   0  0  0
   -0.9412    2.0315    0.0000 O   0  0  0
    1.7218    2.8967    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  6  2  1
  5  6  2
  3  4  2
  3  7  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
 16 17  1
 17 18  1
 18 19  1
 18 20  2
 15 16  1
 15 21  2
  7  8  1
  7 22  2
  7 23  2
M  END
> <idnumber>
Z1413958921

> <smiles>
Cn1c(ccn1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
249

> <ord>
227

> <cl>
123

$$$$
C15H17N3O5S
  MOLSOFT 06241911502D

 24 25  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
    3.2870    1.5229    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 S   0  0  0
   -0.0423    3.7956    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.3485    3.0463    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -1.8444    5.4181    0.0000 C   0  0  0
   -3.6464    7.0407    0.0000 C   0  0  0
   -5.0158    7.3318    0.0000 C   0  0  0
   -5.4484    8.6632    0.0000 C   0  0  0
   -6.8178    8.9543    0.0000 C   0  0  0
   -7.7546    7.9139    0.0000 O   0  0  0
   -7.2505   10.2858    0.0000 O   0  0  0
   -2.7096    8.0811    0.0000 O   0  0  0
   -0.9412    2.0315    0.0000 O   0  0  0
    1.7218    2.8967    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  4  6  1
  7  2  2
  6  7  1
  3  4  2
  3  8  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
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
M  END
> <idnumber>
Z1413958128

> <smiles>
Cc1c(c(C)[nH]n1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
175

> <ord>
228

> <cl>
124

$$$$
C23H19N3O5S
  MOLSOFT 06241911502D

 32 35  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.4000    4.8497    0.0000 N   0  0  0
    7.8306    6.1287    0.0000 C   0  0  0
    8.8710    7.0655    0.0000 N   0  0  0
   10.0834    6.3655    0.0000 C   0  0  0
   11.4149    6.7981    0.0000 C   0  0  0
   12.4553    5.8613    0.0000 C   0  0  0
   12.1642    4.4919    0.0000 C   0  0  0
   10.8327    4.0593    0.0000 C   0  0  0
    9.7923    4.9961    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 18 19  1
 19 20  2
 20 21  1
 21 22  1
 22 23  2
 23 24  1
 24 25  2
 26 18  1
 26 21  2
 25 26  1
 10 11  1
 10 27  2
 10 28  2
  3  4  1
  3 29  2
  1  2  1
  1 30  1
 30 31  1
 30 32  2
M  END
> <idnumber>
Z1336453393

> <smiles>
C(CC(c1ccc(cc1)S(Nc1ccc(cc1)n1cnc2ccccc12)(=O)=O)=O)C(O)=O

> <CO>
16

> <ord>
229

> <cl>
125

$$$$
C19H18N2O5S
  MOLSOFT 06241911502D

 27 29  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 S   0  0  0
    5.7917    4.2000    0.0000 C   0  0  0
    4.5792    4.9000    0.0000 C   0  0  0
    4.5792    6.3000    0.0000 C   0  0  0
    5.7917    7.0000    0.0000 C   0  0  0
    7.0041    6.3000    0.0000 C   0  0  0
    7.0041    4.9000    0.0000 C   0  0  0
    5.7917    8.4000    0.0000 C   0  0  0
    4.5792    9.1000    0.0000 C   0  0  0
    4.5792   10.5000    0.0000 C   0  0  0
    3.3668   11.2000    0.0000 C   0  0  0
    2.1544   10.5000    0.0000 O   0  0  0
    3.3668   12.6000    0.0000 O   0  0  0
    7.0041    9.1000    0.0000 O   0  0  0
    7.1917    2.8000    0.0000 O   0  0  0
    4.3917    2.8000    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
 13 14  1
 14 15  2
 15 16  1
 18 13  2
 17 18  1
 16 17  2
 16 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 12 13  1
 12 26  2
 12 27  2
M  END
> <idnumber>
Z1359450694

> <smiles>
Cc1cc2cc(ccc2[nH]1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
43

> <ord>
230

> <cl>
126

$$$$
C21H22N2O5S
  MOLSOFT 06241911502D

 29 31  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 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    1.2811   -4.8082    0.0000 N   0  0  0
    2.3216   -5.7450    0.0000 S   0  0  0
    3.3620   -6.6818    0.0000 C   0  0  0
    4.6934   -6.2492    0.0000 C   0  0  0
    5.7338   -7.1859    0.0000 C   0  0  0
    5.4428   -8.5554    0.0000 C   0  0  0
    4.1113   -8.9880    0.0000 C   0  0  0
    3.0709   -8.0512    0.0000 C   0  0  0
    6.4832   -9.4921    0.0000 C   0  0  0
    7.8146   -9.0595    0.0000 C   0  0  0
    8.8550   -9.9963    0.0000 C   0  0  0
   10.1865   -9.5637    0.0000 C   0  0  0
   10.4776   -8.1943    0.0000 O   0  0  0
   11.2269  -10.5004    0.0000 O   0  0  0
    6.1921  -10.8615    0.0000 O   0  0  0
    3.2583   -4.7046    0.0000 O   0  0  0
    1.3848   -6.7854    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12  4  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 13 14  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
M  END
> <idnumber>
Z1359466800

> <smiles>
CCCn1ccc2ccc(cc12)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
83

> <ord>
231

> <cl>
127

$$$$
C20H18N2O5S
  MOLSOFT 06241911502D

 28 30  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
    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 S   0  0  0
    5.6000   -2.4249    0.0000 N   0  0  0
    7.0000   -2.4249    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   -2.4249    0.0000 C   0  0  0
    9.1000   -3.6373    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    9.8000   -4.8497    0.0000 C   0  0  0
   11.2000   -4.8497    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 C   0  0  0
   13.3000   -6.0622    0.0000 C   0  0  0
   14.0000   -4.8497    0.0000 O   0  0  0
   14.0000   -7.2746    0.0000 O   0  0  0
    9.1000   -6.0622    0.0000 O   0  0  0
    6.1124   -0.5124    0.0000 O   0  0  0
    3.6876   -1.9124    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  9 10  1
 11  2  1
 10 11  2
  8  9  1
  8 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
M  END
> <idnumber>
Z1373577206

> <smiles>
Cc1cc2cccc(c2nc1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
120

> <ord>
232

> <cl>
128

$$$$
C19H16N2O5S
  MOLSOFT 06241911502D

 27 29  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 19 20  1
 21 12  1
 21 16  1
 20 21  2
 11 12  1
 11 22  2
 11 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1413958785

> <smiles>
C(CC(c1cccc(c1)NS(c1cccc2cccnc12)(=O)=O)=O)C(O)=O

> <CO>
238

> <ord>
233

> <cl>
128

$$$$
C19H15FN2O5S
  MOLSOFT 06241911502D

 28 30  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   -0.0000    0.0000 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
    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
    5.6000   -4.8497    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 N   0  0  0
    9.8000   -2.4249    0.0000 F   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  2
 17 12  1
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 21 16  2
 20 21  1
 15 16  1
 15 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1373577207

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc(c2c1cccn2)F)(=O)=O)=O)C(O)=O

> <CO>
121

> <ord>
234

> <cl>
129

$$$$
C20H18N2O6S
  MOLSOFT 06241911502D

 29 31  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
    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   -2.4249    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 S   0  0  0
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  3  1
 12  7  1
 11 12  2
  6  7  1
  6 13  1
 14 15  1
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 20 15  2
 19 20  1
 19 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 13 14  1
 13 28  2
 13 29  2
M  END
> <idnumber>
Z1413957956

> <smiles>
COc1ccc(c2cccnc12)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
162

> <ord>
235

> <cl>
130

$$$$
C20H17ClN2O6S
  MOLSOFT 06241911502D

 30 32  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
    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 Cl  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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    0.0000 O   0  0  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
 11  6  2
 10 11  1
 10 12  1
  7  8  2
 13  3  2
  7 13  1
 13 14  1
 15 16  1
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 21 16  2
 20 21  1
 20 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 14 15  1
 14 29  2
 14 30  2
M  END
> <idnumber>
Z1413958282

> <smiles>
COc1ccc2c(ccc(n2)[Cl])c1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
187

> <ord>
236

> <cl>
131

$$$$
C19H16N2O6S
  MOLSOFT 06241911502D

 28 30  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 C   0  0  0
    9.8000   -4.8497    0.0000 C   0  0  0
   10.5000   -3.6373    0.0000 C   0  0  0
    9.8000   -2.4249    0.0000 N   0  0  0
   11.9000   -3.6373    0.0000 O   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 18  2
 18 19  1
 20 15  1
 19 20  1
 19 21  2
 16 17  1
 22 12  2
 16 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1413958687

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)=O)C(O)=O

> <CO>
225

> <ord>
237

> <cl>
132

$$$$
C19H16N2O5S
  MOLSOFT 06241911502D

 27 29  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 C   0  0  0
    9.8000   -4.8497    0.0000 C   0  0  0
   10.5000   -3.6373    0.0000 C   0  0  0
    9.8000   -2.4249    0.0000 N   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  1
 17 18  1
 18 19  2
 20 15  2
 19 20  1
 16 17  2
 21 12  2
 16 21  1
 11 12  1
 11 22  2
 11 23  2
  3  4  1
  3 24  2
  1  2  1
  1 25  1
 25 26  1
 25 27  2
M  END
> <idnumber>
Z1413958988

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc2c(cccn2)c1)(=O)=O)=O)C(O)=O

> <CO>
254

> <ord>
238

> <cl>
133

$$$$
C17H15N3O5S
  MOLSOFT 06241911502D

 26 28  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   -0.0000    0.0000 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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.4229   -1.2922    0.0000 C   0  0  0
    7.7544   -1.7249    0.0000 N   0  0  0
    7.7544   -3.1249    0.0000 C   0  0  0
    6.4229   -3.5575    0.0000 C   0  0  0
    6.1318   -4.9269    0.0000 C   0  0  0
    7.1722   -5.8637    0.0000 C   0  0  0
    8.5037   -5.4311    0.0000 C   0  0  0
    8.7948   -4.0617    0.0000 N   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  1
 16 12  1
 15 16  2
 16 17  1
 17 18  2
 18 19  1
 20 15  1
 19 20  2
 11 12  1
 11 21  2
 11 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1373577255

> <smiles>
C(CC(c1cccc(c1)NS(c1c[nH]c2c1cccn2)(=O)=O)=O)C(O)=O

> <CO>
154

> <ord>
239

> <cl>
134

$$$$
C21H22N2O6S
  MOLSOFT 06241911502D

 30 32  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  3
    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
   -0.9791   -2.7552    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 O   0  0  0
    5.7917    1.4000    0.0000 S   0  0  0
    7.0041    2.1000    0.0000 N   0  0  0
    7.0041    3.5000    0.0000 C   0  0  0
    5.7917    4.2000    0.0000 C   0  0  0
    5.7917    5.6000    0.0000 C   0  0  0
    7.0041    6.3000    0.0000 C   0  0  0
    8.2166    5.6000    0.0000 C   0  0  0
    8.2166    4.2000    0.0000 C   0  0  0
    9.4290    6.3000    0.0000 C   0  0  0
    9.4290    7.7000    0.0000 C   0  0  0
   10.6414    8.4000    0.0000 C   0  0  0
   10.6414    9.8000    0.0000 C   0  0  0
    9.4290   10.5000    0.0000 O   0  0  0
   11.8539   10.5000    0.0000 O   0  0  0
   10.6414    5.6000    0.0000 O   0  0  0
    5.0917    2.6124    0.0000 O   0  0  0
    6.4917    0.1876    0.0000 O   0  0  0
  2  1  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  7  8  1
  9  4  1
  8  9  2
  2 10  1
  9 10  1
 10 11  1
 11 12  1
 11 13  2
  6  7  2
  6 14  1
 15 16  1
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 21 16  2
 20 21  1
 20 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 14 15  1
 14 29  2
 14 30  2
M  END
> <idnumber>
Z1373577204

> <smiles>
CC1Cc2cc(ccc2N1C(C)=O)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
119

> <ord>
240

> <cl>
135

$$$$
C21H22N2O6S
  MOLSOFT 06241911502D

 30 32  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 N   0  0  0
   -7.7000   -3.6373    0.0000 C   0  0  0
   -8.4000   -4.8497    0.0000 C   0  0  0
   -7.7000   -6.0622    0.0000 C   0  0  0
   -6.3000   -6.0622    0.0000 C   0  0  0
   -5.6000   -7.2746    0.0000 C   0  0  0
   -4.2000   -7.2746    0.0000 C   0  0  0
   -3.5000   -6.0622    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
   -2.1000   -6.0622    0.0000 S   0  0  0
   -0.7000   -6.0622    0.0000 N   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   -8.4870    0.0000 C   0  0  0
    1.4000   -9.6995    0.0000 C   0  0  0
    0.0000   -9.6995    0.0000 C   0  0  0
   -0.7000   -8.4870    0.0000 C   0  0  0
   -0.7000  -10.9119    0.0000 C   0  0  0
    0.0000  -12.1244    0.0000 C   0  0  0
   -0.7000  -13.3368    0.0000 C   0  0  0
    0.0000  -14.5492    0.0000 C   0  0  0
    1.4000  -14.5492    0.0000 O   0  0  0
   -0.7000  -15.7617    0.0000 O   0  0  0
   -2.1000  -10.9119    0.0000 O   0  0  0
   -2.1000   -7.4622    0.0000 O   0  0  0
   -2.1000   -4.6622    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 12  3  1
 12  7  1
 11 12  2
 10 11  1
 10 13  1
 14 15  1
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 20 15  2
 19 20  1
 19 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 13 14  1
 13 28  2
 13 29  2
  2  3  1
  2 30  2
M  END
> <idnumber>
Z1413958425

> <smiles>
CC(N1CCCc2ccc(cc12)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
204

> <ord>
241

> <cl>
136

$$$$
C19H18N2O6S
  MOLSOFT 06241911502D

 28 30  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   -0.0000    0.0000 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
    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
    8.4000   -4.8497    0.0000 C   0  0  0
    9.8000   -4.8497    0.0000 C   0  0  0
   10.5000   -3.6373    0.0000 C   0  0  0
    9.8000   -2.4249    0.0000 N   0  0  0
   11.9000   -3.6373    0.0000 O   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  1
 13 14  2
 14 15  1
 15 16  2
 17 18  1
 18 19  1
 20 15  1
 19 20  1
 19 21  2
 16 17  1
 22 12  2
 16 22  1
 11 12  1
 11 23  2
 11 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1373577209

> <smiles>
C(CC(c1cccc(c1)NS(c1ccc2c(CCC(N2)=O)c1)(=O)=O)=O)C(O)=O

> <CO>
123

> <ord>
242

> <cl>
137

$$$$
C19H17FN2O6S
  MOLSOFT 06241911502D

 29 31  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   -0.0000    0.0000 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
    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    0.0000    0.0000 C   0  0  0
    9.8000   -0.0000    0.0000 C   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
    9.8000   -2.4249    0.0000 N   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
    5.6000   -4.8497    0.0000 F   0  0  0
   11.9000   -1.2124    0.0000 O   0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 13 14  1
 14 15  1
 15 16  1
 16 17  1
 19 14  2
 18 19  1
 19 20  1
 21 12  1
 20 21  2
 21 22  1
 17 18  1
 17 23  2
 11 12  1
 11 24  2
 11 25  2
  3  4  1
  3 26  2
  1  2  1
  1 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1413959167

> <smiles>
C(CC(c1cccc(c1)NS(c1cc2CCC(Nc2cc1F)=O)(=O)=O)=O)C(O)=O

> <CO>
267

> <ord>
243

> <cl>
137

$$$$
C20H20N2O6S
  MOLSOFT 06241911502D

 29 31  0  0  0  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
   -1.0404   -0.9368    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
    3.1948   -1.6368    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    1.2811   -4.8082    0.0000 S   0  0  0
    0.9901   -6.1776    0.0000 N   0  0  0
    2.0305   -7.1144    0.0000 C   0  0  0
    3.3620   -6.6818    0.0000 C   0  0  0
    4.4024   -7.6186    0.0000 C   0  0  0
    4.1113   -8.9880    0.0000 C   0  0  0
    2.7798   -9.4206    0.0000 C   0  0  0
    1.7394   -8.4838    0.0000 C   0  0  0
    2.4887  -10.7900    0.0000 C   0  0  0
    3.5291  -11.7268    0.0000 C   0  0  0
    3.2381  -13.0962    0.0000 C   0  0  0
    4.2785  -14.0330    0.0000 C   0  0  0
    5.6099  -13.6004    0.0000 O   0  0  0
    3.9874  -15.4024    0.0000 O   0  0  0
    1.1572  -11.2226    0.0000 O   0  0  0
    2.6506   -5.0993    0.0000 O   0  0  0
   -0.0883   -4.5171    0.0000 O   0  0  0
    0.3903    2.4641    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 11  2  1
 11  6  1
 10 11  2
  9 10  1
  9 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 18 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 12 13  1
 12 27  2
 12 28  2
  4  5  1
  4 29  2
M  END
> <idnumber>
Z1413959003

> <smiles>
CC1(C)C(Nc2ccc(cc12)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
255

> <ord>
244

> <cl>
138

$$$$
C17H15N3O5S
  MOLSOFT 06241911502D

 26 28  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    8.6368    0.1720    0.0000 C   0  0  0
    9.9157    0.7415    0.0000 N   0  0  0
    9.7694    2.1338    0.0000 N   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  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
 18 19  2
 20 16  1
 19 20  1
 10 11  1
 10 21  2
 10 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1336456245

> <smiles>
C(CC(c1ccc(cc1)S(Nc1cccc2c1cn[nH]2)(=O)=O)=O)C(O)=O

> <CO>
22

> <ord>
245

> <cl>
139

$$$$
C15H22N2O5S
  MOLSOFT 06241911502D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -7.0000   -4.8497    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
   -2.8000   -2.4249    0.0000 N   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 S   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
    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 O   0  0  0
    7.0000   -4.8497    0.0000 O   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  5  7  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
 16 17  1
 17 18  1
 18 19  1
 18 20  2
 15 16  1
 15 21  2
  7  8  1
  7 22  2
  7 23  2
M  END
> <idnumber>
Z1373577235

> <smiles>
CCCCN(C)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
142

> <ord>
246

> <cl>
140

$$$$
C13H18N2O5S
  MOLSOFT 06241911502D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -4.9000   -3.6373    0.0000 C   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
   -2.1000   -1.2124    0.0000 S   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
    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 O   0  0  0
    7.0000   -4.8497    0.0000 O   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  3  5  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
 14 15  1
 15 16  1
 16 17  1
 16 18  2
 13 14  1
 13 19  2
  5  6  1
  5 20  2
  5 21  2
M  END
> <idnumber>
Z1413959028

> <smiles>
CCN(C)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
256

> <ord>
247

> <cl>
140

$$$$
C17H24N2O5S
  MOLSOFT 06241911502D

 25 26  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  3
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  3
    2.8000    2.4249    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 S   0  0  0
    3.5000   -3.6373    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    7.7000   -3.6373    0.0000 C   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    5.6000   -4.8497    0.0000 C   0  0  0
    7.7000   -6.0622    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 C   0  0  0
   11.2000   -7.2746    0.0000 C   0  0  0
   11.9000   -6.0622    0.0000 O   0  0  0
   11.9000   -8.4871    0.0000 O   0  0  0
    7.0000   -7.2746    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   0  0  0
  2  1  1
  2  3  1
  4  3  1
  4  5  1
  4  6  1
  6  7  1
  2  8  1
  7  8  1
  7  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
M  END
> <idnumber>
Z1413957891

> <smiles>
CC1CC(C)CN(C1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
156

> <ord>
248

> <cl>
141

$$$$
C14H18N2O5S
  MOLSOFT 06241911502D

 22 23  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 S   0  0  0
    4.4196   -2.3458    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.8449   -0.3840    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 C   0  0  0
    8.2565   -0.6375    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    6.8312   -2.5993    0.0000 C   0  0  0
    9.2428   -2.8527    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   11.6544   -3.1062    0.0000 C   0  0  0
   12.9334   -2.5368    0.0000 C   0  0  0
   13.0797   -1.1444    0.0000 O   0  0  0
   14.0660   -3.3597    0.0000 O   0  0  0
    9.0965   -4.2451    0.0000 O   0  0  0
    4.1099   -0.3903    0.0000 O   0  0  0
    2.4641   -2.6555    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  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
 12 14  1
 15 16  1
 16 17  1
 17 18  1
 17 19  2
 14 15  1
 14 20  2
  6  7  1
  6 21  2
  6 22  2
M  END
> <idnumber>
Z1413958377

> <smiles>
C1CCN(C1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
201

> <ord>
249

> <cl>
141

$$$$
C15H20N2O5S
  MOLSOFT 06241911502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    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
    5.6000    0.0000    0.0000 N   0  0  0
    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
    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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 C   0  0  0
   12.6000    4.8497    0.0000 C   0  0  0
   11.9000    6.0622    0.0000 O   0  0  0
   14.0000    4.8497    0.0000 O   0  0  0
   10.5000    1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    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
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
 16 17  1
 17 18  1
 18 19  1
 18 20  2
 15 16  1
 15 21  2
  7  8  1
  7 22  2
  7 23  2
M  END
> <idnumber>
Z1413959097

> <smiles>
C1CCN(CC1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
258

> <ord>
250

> <cl>
141

$$$$
C12H16N2O5S
  MOLSOFT 06241911502D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -3.6373    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   -1.2124    0.0000 S   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
    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 O   0  0  0
    7.0000   -4.8497    0.0000 O   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  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
 13 14  1
 14 15  1
 15 16  1
 15 17  2
 12 13  1
 12 18  2
  4  5  1
  4 19  2
  4 20  2
M  END
> <idnumber>
Z1413958830

> <smiles>
CN(C)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
241

> <ord>
251

> <cl>
142

$$$$
C11H13NO5S
  MOLSOFT 06241911502D

 18 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
   -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
    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 O   0  0  0
    7.0000   -4.8497    0.0000 O   0  0  0
    2.1000   -3.6373    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
   -2.8000   -2.4249    0.0000 O   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
  8 10  1
 11 12  1
 12 13  1
 13 14  1
 13 15  2
 10 11  1
 10 16  2
  2  3  1
  2 17  2
  2 18  2
M  END
> <idnumber>
Z1413958389

> <smiles>
CS(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
202

> <ord>
252

> <cl>
143

$$$$
C21H21F2NO5S
  MOLSOFT 06241911502D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    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 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
   -3.5000   -3.6373    0.0000 F   0  0  0
   -2.1000   -6.0622    0.0000 F   0  0  0
    2.8000    2.4249    0.0000 S   0  0  0
    3.5000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    3.5000    6.0622    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    5.6000    4.8497    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    5.6000    7.2746    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    5.6000    9.6995    0.0000 C   0  0  0
    4.9000   10.9119    0.0000 C   0  0  0
    3.5000   10.9119    0.0000 O   0  0  0
    5.6000   12.1244    0.0000 O   0  0  0
    7.0000    7.2746    0.0000 O   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  6  1  1
  5  6  1
  6  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
  3  4  1
  3 15  1
 16 17  1
 17 18  2
 18 19  1
 21 16  2
 20 21  1
 19 20  2
 19 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 15 16  1
 15 29  2
 15 30  2
M  END
> <idnumber>
Z1359463303

> <smiles>
C1CN(CCC1c1ccc(c(c1)F)F)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
69

> <ord>
253

> <cl>
144

$$$$
C17H23NO5S
  MOLSOFT 06241911502D

 24 25  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 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  2
    2.8000   -2.4249    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
    5.6000    0.0000    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 C   0  0  0
    7.7000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    9.8000    0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 C   0  0  0
   12.6000    2.4249    0.0000 C   0  0  0
   11.9000    3.6373    0.0000 O   0  0  0
   14.0000    2.4249    0.0000 O   0  0  0
   10.5000   -1.2124    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
  2  1  1  6
  2  3  1
  3  4  1
  4  5  1
  6  7  1  6
  2  8  1
  6  8  1
  6  5  1
  5  9  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  9 10  1
  9 23  2
  9 24  2
M  END
> <idnumber>
Z2406362147

> <smiles>
C[C@@H]1CCN([C@H](C)C1)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
282

> <ord>
254

> <cl>
145

$$$$
C17H23NO6S
  MOLSOFT 06241911502D

 25 26  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
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  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
    0.7000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 S   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -7.0000   -2.4249    0.0000 C   0  0  0
   -7.7000   -1.2124    0.0000 C   0  0  0
   -7.0000   -0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -9.1000   -1.2124    0.0000 C   0  0  0
   -9.8000   -2.4249    0.0000 C   0  0  0
  -11.2000   -2.4249    0.0000 C   0  0  0
  -11.9000   -3.6373    0.0000 C   0  0  0
  -11.2000   -4.8497    0.0000 O   0  0  0
  -13.3000   -3.6373    0.0000 O   0  0  0
   -9.8000    0.0000    0.0000 O   0  0  0
   -3.5000   -2.6124    0.0000 O   0  0  0
   -3.5000    0.1876    0.0000 O   0  0  0
  1  2  1
  4  3  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  4  9  1
  8  9  1
  2  3  1
  2 10  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
 10 11  1
 10 24  2
 10 25  2
M  END
> <idnumber>
Z1682181425

> <smiles>
CN(CC1CCCCO1)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
276

> <ord>
255

> <cl>
146

$$$$
C18H22N2O5S
  MOLSOFT 06241911502D

 26 28  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 C   0  0  3
    0.3903   -2.4641    0.0000 N   0  0  0
    1.2132   -3.5967    0.0000 C   0  0  0
    0.3903   -4.7294    0.0000 C   0  0  0
   -0.9412   -4.2967    0.0000 C   0  0  0
   -0.9412   -2.8967    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 S   0  0  0
    4.4196    2.3458    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.4059    4.5610    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    6.8312    2.5993    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    7.8175    4.8145    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    8.8038    7.0297    0.0000 C   0  0  0
    8.6574    8.4221    0.0000 C   0  0  0
    7.3785    8.9915    0.0000 O   0  0  0
    9.7901    9.2450    0.0000 O   0  0  0
    9.0965    4.2451    0.0000 O   0  0  0
    2.4641    2.6555    0.0000 O   0  0  0
    4.1099    0.3903    0.0000 O   0  0  0
  1  2  1
  2  3  1
  5  1  1
  5  4  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
 10  6  1
  9 10  1
  3  4  1
  3 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1682250989

> <smiles>
C1CN(CC1N1CC=CC1)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
279

> <ord>
256

> <cl>
147

$$$$
C22H26N2O5S
  MOLSOFT 06241911502D

 30 32  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  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 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 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   -1.2124    0.0000 S   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 C   0  0  0
   -4.9000   -8.4870    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -2.8000   -9.6995    0.0000 O   0  0  0
   -4.9000  -10.9119    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -3.3124   -0.5124    0.0000 O   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  3  8  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
  3  2  1
  2 15  1
 16 17  1
 17 18  2
 18 19  1
 21 16  2
 20 21  1
 19 20  2
 19 22  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 15 16  1
 15 29  2
 15 30  2
M  END
> <idnumber>
Z1682297589

> <smiles>
CN(C1CCCN(C1)c1ccccc1)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
280

> <ord>
257

> <cl>
148

$$$$
C18H22N4O5S
  MOLSOFT 06241911502D

 28 30  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 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 N   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
   -0.9076   -6.4585    0.0000 S   0  0  0
   -1.3402   -7.7900    0.0000 C   0  0  0
   -0.4034   -8.8304    0.0000 C   0  0  0
   -0.8361  -10.1619    0.0000 C   0  0  0
   -2.2055  -10.4530    0.0000 C   0  0  0
   -3.1423   -9.4126    0.0000 C   0  0  0
   -2.7096   -8.0811    0.0000 C   0  0  0
   -2.6381  -11.7845    0.0000 C   0  0  0
   -1.7013  -12.8249    0.0000 C   0  0  0
   -2.1339  -14.1563    0.0000 C   0  0  0
   -1.1972  -15.1967    0.0000 C   0  0  0
    0.1723  -14.9057    0.0000 O   0  0  0
   -1.6298  -16.5282    0.0000 O   0  0  0
   -4.0075  -12.0755    0.0000 O   0  0  0
    0.4239   -6.8912    0.0000 O   0  0  0
   -2.2391   -6.0259    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  2  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
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 13 14  1
 13 27  2
 13 28  2
M  END
> <idnumber>
Z1359463491

> <smiles>
Cn1cnnc1C1CCN(CC1)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
71

> <ord>
258

> <cl>
149

$$$$
C17H19NO5S2
  MOLSOFT 06241911502D

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -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
    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
   -3.5000   -1.2124    0.0000 S   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -7.0000   -2.4249    0.0000 C   0  0  0
   -7.7000   -1.2124    0.0000 C   0  0  0
   -7.0000   -0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -9.1000   -1.2124    0.0000 C   0  0  0
   -9.8000   -2.4249    0.0000 C   0  0  0
  -11.2000   -2.4249    0.0000 C   0  0  0
  -11.9000   -3.6373    0.0000 C   0  0  0
  -11.2000   -4.8497    0.0000 O   0  0  0
  -13.3000   -3.6373    0.0000 O   0  0  0
   -9.8000    0.0000    0.0000 O   0  0  0
   -3.5000   -2.6124    0.0000 O   0  0  0
   -3.5000    0.1876    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  5  1
  8  9  1
  3  4  1
  3 10  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
 10 11  1
 10 24  2
 10 25  2
M  END
> <idnumber>
Z1682153937

> <smiles>
CCN(Cc1cccs1)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
274

> <ord>
259

> <cl>
150

$$$$
C18H24N2O5S
  MOLSOFT 06241911502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    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
    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 C   0  0  3
    2.1000   -1.2124    0.0000 C   0  0  3
    0.7000   -1.2124    0.0000 C   0  0  0
    2.7457   -3.6222    0.0000 N   0  0  0
    3.7861   -4.5590    0.0000 S   0  0  0
    4.8265   -5.4958    0.0000 C   0  0  0
    6.1580   -5.0632    0.0000 C   0  0  0
    7.1984   -6.0000    0.0000 C   0  0  0
    6.9073   -7.3694    0.0000 C   0  0  0
    5.5758   -7.8020    0.0000 C   0  0  0
    4.5354   -6.8652    0.0000 C   0  0  0
    7.9477   -8.3062    0.0000 C   0  0  0
    9.2792   -7.8735    0.0000 C   0  0  0
   10.3196   -8.8103    0.0000 C   0  0  0
   11.6511   -8.3777    0.0000 C   0  0  0
   11.9422   -7.0083    0.0000 O   0  0  0
   12.6915   -9.3145    0.0000 O   0  0  0
    7.6566   -9.6756    0.0000 O   0  0  0
    2.8493   -5.5994    0.0000 O   0  0  0
    4.7229   -3.5186    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  7  6  1
  8  4  1
  9  1  1
  8  9  1
  7  8  1
  7 10  1
 10 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
M  END
> <idnumber>
Z1682171581

> <smiles>
C1CCN2CCC(C2C1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
275

> <ord>
260

> <cl>
151

$$$$
C20H17NO8S
  MOLSOFT 06241911502D

 30 32  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 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
    5.7917    1.4000    0.0000 N   0  0  0
    5.7917    2.8000    0.0000 S   0  0  0
    5.7917    4.2000    0.0000 C   0  0  0
    4.5792    4.9000    0.0000 C   0  0  0
    4.5792    6.3000    0.0000 C   0  0  0
    5.7917    7.0000    0.0000 C   0  0  0
    7.0041    6.3000    0.0000 C   0  0  0
    7.0041    4.9000    0.0000 C   0  0  0
    5.7917    8.4000    0.0000 C   0  0  0
    4.5792    9.1000    0.0000 C   0  0  0
    4.5792   10.5000    0.0000 C   0  0  0
    3.3668   11.2000    0.0000 C   0  0  0
    2.1544   10.5000    0.0000 O   0  0  0
    3.3668   12.6000    0.0000 O   0  0  0
    7.0041    9.1000    0.0000 O   0  0  0
    7.1917    2.8000    0.0000 O   0  0  0
    4.3917    2.8000    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  6  7  1
  7  8  2
  9 10  2
 11  6  2
 10 11  1
 12  4  1
 11 12  1
  8  9  1
  8 13  1
 13 14  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
  3  4  1
  3 30  2
M  END
> <idnumber>
Z1359452976

> <smiles>
COC(c1cc2cc(ccc2o1)NS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
47

> <ord>
261

> <cl>
152

$$$$
C20H17NO7S2
  MOLSOFT 06241911502D

 30 32  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 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 S   0  0  0
    0.3903    2.4641    0.0000 S   0  0  0
   -0.0423    3.7956    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.3485    3.0463    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -1.8444    5.4181    0.0000 C   0  0  0
   -3.6464    7.0407    0.0000 C   0  0  0
   -5.0158    7.3318    0.0000 C   0  0  0
   -5.4484    8.6632    0.0000 C   0  0  0
   -6.8178    8.9543    0.0000 C   0  0  0
   -7.7546    7.9139    0.0000 O   0  0  0
   -7.2505   10.2858    0.0000 O   0  0  0
   -2.7096    8.0811    0.0000 O   0  0  0
   -0.9412    2.0315    0.0000 O   0  0  0
    1.7218    2.8967    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 12  4  1
 11 12  1
  5  6  1
  5 13  1
 14 15  1
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 20 15  2
 19 20  1
 19 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 13 14  1
 13 28  2
 13 29  2
  3  4  1
  3 30  2
M  END
> <idnumber>
Z1413958760

> <smiles>
COC(c1c(c2ccccc2s1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
233

> <ord>
262

> <cl>
153

$$$$
C19H16FNO5S2
  MOLSOFT 06241911502D

 28 30  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
    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 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 S   0  0  0
   -0.0423   -3.7956    0.0000 N   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
    2.2638   -4.5449    0.0000 C   0  0  0
    3.2006   -5.5853    0.0000 C   0  0  0
    2.7680   -6.9168    0.0000 C   0  0  0
    1.3986   -7.2079    0.0000 C   0  0  0
    0.4618   -6.1675    0.0000 C   0  0  0
    0.9660   -8.5393    0.0000 C   0  0  0
    1.9028   -9.5797    0.0000 C   0  0  0
    1.4701  -10.9112    0.0000 C   0  0  0
    2.4069  -11.9516    0.0000 C   0  0  0
    3.7763  -11.6606    0.0000 O   0  0  0
    1.9743  -13.2831    0.0000 O   0  0  0
   -0.4034   -8.8304    0.0000 O   0  0  0
    1.7218   -2.8967    0.0000 O   0  0  0
   -0.9412   -2.0315    0.0000 O   0  0  0
   -0.7997    2.9347    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  8  9  1
 10  2  2
  9 10  1
 10 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
  4  5  2
  4 28  1
M  END
> <idnumber>
Z1413958362

> <smiles>
Cc1c2c(cccc2sc1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O)F

> <CO>
200

> <ord>
263

> <cl>
154

$$$$
C20H18N2O5S2
  MOLSOFT 06241911502D

 29 31  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    8.5229    2.3451    0.0000 C   0  0  0
    9.8544    1.9124    0.0000 S   0  0  0
    9.8544    0.5124    0.0000 C   0  0  0
    8.5229    0.0798    0.0000 N   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
    5.6000   -2.4249    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 12 13  1
 13 14  2
 14 15  1
 15 16  1
 17 13  1
 16 17  2
 11 12  1
 11 18  1
 18 19  1
 19 20  2
 20 21  1
 21 22  2
 23 18  2
 22 23  1
 10 11  1
 10 24  2
 10 25  2
  3  4  1
  3 26  2
  1  2  1
  1 27  1
 27 28  1
 27 29  2
M  END
> <idnumber>
Z1359464017

> <smiles>
C(CC(c1ccc(cc1)S(N(Cc1cscn1)c1ccccc1)(=O)=O)=O)C(O)=O

> <CO>
75

> <ord>
264

> <cl>
155

$$$$
C15H16N2O5S2
  MOLSOFT 06241911502D

 24 25  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
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 S   0  0  0
   -0.0423    3.7956    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.3485    3.0463    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -4.1506    4.6688    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -1.8444    5.4181    0.0000 C   0  0  0
   -3.6464    7.0407    0.0000 C   0  0  0
   -5.0158    7.3318    0.0000 C   0  0  0
   -5.4484    8.6632    0.0000 C   0  0  0
   -6.8178    8.9543    0.0000 C   0  0  0
   -7.7546    7.9139    0.0000 O   0  0  0
   -7.2505   10.2858    0.0000 O   0  0  0
   -2.7096    8.0811    0.0000 O   0  0  0
   -0.9412    2.0315    0.0000 O   0  0  0
    1.7218    2.8967    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  1
  5  6  1
  7  2  1
  5  7  2
  3  4  1
  3  8  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
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
M  END
> <idnumber>
Z1413958355

> <smiles>
Cc1c(sc(C)n1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
198

> <ord>
265

> <cl>
156

$$$$
C17H20N2O5S2
  MOLSOFT 06241911502D

 26 27  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
    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
    6.9776   -1.2069    0.0000 N   0  0  0
    8.1102   -2.0298    0.0000 S   0  0  0
    9.2428   -2.8527    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   11.6544   -3.1062    0.0000 C   0  0  0
   11.5080   -4.4985    0.0000 C   0  0  0
   10.2291   -5.0680    0.0000 C   0  0  0
    9.0965   -4.2451    0.0000 C   0  0  0
   12.6407   -5.3214    0.0000 C   0  0  0
   13.9196   -4.7520    0.0000 C   0  0  0
   15.0523   -5.5749    0.0000 C   0  0  0
   16.3312   -5.0055    0.0000 C   0  0  0
   16.4776   -3.6131    0.0000 O   0  0  0
   17.4638   -5.8284    0.0000 O   0  0  0
   12.4943   -6.7138    0.0000 O   0  0  0
    8.9331   -0.8972    0.0000 O   0  0  0
    7.2873   -3.1625    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 11 12  1
 12 13  2
 13 14  1
 16 11  2
 15 16  1
 14 15  2
 14 17  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
 10 11  1
 10 24  2
 10 25  2
  5  6  1
 26  2  1
  5 26  2
M  END
> <idnumber>
Z1682206822

> <smiles>
Cc1csc(CCCNS(c2ccc(cc2)C(CCC(O)=O)=O)(=O)=O)n1

> <CO>
278

> <ord>
266

> <cl>
157

$$$$
C20H19NO5S
  MOLSOFT 06241911502D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  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 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 N   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   -6.0622    0.0000 C   0  0  0
    1.4000   -7.2746    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
   -0.7000   -6.0622    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
   -0.7000  -10.9119    0.0000 C   0  0  0
   -0.0000  -12.1244    0.0000 C   0  0  0
    1.4000  -12.1244    0.0000 O   0  0  0
   -0.7000  -13.3368    0.0000 O   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
    1.2124   -3.1249    0.0000 O   0  0  0
   -1.2124   -1.7249    0.0000 O   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
 10  1  1
  9 10  2
 10 11  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
 11 12  1
 11 26  2
 11 27  2
M  END
> <idnumber>
Z1413958768

> <smiles>
C1Cc2ccccc2C=C1S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
234

> <ord>
267

> <cl>
158

$$$$
C14H14ClN3O5S
  MOLSOFT 06241911502D

 24 25  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 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 Cl  0  0  0
    3.2870   -1.5229    0.0000 S   0  0  0
    4.4196   -2.3458    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.8449   -0.3840    0.0000 C   0  0  0
    7.1239    0.1854    0.0000 C   0  0  0
    8.2565   -0.6375    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    6.8312   -2.5993    0.0000 C   0  0  0
    9.2428   -2.8527    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   11.6544   -3.1062    0.0000 C   0  0  0
   12.9334   -2.5368    0.0000 C   0  0  0
   13.0797   -1.1444    0.0000 O   0  0  0
   14.0660   -3.3597    0.0000 O   0  0  0
    9.0965   -4.2451    0.0000 O   0  0  0
    4.1099   -0.3903    0.0000 O   0  0  0
    2.4641   -2.6555    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  2  1
  6  7  1
  5  6  2
  5  8  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
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
M  END
> <idnumber>
Z1373577187

> <smiles>
Cn1cnc(c1[Cl])S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
107

> <ord>
268

> <cl>
159

$$$$
C15H17N3O5S
  MOLSOFT 06241911502D

 24 25  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 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 S   0  0  0
    4.4196    2.3458    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.9943    4.3076    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    3.9806    6.5228    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.4059    4.5610    0.0000 C   0  0  0
    6.3922    6.7763    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.3785    8.9915    0.0000 C   0  0  0
    7.2321   10.3838    0.0000 C   0  0  0
    5.9532   10.9532    0.0000 O   0  0  0
    8.3648   11.2067    0.0000 O   0  0  0
    7.6712    6.2068    0.0000 O   0  0  0
    2.4641    2.6555    0.0000 O   0  0  0
    4.1099    0.3903    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  6  2  1
  5  6  1
  6  7  1
  4  5  2
  4  8  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
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  8  9  1
  8 23  2
  8 24  2
M  END
> <idnumber>
Z1413958779

> <smiles>
Cc1nc(cn1C)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
236

> <ord>
269

> <cl>
160

$$$$
C16H19N3O5S
  MOLSOFT 06241911502D

 25 26  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 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 S   0  0  0
    4.4196    2.3458    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.9943    4.3076    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    3.9806    6.5228    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    5.4059    4.5610    0.0000 C   0  0  0
    6.3922    6.7763    0.0000 C   0  0  0
    6.2459    8.1686    0.0000 C   0  0  0
    7.3785    8.9915    0.0000 C   0  0  0
    7.2321   10.3838    0.0000 C   0  0  0
    5.9532   10.9532    0.0000 O   0  0  0
    8.3648   11.2067    0.0000 O   0  0  0
    7.6712    6.2068    0.0000 O   0  0  0
    2.4641    2.6555    0.0000 O   0  0  0
    4.1099    0.3903    0.0000 O   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  5  6  1
  8  4  1
  7  8  1
  6  7  2
  6  9  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
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  9 10  1
  9 24  2
  9 25  2
M  END
> <idnumber>
Z1413958675

> <smiles>
CC(C)c1nc(c[nH]1)S(Nc1cccc(c1)C(CCC(O)=O)=O)(=O)=O

> <CO>
222

> <ord>
270

> <cl>
161

$$$$
C15H12ClN3O5S2
  MOLSOFT 06241911502D

 26 28  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   -0.0000    0.0000 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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.4229   -1.2922    0.0000 C   0  0  0
    7.7544   -1.7249    0.0000 N   0  0  0
    7.7544   -3.1249    0.0000 C   0  0  0
    6.4229   -3.5575    0.0000 N   0  0  0
    6.4229   -4.9575    0.0000 C   0  0  0
    7.7544   -5.3901    0.0000 C   0  0  0
    8.5773   -4.2575    0.0000 S   0  0  0
    5.9903    0.0392    0.0000 Cl  0  0  0
    4.2000   -3.8249    0.0000 O   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  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 13  2
 14 15  2
 16 12  1
 15 16  1
 16 17  1
 17 18  2
 19 15  1
 18 19  1
 13 14  1
 13 20  1
 11 12  1
 11 21  2
 11 22  2
  3  4  1
  3 23  2
  1  2  1
  1 24  1
 24 25  1
 24 26  2
M  END
> <idnumber>
Z1413958181

> <smiles>
C(CC(c1cccc(c1)NS(c1c(nc2n1ccs2)[Cl])(=O)=O)=O)C(O)=O

> <CO>
178

> <ord>
271

> <cl>
162

$$$$
C21H20N4O5S
  MOLSOFT 06241911502D

 31 34  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
    3.4859    1.1326    0.0000 N   0  0  0
    4.3088   -0.0000    0.0000 N   0  0  0
    3.4859   -1.1326    0.0000 C   0  0  0
    3.9185   -2.4641    0.0000 C   0  0  0
    5.2879   -2.7552    0.0000 C   0  0  0
    5.7205   -4.0867    0.0000 C   0  0  0
    4.7837   -5.1271    0.0000 C   0  0  0
    3.4143   -4.8360    0.0000 C   0  0  0
    2.9817   -3.5045    0.0000 C   0  0  0
    2.4775   -5.8764    0.0000 N   0  0  0
    2.9102   -7.2079    0.0000 S   0  0  0
    3.3428   -8.5393    0.0000 C   0  0  0
    4.7122   -8.8304    0.0000 C   0  0  0
    5.1448  -10.1619    0.0000 C   0  0  0
    4.2080  -11.2023    0.0000 C   0  0  0
    2.8386  -10.9112    0.0000 C   0  0  0
    2.4060   -9.5797    0.0000 C   0  0  0
    4.6407  -12.5338    0.0000 C   0  0  0
    6.0101  -12.8249    0.0000 C   0  0  0
    6.4427  -14.1563    0.0000 C   0  0  0
    7.8121  -14.4474    0.0000 C   0  0  0
    8.7489  -13.4070    0.0000 O   0  0  0
    8.2447  -15.7789    0.0000 O   0  0  0
    3.7039  -13.5742    0.0000 O   0  0  0
    4.2416   -6.7752    0.0000 O   0  0  0
    1.5787   -7.6405    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
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  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 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
  6  7  1
 30  3  1
  6 30  1
 31  1  1
 30 31  1
M  END
> <idnumber>
Z1359449093

> <smiles>
C1Cc2nnc(c3cccc(c3)NS(c3ccc(cc3)C(CCC(O)=O)=O)(=O)=O)n2C1

> <CO>
38

> <ord>
272

> <cl>
163

$$$$
C12H14N2O7S
  MOLSOFT 06241911502D

 22 22  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 O   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -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 O   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
   -1.4000   -1.4000    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -5.6000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 14 15  1
 15 16  1
 16 17  1
 16 18  2
 13 14  1
 13 19  2
  6  7  1
  6 20  2
  6 21  2
  3  4  1
  3 22  2
M  END
> <idnumber>
Z1336451328

> <smiles>
COC(NNS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
7

> <ord>
273

> <cl>
164

$$$$
C13H16N2O7S
  MOLSOFT 06241911502D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -7.7000   -3.6373    0.0000 C   0  0  0
   -7.0000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -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 O   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
   -1.4000   -1.4000    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -5.6000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  6  7  1
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 11 12  2
 11 14  1
 15 16  1
 16 17  1
 17 18  1
 17 19  2
 14 15  1
 14 20  2
  7  8  1
  7 21  2
  7 22  2
  4  5  1
  4 23  2
M  END
> <idnumber>
Z1336451349

> <smiles>
CCOC(NNS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
8

> <ord>
274

> <cl>
164

$$$$
C16H20N2O6S
  MOLSOFT 06241911502D

 25 26  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
    4.5660   -0.9535    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 N   0  0  0
    6.9776   -1.2069    0.0000 S   0  0  0
    8.2565   -0.6375    0.0000 C   0  0  0
    8.4029    0.7548    0.0000 C   0  0  0
    9.6818    1.3243    0.0000 C   0  0  0
   10.8144    0.5014    0.0000 C   0  0  0
   10.6681   -0.8910    0.0000 C   0  0  0
    9.3891   -1.4604    0.0000 C   0  0  0
   12.0934    1.0708    0.0000 C   0  0  0
   12.2397    2.4631    0.0000 C   0  0  0
   13.5187    3.0326    0.0000 C   0  0  0
   13.6651    4.4249    0.0000 C   0  0  0
   12.5324    5.2478    0.0000 O   0  0  0
   14.9440    4.9943    0.0000 O   0  0  0
   13.2260    0.2479    0.0000 O   0  0  0
    7.5470   -2.4859    0.0000 O   0  0  0
    6.4081    0.0720    0.0000 O   0  0  0
    3.1407   -2.9152    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  8  1
  8  9  1
 10 11  1
 11 12  2
 12 13  1
 15 10  2
 14 15  1
 13 14  2
 13 16  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  9 10  1
  9 23  2
  9 24  2
  6  7  1
  6 25  2
M  END
> <idnumber>
Z1359451329

> <smiles>
C1CCC(C1)C(NNS(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
44

> <ord>
275

> <cl>
165

$$$$
C17H14Cl2N2O6S
  MOLSOFT 06241911502D

 28 29  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 N   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
    8.4000    4.8497    0.0000 C   0  0  0
    9.8000    4.8497    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 Cl  0  0  0
    6.3000    3.6373    0.0000 Cl  0  0  0
    8.4000    0.0000    0.0000 O   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  1
 14 15  2
 16 17  2
 17 18  1
 19 14  1
 18 19  2
 19 20  1
 15 16  1
 15 21  1
 13 14  1
 13 22  2
 10 11  1
 10 23  2
 10 24  2
  3  4  1
  3 25  2
  1  2  1
  1 26  1
 26 27  1
 26 28  2
M  END
> <idnumber>
Z1359461946

> <smiles>
C(CC(c1ccc(cc1)S(NNC(c1c(cccc1[Cl])[Cl])=O)(=O)=O)=O)C(O)=O

> <CO>
66

> <ord>
276

> <cl>
166

$$$$
C19H17F2NO5S
  MOLSOFT 06241911502D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  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
    2.8000   -2.4249    0.0000 S   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
    2.8000   -4.8497    0.0000 C   0  0  0
    5.6000   -7.2746    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    7.7000   -8.4870    0.0000 C   0  0  0
    9.1000   -8.4870    0.0000 C   0  0  0
    9.8000   -7.2746    0.0000 O   0  0  0
    9.8000   -9.6995    0.0000 O   0  0  0
    4.9000   -8.4870    0.0000 O   0  0  0
    4.0124   -1.7249    0.0000 O   0  0  0
    1.5876   -3.1249    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 F   0  0  0
    4.9000    3.6373    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  8  3  1
  7  8  2
  8  9  1
 10  1  1
  9 10  1
  9 11  1
 12 13  1
 13 14  2
 14 15  1
 17 12  2
 16 17  1
 15 16  2
 15 18  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
 11 12  1
 11 25  2
 11 26  2
  6  7  1
  6 27  1
  5  6  2
  5 28  1
M  END
> <idnumber>
Z1359450564

> <smiles>
C1Cc2cc(c(cc2N(C1)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)F)F

> <CO>
42

> <ord>
277

> <cl>
167

$$$$
C20H19NO7S
  MOLSOFT 06241911502D

 29 31  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  3
    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
    3.1948   -1.6368    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 S   0  0  0
    4.4196    2.3458    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.4059    4.5610    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    6.8312    2.5993    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    7.8175    4.8145    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    8.8038    7.0297    0.0000 C   0  0  0
    8.6574    8.4221    0.0000 C   0  0  0
    7.3785    8.9915    0.0000 O   0  0  0
    9.7901    9.2450    0.0000 O   0  0  0
    9.0965    4.2451    0.0000 O   0  0  0
    2.4641    2.6555    0.0000 O   0  0  0
    4.1099    0.3903    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
  4 12  1
 12  7  1
 11 12  2
  6  7  1
  6 13  1
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
 13 14  1
 13 27  2
 13 28  2
  4  3  1
  3 29  2
M  END
> <idnumber>
Z1359464474

> <smiles>
COC(C1CN(c2ccccc12)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
78

> <ord>
278

> <cl>
168

$$$$
C21H22N2O6S
  MOLSOFT 06241911502D

 30 32  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
    0.6074    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  0  0
    1.9723   -1.5729    0.0000 C   0  0  0
    2.3850   -2.9107    0.0000 C   0  0  0
    1.4328   -3.9370    0.0000 C   0  0  0
    0.0679   -3.6254    0.0000 C   0  0  0
   -0.3448   -2.2876    0.0000 C   0  0  0
    0.6074   -1.2614    0.0000 C   0  0  0
    4.3283   -1.3074    0.0000 S   0  0  0
    5.5896   -1.9149    0.0000 C   0  0  0
    6.7463   -1.1262    0.0000 C   0  0  0
    8.0077   -1.7337    0.0000 C   0  0  0
    8.1123   -3.1297    0.0000 C   0  0  0
    6.9556   -3.9184    0.0000 C   0  0  0
    5.6942   -3.3110    0.0000 C   0  0  0
    9.3737   -3.7372    0.0000 C   0  0  0
   10.5304   -2.9485    0.0000 C   0  0  0
   11.7918   -3.5560    0.0000 C   0  0  0
   12.9485   -2.7673    0.0000 C   0  0  0
   12.8439   -1.3712    0.0000 O   0  0  0
   14.2099   -3.3748    0.0000 O   0  0  0
    9.4783   -5.1333    0.0000 O   0  0  0
    4.9357   -0.0461    0.0000 O   0  0  0
    3.7208   -2.5688    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  3  1
 13  8  1
 12 13  2
  7  8  1
  7 14  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
  2  3  1
  2 30  2
M  END
> <idnumber>
Z1359466908

> <smiles>
CC(N1CCCN(c2ccccc12)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O)=O

> <CO>
84

> <ord>
279

> <cl>
169

$$$$
C23H19NO5S
  MOLSOFT 06241911502D

 30 33  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   -0.0000    0.0000 C   0  0  0
    2.1000   -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
    5.6000    0.0000    0.0000 N   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
    9.8000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
    9.8000   -0.0000    0.0000 C   0  0  0
    8.4000    0.0000    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
    5.6000   -2.4249    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.2000    1.4000    0.0000 O   0  0  0
    4.2000   -1.4000    0.0000 O   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  9  4  2
  8  9  1
  7  8  2
  7 10  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 18 13  1
 17 18  2
 18 19  1
 19 20  2
 20 21  1
 21 22  2
 22 23  1
 24 11  1
 24 19  1
 23 24  2
 10 11  1
 10 25  2
 10 26  2
  3  4  1
  3 27  2
  1  2  1
  1 28  1
 28 29  1
 28 30  2
M  END
> <idnumber>
Z1359453890

> <smiles>
C(CC(c1ccc(cc1)S(N1Cc2ccccc2c2ccccc12)(=O)=O)=O)C(O)=O

> <CO>
52

> <ord>
280

> <cl>
170

$$$$
C22H23NO5S
  MOLSOFT 06241911502D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.0000    0.0000 C   0  0  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
    2.6799    1.2124    0.0000 C   0  0  0
    4.0799    1.2124    0.0000 N   0  0  0
    4.7799    0.0000    0.0000 C   0  0  0
    4.0799   -1.2124    0.0000 C   0  0  0
    4.7799   -2.4249    0.0000 C   0  0  0
    4.0799   -3.6373    0.0000 C   0  0  0
    2.6799   -3.6373    0.0000 C   0  0  0
    1.9799   -2.4249    0.0000 C   0  0  0
    2.6799   -1.2124    0.0000 C   0  0  0
    4.7799    2.4249    0.0000 S   0  0  0
    5.4799    3.6373    0.0000 C   0  0  0
    4.7799    4.8497    0.0000 C   0  0  0
    5.4799    6.0622    0.0000 C   0  0  0
    6.8799    6.0622    0.0000 C   0  0  0
    7.5799    4.8497    0.0000 C   0  0  0
    6.8799    3.6373    0.0000 C   0  0  0
    7.5799    7.2746    0.0000 C   0  0  0
    6.8799    8.4870    0.0000 C   0  0  0
    7.5799    9.6995    0.0000 C   0  0  0
    6.8799   10.9119    0.0000 C   0  0  0
    5.4799   10.9119    0.0000 O   0  0  0
    7.5799   12.1244    0.0000 O   0  0  0
    8.9799    7.2746    0.0000 O   0  0  0
    3.5675    3.1249    0.0000 O   0  0  0
    5.9923    1.7249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  1  1
  3  4  1
  3  5  1
  5  6  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 13  3  1
 12 13  2
  6  7  1
  6 14  1
 15 16  1
 16 17  2
 17 18  1
 20 15  2
 19 20  1
 18 19  2
 18 21  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 14 15  1
 14 28  2
 14 29  2
M  END
> <idnumber>
Z2066296963

> <smiles>
C1CC2(C1)CN(Cc1ccccc12)S(c1ccc(cc1)C(CCC(O)=O)=O)(=O)=O

> <CO>
281

> <ord>
281

> <cl>
171

$$$$
C19H20O5
  MOLSOFT 06241911502D

 24 25  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  3
   -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
    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
    0.7000   -3.6373    0.0000 O   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 O   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  1  1
  3  4  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
 13 14  1
 14 15  2
 16 11  2
 16 17  1
 17 18  1
 15 16  1
 15 19  1
 19 20  1
  4  5  1
  4 21  2
  2  3  1
  2 22  1
 22 23  1
 22 24  2
M  END
> <idnumber>
Z2581549152

> <smiles>
CC(CC(c1cccc(c1)c1cccc(c1OC)OC)=O)C(O)=O

> <CO>
283

> <ord>
282

> <cl>
172

$$$$
C20H20O4
  MOLSOFT 06241911502D

 24 26  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  3
   -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
    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   -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 O   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
   -2.1000    1.2124    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
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  1  1
  3  4  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
 13 14  1
 14 15  2
 16 17  1
 17 18  1
 19 14  1
 18 19  1
 15 16  1
 20 11  2
 15 20  1
  4  5  1
  4 21  2
  2  3  1
  2 22  1
 22 23  1
 22 24  2
M  END
> <idnumber>
Z2581564325

> <smiles>
CC(CC(c1cccc(c1)c1ccc2c(CCCO2)c1)=O)C(O)=O

> <CO>
285

> <ord>
283

> <cl>
173

$$$$
C19H24N2O4
  MOLSOFT 06241911502D

 25 26  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
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    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
    6.9776    1.2069    0.0000 C   0  0  0
    8.1102    2.0298    0.0000 C   0  0  0
    9.3891    1.4604    0.0000 C   0  0  0
   10.5218    2.2833    0.0000 C   0  0  0
   10.3754    3.6756    0.0000 O   0  0  0
   11.8007    1.7139    0.0000 O   0  0  0
    7.1239   -0.1854    0.0000 O   0  0  0
    6.6849    3.9916    0.0000 O   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    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  1
  5  6  1
  5  7  2
  8  9  1
  9 10  2
 10 11  1
 13  8  2
 12 13  1
 12 14  1
 15 16  1
 16 17  1
 17 18  1
 17 19  2
 14 15  1
 14 20  2
 11 12  2
 11 21  1
 21 22  1
  7  8  1
  7 23  1
 23 24  1
 25  4  1
 23 25  2
M  END
> <idnumber>
Z2581558272

> <smiles>
CCCn1c(C)c(c2ccc(c(c2)C(CCC(O)=O)=O)OC)c(C)n1

> <CO>
284

> <ord>
284

> <cl>
174

$$$$
C18H17N3O5S2
  MOLSOFT 06241911502D

 28 30  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
    0.3903    2.4641    0.0000 N   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 S   0  0  0
   -1.8444    5.4181    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -3.6464    7.0407    0.0000 C   0  0  0
   -2.7096    8.0811    0.0000 C   0  0  0
   -1.3402    7.7900    0.0000 C   0  0  0
   -0.9076    6.4585    0.0000 C   0  0  0
   -3.1422    9.4126    0.0000 C   0  0  0
   -4.5117    9.7037    0.0000 C   0  0  0
   -4.9443   11.0351    0.0000 C   0  0  0
   -6.3137   11.3262    0.0000 C   0  0  0
   -7.2505   10.2858    0.0000 O   0  0  0
   -6.7463   12.6577    0.0000 O   0  0  0
   -2.2055   10.4530    0.0000 O   0  0  0
   -2.7432    3.6540    0.0000 O   0  0  0
   -0.0803    4.5193    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  1
  7  8  1
  8  9  2
  9 10  1
 12  7  2
 11 12  1
 10 11  2
 10 13  1
 14 15  1
 15 16  1
 16 17  1
 16 18  2
 13 14  1
 13 19  2
  6  7  1
  6 20  2
  6 21  2
  3  4  2  3
  3 22  1
 22 23  1
 23 24  2
 24 25  1
 25 26  2
 26 27  1
 28  2  1
 28 23  1
 27 28  2
M  END
> <idnumber>
Z1359449498

> <smiles>
CN1C(=NNS(c2ccc(cc2)C(CCC(O)=O)=O)(=O)=O)Sc2ccccc12

> <CO>
39

> <ord>
285

> <cl>
175

$$$$
