0  B13R2.12159  O=C1C2=C(C=CC=C2)S([N-]1)(=O)=O T19979 [0,0,0,0,0,0|0,0,1]=1
1  B13R2.12159  O=C1NS(=O)(=O)c2ccccc12 T0889 [0,0,0,0,0,0|0,0,0]=0
2  B13R2.12159  O=C1NS(=O)(=O)c2ccccc12 T6974 [0,0,0,0,0,0|0,0,0]=0
3  B13R2.12159  O=C1SS(=O)(=O)c2ccccc12 T14522 [0,0,0,0,0,0|1,0,0]=1
4  B13R2.12159  O=C1[N-]S(=O)(=O)c2ccccc12 T19977 [0,0,0,0,0,0|0,0,1]=1
5  B12R2.2028  S=C1NC(=S)c2ccccc12 T25525 [1,0,0,0,0,0|1,2,0]=4
6  B12R1.107  CC(=O)CC(=O)c1ccccc1 T20345 [0,0,1,0,0,0|3,0,0]=4
7  B12R1.261  CC(=O)c1ccccc1C(O)=O TMA0536 [0,0,1,0,0,0|2,0,1]=4
8  B12R1.261  OC(=O)c1ccccc1C(O)=O T5603 [0,0,1,0,0,0|2,0,1]=4
9  B11R1.7  ClNS(=O)(=O)c1ccccc1 T30889 [1,0,1,0,0,0|1,0,0]=3
10  B11R1.53  OC(=O)c1ccccc1C=O TN6514 [1,0,1,0,0,0|1,0,1]=4
11  B11R1.53  [O-][N+](=O)c1ccccc1C=O T29358 [1,0,1,0,0,0|1,0,1]=4
12  B11R1.87  Cc1ccccc1S(N)(=O)=O T0571 [1,0,1,0,0,0|0,0,1]=3
13  B11R1.87  Nc1ccccc1S(N)(=O)=O T2187 [1,0,1,0,0,0|1,0,0]=3
14  B11R1.87  Nc1ccccc1S(O)(=O)=O T4835 [1,0,1,0,0,0|2,0,0]=4
15  B11R2.1  O=C1CCc2ccccc12 T0564 [2,0,0,0,0,0|2,0,0]=4
16  B13R1.349  [O-][N+](=O)c1ccccc1S([O-])(=O)=O T30368 [0,1,1,0,0,0|2,0,0]=4
17  B13R2.3085  O=C1N(C)C(C2=C1C=CC=C2)=O T20314 [1,1,0,0,0,0|1,0,0]=3
18  B13R2.4857  O=C1OC(C2=C1C=CC=C2O)=O T9290 [1,1,0,0,0,0|2,0,0]=4
19  B15R2.13973  CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 T0126 [0,1,0,0,0,1|1,0,0]=3
20  B15R2.13973  CC1Nc2ccc(Cl)cc2S(=O)(=O)N1 T7823 [0,1,0,0,0,1|1,0,1]=4
21  B15R2.202  ClCN1C(=O)c2ccccc2S1(=O)=O T8602 [0,2,0,0,0,0|0,0,0]=2
22  B13R2.328  O=c1[nH]c(=O)c2ccccc2o1 T0258 [0,0,1,1,0,0|1,0,1]=4
23  B11R1.36  CC(=O)C(=O)c1ccccc1 T7450 [0,0,1,0,1,0|2,0,0]=4
24  B11R1.36  OC(=O)C(=O)c1ccccc1 T8025 [0,0,1,0,1,0|1,0,1]=4
25  B13R1.45  OC(=O)CNC(=O)c1ccccc1 T4815 [0,0,1,0,0,1|1,0,1]=4
26  B13R1.45  OC(=O)CNC(=O)c1ccccc1 T8365 [0,0,1,0,0,1|1,0,1]=4