0 B12R1.6 C1=CC(=CC=C1C#N)S(=O)(=O)Cl 9332 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.6 C1=CC(=CC=C1CBr)S(=O)(=O)Cl 10613 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C#N 9374 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O 5188 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CN 8395 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)NN 5190 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.3 C1=CC(=CC=C1CN)C(=O)O 6756 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.3 C1=CC(=CC=C1NN)[N+](=O)[O-] 5239 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.3 CN(C)C1=CC=C(C=C1)CN 9794 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)N 5136 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)N 6297 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.19 C1=CC(=CC=C1N)S(=O)(=O)O 6804 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.19 C1=CC(=CC=C1S(=O)(=O)Cl)Cl 10200 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.19 C1=CC(=CC=C1S(=O)(=O)O)Cl 6805 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C 9927 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 5499 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 8893 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)Br 6161 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N 8975 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O 5187 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.38 COc1ccc(cc1Br)S(=O)(=O)Cl B1258 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.140 C1=CC(=CC=C1CCN)S(=O)(=O)N 8520 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.338 CC(C)C1=CC=C(C=C1)S(=O)(=O)N 9375 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)O 6587 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.3 C1=CC(=CC=C1CN)C#N C0297 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.3 COC1=CC=C(C=C1)CN 8511 [2,0,0,0,0,0|1,1,0]=4 26 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.28 C1=CC(=CN=C1)S(=O)(=O)Cl 5085 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.28 C1=CC(=CN=C1)S(=O)(=O)Cl 8852 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.28 C1=CC=C(C=C1)S(=N)(=O)O 5501 [2,0,0,0,0,0|0,0,2]=4 32 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl P4868 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl P4869 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.28 c1cc(cnc1)S(=O)(=O)O P0398 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)NN 8672 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.23 C1=CC(=C(C=C1S(=O)(=O)Cl)Br)Br 10372 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.23 C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)Cl 9297 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.23 C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)F 6190 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.23 C1=CC(=C(C=C1S(=O)(=O)Cl)F)Br 6477 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.23 C1=CC(=C(C=C1S(=O)(=O)Cl)F)F 5393 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.23 C1=CC(=C(C=C1S(=O)(=O)N)Cl)F 10216 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.23 C1=CC(=C(C=C1S(=O)(=O)N)F)F 6244 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.23 CC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl 6475 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.23 CC1=C(C=C(C=C1)S(=O)(=O)Cl)F 8073 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.23 CC1=C(C=CC(=C1)S(=O)(=O)Cl)Br 6476 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.23 CS(=O)(=O)C1=CC(=C(C=C1)F)N 8022 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.23 CS(=O)(=O)C1=CC(=C(C=C1)N)F 9845 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.126 C1=CC(=C(C=C1Br)Br)S(=O)(=O)Cl 6474 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.126 C1=CC(=C(C=C1Br)Cl)S(=O)(=O)Cl 8252 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.126 C1=CC(=C(C=C1Br)Cl)S(=O)(=O)N 6635 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.126 C1=CC(=C(C=C1Br)F)S(=O)(=O)Cl 5108 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.126 C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)Cl 6158 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.126 C1=CC(=C(C=C1F)Cl)S(=O)(=O)Cl 9894 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.126 C1=CC(=C(C=C1F)F)S(=O)(=O)Cl 10354 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.126 CC1=C(C=CC(=C1)Br)S(=O)(=O)Cl 8787 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.126 CC1=C(C=CC(=C1)F)S(=O)(=O)Cl 5470 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.806 CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O 9324 [0,2,0,0,0,0|2,0,0]=4 58 B14R1.3332 C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)Cl 5628 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.3332 C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)N 6497 [0,2,0,0,0,0|1,0,0]=3 60 B14R1.3332 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)Cl 6162 [0,2,0,0,0,0|2,0,0]=4 61 B14R2.3125 c1cc2c(cc1S(=O)(=O)Cl)CCC2 I1296 [0,1,0,1,0,0|2,0,0]=4 62 B14R2.3125 c1cc2c(cc1S(=O)(=O)Cl)OCO2 B2888 [0,1,0,1,0,0|2,0,0]=4 63 B14R2.3125 c1cc2c(cc1S(=O)(=O)Cl)OCO2 B5491 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.55 C1=C(SC(=C1)Br)S(=O)(=O)N 5059 [1,0,0,0,1,0|2,0,0]=4 65 B10R1.55 C1=C(SC(=C1)Cl)S(=O)(=O)N 10044 [1,0,0,0,1,0|2,0,0]=4 66 B10R1.55 Cc1ccc(s1)S(=O)(=O)Cl M6992 [1,0,0,0,1,0|2,0,0]=4 67 B12R1.436 COC1=CC(=CC=C1)S(=O)(=O)N 8075 [0,0,0,0,1,1|2,0,0]=4