0 B13R2.12159 CC1=CS(=O)(=O)C2=C1C=CC=C2 Z607749842 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.12159 CC1=NS(=O)(=O)C2=C1C=CC=C2 Z1255354907 [0,0,0,0,0,0|1,0,0]=1 2 B13R2.12159 CS1(=NC(=O)C2=C1C=CC=C2)=O Z3072622612 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.12159 N=S1(=O)NC(=O)C2=C1C=CC=C2 Z3717675699 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.12159 NC1=CS(=O)(=O)C2=C1C=CC=C2 Z1188127400 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.12159 NC1=NS(=O)(=O)C2=C1C=CC=C2 Z57989305 [0,0,0,0,0,0|1,0,0]=1 6 B13R2.12159 NC1CS(=O)(=O)C2=C1C=CC=C2 Z1511513951 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=C2 Z256708526 [0,0,0,0,0,0|1,0,1]=2 8 B13R2.12159 O=S1(=O)C=C(C2=C1C=CC=C2)Br Z1269236402 [0,0,0,0,0,0|1,1,0]=2 9 B12R2.2028 NC1=NC(=O)C2=C1C=CC=C2 Z316121514 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 Z57131040 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 Z57127356 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.2403 N=S1(=O)CCC2=C1C=CC=C2 Z2514148544 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 Z425439028 [1,0,0,0,0,0|1,0,0]=2 14 B12R2.2403 O=S1(=O)NCC2=C1C=CC=C2 Z1198162686 [1,0,0,0,0,0|0,0,2]=3 15 B14R2.4643 CC1=CC2=C(C=C1)S(=O)(=O)NC2=O Z4198297431 [0,1,0,0,0,0|1,0,1]=3 16 B14R2.4643 NC1=CC2=C(C=C1)S(=O)(=O)NC2=O Z763361898 [0,1,0,0,0,0|1,0,1]=3 17 B14R2.4643 O=C1NS(=O)(=O)C2=C1C=C(C=C2)Br Z317102756 [0,1,0,0,0,0|1,0,1]=3 18 B14R2.4643 O=C1NS(=O)(=O)C2=C1C=C(C=C2)F Z1646638507 [0,1,0,0,0,0|1,0,1]=3 19 B14R2.4643 O=C1[N-]S(=O)(=O)C2=C1C=C(C=C2)Cl Z2008848916 [0,1,0,0,0,0|1,0,1]=3 20 B14R2.8052 O=C1NS(=O)(=O)C2=CC=CC(=C12)Cl Z1862012665 [0,1,0,0,0,0|1,0,1]=3 21 B14R2.8052 O=C1NS(=O)(=O)C2=CC=CC(=C12)F Z1960217419 [0,1,0,0,0,0|1,0,1]=3 22 B14R2.8055 CC1=C2C(=CC=C1)C(=O)NS2(=O)=O Z3271809051 [0,1,0,0,0,0|1,0,1]=3 23 B14R2.8055 CC1=CS(=O)(=O)C2=C(C=CC=C12)Cl Z1501181039 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.8055 CC1=CS(=O)(=O)C2=C(C=CC=C12)F Z1501455133 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.8055 NC1=C2C(=CC=C1)C(=O)NS2(=O)=O Z1262651616 [0,1,0,0,0,0|1,0,1]=3 26 B14R2.8055 O=C1NS(=O)(=O)C2=C(C=CC=C12)Cl Z1862012659 [0,1,0,0,0,0|1,0,1]=3 27 B14R2.8732 CC1=CC2=C(C=C1)C(=CS2(=O)=O)N Z1436017084 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.8732 NC1=CC2=C(C=C1)C(=O)NS2(=O)=O Z821058358 [0,1,0,0,0,0|1,0,1]=3 29 B14R2.8732 O=C1NS(=O)(=O)C2=C1C=CC(=C2)Cl Z1269206304 [0,1,0,0,0,0|1,0,1]=3 30 B14R2.8732 O=C1NS(=O)(=O)C2=C1C=CC(=C2)F Z1726086076 [0,1,0,0,0,0|1,0,1]=3 31 B14R2.45179 CNC1=NS(=O)(=O)C2=C1C=CC=C2 Z31222802 [0,1,0,0,0,0|1,0,0]=2 32 B14R2.45179 CNC1CS(=O)(=O)C2=C1C=CC=C2 Z1495385197 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.45179 NCC1CS(=O)(=O)C2=C1C=CC=C2 Z425994408 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.45179 O=S1(=O)CC(C2=C1C=CC=C2)CO Z2216314069 [0,1,0,0,0,0|2,0,1]=4 35 B14R2.57380 CC1C(=O)C2=C(S1(=O)=O)C=CC=C2 Z2718926009 [0,1,0,0,0,0|2,0,0]=3 36 B14R2.57380 CN1C(=O)C2=C(S1(=N)=O)C=CC=C2 Z4130553997 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.39 N#CCS(=O)(=O)C1=CC=CC=C1 Z104343452 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 Z426041548 [0,0,1,0,0,0|2,0,1]=4 39 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 Z147642528 [0,0,1,0,0,0|1,0,1]=3 40 B12R1.76 CCC1=C(C=CC=C1)S(=O)(=O)O Z2307166882 [0,0,1,0,0,0|2,0,1]=4 41 B12R1.76 CNC1=C(C=CC=C1)S(=O)(=O)N Z425343670 [0,0,1,0,0,0|2,0,1]=4 42 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)Cl Z56911956 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)N Z45415608 [0,0,1,0,0,0|2,0,1]=4 44 B12R1.76 N#CC1=C(C=CC=C1)S(=O)(=O)F Z1416172605 [0,0,1,0,0,0|2,0,1]=4 45 B12R1.76 N#CC1=C(C=CC=C1)S(=O)(=O)N Z45415633 [0,0,1,0,0,0|1,0,2]=4 46 B12R1.76 NCC1=C(C=CC=C1)S(=O)(=O)N Z2096659111 [0,0,1,0,0,0|1,0,2]=4 47 B12R1.76 NS(=O)(=O)C1=C(C=CC=C1)CO Z1216845248 [0,0,1,0,0,0|1,0,2]=4 48 B12R1.76 O=CC1=C(C=CC=C1)S(=O)(=O)Cl Z959662504 [0,0,1,0,0,0|2,0,0]=3 49 B12R1.76 O=S(=O)(F)C1=C(C=CC=C1)CCl Z1508671778 [0,0,1,0,0,0|1,0,1]=3 50 B12R1.76 O=S(=O)(O)C1=C(C=CC=C1)CO Z2239077794 [0,0,1,0,0,0|2,0,1]=4 51 B12R1.261 N=C(N)C1=C(C=CC=C1)C(=O)O Z3242292796 [0,0,1,0,0,0|2,0,1]=4 52 B12R1.261 N=C(N)C1=C(C=CC=C1)[N+](=O)[O-] Z2786051785 [0,0,1,0,0,0|2,0,1]=4 53 B14R2.8189 CC1=NS(=O)(=O)C2=C(N1)N=CC=C2 Z815272142 [0,0,0,0,0,1|2,0,0]=3 54 B14R2.8189 O=C1NC2=C(C=CC=C2)S(=O)(=O)N1 Z1198313436 [0,0,0,0,0,1|1,0,1]=3 55 B14R2.8189 O=C1NC2=C(C=CC=N2)S(=O)(=O)N1 Z1198157758 [0,0,0,0,0,1|2,0,1]=4 56 B14R2.29285 NC1CCS(=O)(=O)C2=C1C=CC=C2 Z149094958 [0,0,0,0,0,1|2,0,1]=4 57 B14R2.29285 N[C@H]1CCS(=O)(=O)C2=C1C=CC=C2 Z1473994882 [0,0,0,0,0,1|2,0,1]=4 58 B14R2.29285 O=C1CCS(=O)(=O)C2=C1C=CC=C2 Z56922070 [0,0,0,0,0,1|2,0,0]=3 59 B14R2.29285 O=C1NCS(=O)(=O)C2=C1C=CC=C2 Z1509188786 [0,0,0,0,0,1|1,0,1]=3 60 B14R2.29285 O=C1NNS(=O)(=O)C2=C1C=CC=C2 Z56942066 [0,0,0,0,0,1|1,0,1]=3 61 B14R2.29285 O=S1(=O)CCC(C2=C1C=CC=C2)O Z445987576 [0,0,0,0,0,1|2,0,1]=4 62 B14R2.29285 O=S1(=O)CC[C@@H](C2=C1C=CC=C2)O Z959151640 [0,0,0,0,0,1|2,0,1]=4 63 B14R2.29285 O=S1(=O)CC[C@H](C2=C1C=CC=C2)O Z959151642 [0,0,0,0,0,1|2,0,1]=4 64 B14R2.29496 N=C1NS(=O)(=O)CC2=C1C=CC=C2 Z954601956 [0,0,0,0,0,1|1,0,1]=3 65 B14R2.29496 NC1CS(=O)(=O)CC2=C1C=CC=C2 Z2583036232 [0,0,0,0,0,1|2,0,1]=4 66 B14R2.29496 O=C1CS(=O)(=O)CC2=C1C=CC=C2 Z1171603157 [0,0,0,0,0,1|2,0,0]=3 67 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 Z1020737978 [1,0,1,0,0,0|1,0,0]=3 68 B11R1.7 C=CS(=O)(=O)C1=CC=NC=C1 Z424784918 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.7 C=CS(=O)(=O)C1=NC=CC=C1 Z424784990 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 Z45527650 [1,0,1,0,0,0|0,0,2]=4 71 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 Z45457929 [1,0,1,0,0,0|1,0,1]=4 72 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 Z203881850 [1,0,1,0,0,0|0,0,1]=3 73 B11R1.7 O=S(=O)(NO)C1=CC=CC=C1 Z45528441 [1,0,1,0,0,0|1,0,1]=4 74 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)F Z1486020661 [1,0,1,0,0,0|1,0,1]=4 75 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)N Z57902803 [1,0,1,0,0,0|0,0,2]=4 76 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)O Z1198149968 [1,0,1,0,0,0|1,0,1]=4 77 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)Br Z432564044 [1,0,1,0,0,0|1,1,0]=4 78 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)F Z126944608 [1,0,1,0,0,0|1,1,0]=4 79 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N Z210801860 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)O Z815289314 [1,0,1,0,0,0|2,0,0]=4 81 B11R1.87 CS(=O)(=O)C1=C(N=CC=C1)Cl Z1255452931 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.87 NC1=C(C=CC=C1)S(=O)(=O)F Z1255485353 [1,0,1,0,0,0|2,0,0]=4 83 B11R1.87 NC1=C(C=CC=C1)S(=O)(=O)N Z278052056 [1,0,1,0,0,0|1,0,1]=4 84 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)Br Z45415642 [1,0,1,0,0,0|0,1,1]=4 85 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)Cl Z45415618 [1,0,1,0,0,0|0,0,1]=3 86 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)F Z45415581 [1,0,1,0,0,0|0,1,1]=4 87 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)I Z235542804 [1,0,1,0,0,0|0,1,1]=4 88 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)O Z1255467781 [1,0,1,0,0,0|1,0,1]=4 89 B11R1.87 NS(=O)(=O)C1=C(N=CC=C1)Cl Z271312234 [1,0,1,0,0,0|1,0,1]=4 90 B11R1.87 O=S(=O)(Cl)C1=C(C=CC=C1)Br Z56970121 [1,0,1,0,0,0|1,1,0]=4 91 B11R1.87 O=S(=O)(Cl)C1=C(C=CC=C1)Cl Z56931877 [1,0,1,0,0,0|1,0,0]=3 92 B11R1.87 O=S(=O)(Cl)C1=C(N=CC=C1)Cl Z255149920 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)Br Z1618011881 [1,0,1,0,0,0|1,1,0]=4 94 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)F Z1255453477 [1,0,1,0,0,0|1,1,0]=4 95 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)I Z3016190841 [1,0,1,0,0,0|1,1,0]=4 96 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)O Z1513874585 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.87 O=S(=O)(F)C1=C(C=CC=N1)Cl Z3016191962 [1,0,1,0,0,0|2,0,0]=4 98 B11R1.87 O=S(=O)(F)C1=C(C=NC=C1)Cl Z2471488261 [1,0,1,0,0,0|2,0,0]=4 99 B11R2.1 BrC1=NNC2=C1C=CC=C2 Z56791616 [2,0,0,0,0,0|1,1,0]=4 100 B11R2.1 CC1=NOC2=C1C=CC=C2 Z104341886 [2,0,0,0,0,0|1,1,0]=4 101 B11R2.1 ClC1=C2C=CC=CC2=NN1 Z1695729006 [2,0,0,0,0,0|1,0,1]=4 102 B11R2.1 ClC1=C2C=CC=CC2=NS1 Z992921742 [2,0,0,0,0,0|2,0,0]=4 103 B11R2.1 ClC1=CNC2=C1C=CC=C2 Z1020823312 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.1 ClC1=NSC2=C1C=CC=C2 Z57033963 [2,0,0,0,0,0|0,0,1]=3 105 B11R2.1 NC1=NNC2=C1C=CC=C2 Z56820416 [2,0,0,0,0,0|2,0,0]=4 106 B11R2.1 NC1=NOC2=C1C=CC=C2 Z218760918 [2,0,0,0,0,0|1,1,0]=4 107 B11R2.1 NC1=NSC2=C1C=CC=C2 Z56774438 [2,0,0,0,0,0|1,0,1]=4 108 B13R1.29 O=S(=O)(CCCl)C1=CC=C(C=C1)Br Z56346909 [0,1,1,0,0,0|1,0,1]=4 109 B13R1.122 C=CCNS(=O)(=O)C1=CC=CC=C1 Z45529910 [0,1,1,0,0,0|1,0,1]=4 110 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 Z57066885 [0,1,1,0,0,0|2,0,0]=4 111 B13R1.347 N=C(N)NS(=O)(=O)C1=CC=CC=C1 Z94601337 [0,1,1,0,0,0|1,0,1]=4 112 B13R1.347 NC(=O)CS(=O)(=O)C1=CC=CC=C1 Z19128437 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.108 CS(=O)(=O)C1=C(C(=CC=C1)Cl)C=O Z1269194838 [0,1,1,0,0,0|2,0,0]=4 114 B13R1.349 CC(=O)C1=C(C=CC=C1)S(=O)(=O)C Z1116403972 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.349 CS(=O)(=O)C1=C(C=CC=C1)C(=O)O Z57044274 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.349 NC(=O)C1=C(C=CC=C1)S(=O)(=O)N Z385455484 [0,1,1,0,0,0|1,0,1]=4 117 B13R1.349 O=C(O)C1=C(C=CC=C1)S(=O)(=O)O Z56759395 [0,1,1,0,0,0|2,0,0]=4 118 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 Z957336744 [0,1,1,0,0,0|2,0,0]=4 119 B13R2.2931 CCN1N=C(C2=C1C=CC=C2)Cl Z1570974375 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.5187 NC1=NC(=O)C2=C1C=CC(=C2)Cl Z1262633678 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.3108 CS1(=NCC2=C1C=CC(=C2)O)=O Z4461917987 [1,1,0,0,0,0|1,0,1]=4 122 B13R2.3791 NC1=CC2=C(C=C1)C=CS2(=O)=O Z445135574 [1,1,0,0,0,0|1,0,0]=3 123 B13R2.3791 NC1=CC2=C(C=C1)CCS2(=O)=O Z426040990 [1,1,0,0,0,0|1,0,1]=4 124 B13R2.4848 NC1=C2CCS(=O)(=O)C2=CC=C1 Z1227765671 [1,1,0,0,0,0|1,0,1]=4 125 B13R2.13023 NC1=C2C(=CC=C1)CCS2(=O)=O Z1227765670 [1,1,0,0,0,0|1,0,1]=4 126 B15R2.13166 CN1C(=O)NS(=O)(=O)C2=C1C=CC=C2 Z2229328886 [0,1,0,0,0,1|1,0,1]=4 127 B15R2.13973 CC1=NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1 Z1269122570 [0,1,0,0,0,1|1,0,1]=4 128 B15R2.13973 CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Br Z734043408 [0,1,0,0,0,1|1,0,0]=3 129 B15R2.7494 O=C1CCS(=O)(=O)C2=C1C=C(C=C2)Br Z390053186 [0,1,0,0,0,1|2,0,0]=4 130 B15R2.7494 O=C1CCS(=O)(=O)C2=C1C=C(C=C2)Cl Z150864404 [0,1,0,0,0,1|2,0,0]=4 131 B15R2.7494 O=C1CCS(=O)(=O)C2=C1C=C(C=C2)F Z90123570 [0,1,0,0,0,1|2,0,0]=4 132 B15R2.13622 O=C1CCS(=O)(=O)C2=C(C=CC=C12)F Z126793862 [0,1,0,0,0,1|2,0,0]=4 133 B15R2.61763 CN1CC(=O)C2=C(S1(=O)=O)C=CC=C2 Z1269188747 [0,1,0,0,0,1|1,0,1]=4 134 B15R2.13861 CN1C2=C(C=CC=C2)C(=CS1(=O)=O)N Z3305009850 [0,1,0,0,0,1|2,0,0]=4 135 B15R2.13861 CN1C2=C(C=CC=C2)C(=O)CS1(=O)=O Z1269230545 [0,1,0,0,0,1|2,0,0]=4 136 B15R2.50278 O=C1CS(=O)(=O)NC2=C1C=C(C=C2)F Z1813198246 [0,1,0,0,0,1|2,0,0]=4 137 B15R2.53061 CC1=C2C(=CC(=C1)F)C(=O)NS2(=O)=O Z1375770357 [0,2,0,0,0,0|1,0,1]=4 138 B15R2.20946 COC1=C2C(=O)NS(=O)(=O)C2=CC=C1 Z2311281580 [0,2,0,0,0,0|1,0,1]=4 139 B15R2.56234 CCNC1=NS(=O)(=O)C2=C1C=CC=C2 Z31223976 [0,2,0,0,0,0|1,0,0]=3 140 B15R2.202 CCN1C(=O)C2=C(S1(=O)=O)C=CC=C2 Z53837734 [0,2,0,0,0,0|1,0,1]=4 141 B15R2.202 O=C1C2=C(C=CC=C2)S(=O)(=O)N1CCl Z56889123 [0,2,0,0,0,0|1,0,1]=4 142 B13R2.3122 O=S1(=O)NC=NC2=C1C=CC=C2 Z756371174 [0,0,1,1,0,0|1,0,1]=4 143 B13R2.222 O=S1(=O)CCC2=C(N1)C=CC=C2 Z1862025194 [1,0,0,0,0,1|1,0,1]=4 144 B15R2.992 O=C1CS(=O)(=O)CC2=C(N1)C=CC=C2 Z1509155755 [0,0,0,0,0,2|2,0,0]=4 145 B15R2.65988 O=C1CCCS(=O)(=O)C2=C1C=CC=C2 Z384973762 [0,0,0,0,0,2|2,0,0]=4