0 B11R1.17 C=CCCC1=C(Br)C=CC=C1 8652AE [0,0,0,0,0,0|1,1,1]=3 1 B11R1.17 C=CCCC1=C(Cl)C=CC=C1 9630AD [0,0,0,0,0,0|1,0,1]=2 2 B11R1.17 C=CCCC1=CC=CC=C1F 8653AE [0,0,0,0,0,0|1,1,1]=3 3 B11R1.17 CC1=CC=CC=C1CCC=O 6596AD [0,0,0,0,0,0|3,0,0]=3 4 B11R1.17 CCCOC1=NC=CC=C1N 8654AB [0,0,0,0,0,0|4,0,0]=4 5 B11R1.17 CCNCC1=C(O)C=CC=C1 5372AJ [0,0,0,0,0,0|3,0,0]=3 6 B11R1.17 CNCCC1=C(Cl)C=CC=C1 4940AE [0,0,0,0,0,0|0,0,0]=0 7 B11R1.17 CNCCC1=CC=CC=C1C 9270AE [0,0,0,0,0,0|1,0,0]=1 8 B11R1.17 COCOC1=CC=CC=C1Cl Z0465 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.17 N#CCCC1=CC=CC=C1Cl 1363AC [0,0,0,0,0,0|2,0,0]=2 10 B11R1.17 NC1=C(CCCO)C=CC=N1 2253AF [0,0,0,0,0,0|4,0,0]=4 11 B11R1.17 NCCCC1=C(Br)C=CC=C1 5612AJ [0,0,0,0,0,0|2,1,0]=3 12 B11R1.17 NCCCC1=CC=CC=C1Cl 6271AD [0,0,0,0,0,0|2,0,0]=2 13 B11R1.17 O=CCCC1=CC=CC=C1Cl 7894AA [0,0,0,0,0,0|2,0,0]=2 14 B11R1.17 OCCCC1=C(O)C=CN=C1 0921AD [0,0,0,0,0,0|4,0,0]=4 15 B10R1.4 C=CCC1=C(Cl)C=CC=C1 7969AA [1,0,0,0,0,0|0,0,2]=3 16 B10R1.4 C=CCC1=C(F)C=CC=C1 5696AE [1,0,0,0,0,0|0,1,2]=4 17 B10R1.4 CC1=CC=CC=C1CC=O 7409AC [1,0,0,0,0,0|2,0,1]=4 18 B10R1.4 CCOC1=C(Cl)C=CN=C1 0184AA [1,0,0,0,0,0|2,0,0]=3 19 B10R1.4 CCOC1=CC=CN=C1F Z0876 [1,0,0,0,0,0|2,1,0]=4 20 B10R1.4 ClCOC1=C(Cl)C=CC=C1 8609AB [1,0,0,0,0,0|2,0,0]=3 21 B10R1.4 NC1=NC=CC=C1CCO 6447AC [1,0,0,0,0,0|3,0,0]=4 22 B10R1.4 NCCC1=C(F)C=CC=N1 1108AJ [1,0,0,0,0,0|1,1,0]=3 23 B10R1.4 NCCN1C=CC=CC1=O Y8846 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.4 NOCC1=CC=CC=C1Br 7199AB [1,0,0,0,0,0|1,1,0]=3 25 B10R1.4 O=C1C=CC=CN1CCCl 7140AB [1,0,0,0,0,0|3,0,0]=4 26 B10R1.4 O=CCC1=CC=CC=C1Br X2126 [1,0,0,0,0,0|1,1,1]=4 27 B10R1.4 O=CCC1=CC=CC=C1Cl 5867AB [1,0,0,0,0,0|1,0,1]=3 28 B10R1.17 BrCCCC1=CN=CC=C1 8653AC [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 C#CCNC1=CC=CC=C1 6094AD [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 COCOC1=CC=CC=C1 0189AF [1,0,0,0,0,0|2,0,0]=3 31 B12R1.25 CC1=C(F)C=CC=C1CCCN 1955AE [0,1,0,0,0,0|3,0,0]=4 32 B12R1.25 FC1=CC=CC(CCCBr)=C1F 1296AA [0,1,0,0,0,0|2,1,0]=4 33 B12R1.69 C=CCCC1=C(Cl)C=C(Cl)C=C1 9628AD [0,1,0,0,0,0|1,0,1]=3 34 B12R1.69 CCCOC1=C(N)C=C(C)C=C1 8328AE [0,1,0,0,0,0|3,0,0]=4 35 B12R1.69 NCCOC1=CC=C(Cl)C=C1Cl 0819AD [0,1,0,0,0,0|3,0,0]=4 36 B12R1.121 C=CCCC1=CC=CC=C1C#N 6848AE [0,1,0,0,0,0|2,0,1]=4 37 B12R1.121 C=CCCC1=CC=CC=C1OC 7184AE [0,1,0,0,0,0|2,0,1]=4 38 B12R1.125 C=C(Br)CCC1=CC=CC=C1C 7422AE [0,1,0,0,0,0|2,0,1]=4 39 B12R1.267 CC1=CC=CC=C1CNCCN 6860AE [0,1,0,0,0,0|3,0,0]=4 40 B12R1.267 CCCCNC1=NC=CC=C1N 5207AE [0,1,0,0,0,0|3,0,0]=4 41 B12R1.267 CCCCOC1=CC=CC=C1N 3822AE [0,1,0,0,0,0|2,0,0]=3 42 B12R1.267 FC1=C(OCCCBr)C=CC=C1 4432AD [0,1,0,0,0,0|2,1,0]=4 43 B12R1.267 NCCCOC1=CC=CC=C1Cl 5614AJ [0,1,0,0,0,0|2,0,0]=3 44 B12R1.267 NCCCOC1=CC=CC=C1F 9752AC [0,1,0,0,0,0|2,1,0]=4 45 B12R1.267 NCCNCC1=CC=CC=C1Cl 6894AE [0,1,0,0,0,0|2,0,0]=3 46 B12R1.267 NCCNCC1=CC=CC=C1F 6408AC [0,1,0,0,0,0|2,1,0]=4 47 B12R1.267 NCCOCC1=CC=CC=C1Cl 7562AE [0,1,0,0,0,0|2,0,0]=3 48 B12R1.308 N[C@@H](CCO)C1=CC=CC=C1Cl 1292AL [0,1,0,0,0,0|2,0,0]=3 49 B12R1.374 OCCCC1=C(Cl)N=CC(F)=C1 2657AD [0,1,0,0,0,0|3,0,0]=4 50 B12R2.24 CC1CNC2=CC=CC=C2N1 1064AQ [0,0,0,1,0,0|3,0,0]=4 51 B12R2.24 CN1CCC2=C(C=CC=C2)C1 7528AB [0,0,0,1,0,0|1,0,0]=2 52 B12R2.32 CNC1CC2=CC=CC=C2C1 8229AD [0,0,0,1,0,0|1,0,0]=2 53 B12R2.32 NCC1CC2=C(C=CC=C2)C1 1347AJ [0,0,0,1,0,0|3,0,0]=4 54 B12R2.41 C1=CC2=C(C=C1)SCCNC2 8761AB [0,0,0,1,0,0|3,0,0]=4 55 B12R2.41 C1=CC2=C(CCCCC2)N=C1 0725AQ [0,0,0,1,0,0|3,0,0]=4 56 B12R2.41 C1=CC=C2OCCCNC2=C1 1334AJ [0,0,0,1,0,0|3,0,0]=4 57 B12R2.41 C1=CC=C2SCCNCC2=C1 7459AA [0,0,0,1,0,0|3,0,0]=4 58 B12R2.196 CC1=CNC2=C1C=CC=C2Cl 3073AL [0,0,0,1,0,0|2,0,1]=4 59 B12R2.196 CC1=CSC2=C(Cl)C=CC=C12 Z5476 [0,0,0,1,0,0|2,0,1]=4 60 B12R2.196 CN1N=CC2=C1C=CC=C2I W9622 [0,0,0,1,0,0|1,1,1]=4 61 B12R2.196 NC1CCC2=C(O)C=CC=C21 9671AH [0,0,0,1,0,0|3,0,0]=4 62 B12R2.196 NC1CCC2=C(O)C=CC=C21 9674AH [0,0,0,1,0,0|3,0,0]=4 63 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 4404AA [0,0,0,1,0,0|2,1,0]=4 64 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F 6243AC [0,0,0,1,0,0|2,1,0]=4 65 B12R2.196 O=C1CCC2=C1C=CC=C2I W7326 [0,0,0,1,0,0|2,1,0]=4 66 B12R2.517 ClC1=CC=CC=C1C2CNC2 2202AL [0,0,0,1,0,0|0,0,0]=1 67 B12R2.517 FC1=CC=CC=C1C2CNC2 2204AL [0,0,0,1,0,0|0,1,0]=2 68 B12R2.1081 ClC1=NC=NC2=C1CCNC2 X5476 [0,0,0,1,0,0|2,0,0]=3 69 B12R2.1081 FC1=C2CNCCC2=CC=C1 3784AJ [0,0,0,1,0,0|2,1,0]=4 70 B12R2.1081 FC1=CC=CC2=C1CCCN2 X9437 [0,0,0,1,0,0|2,1,0]=4 71 B12R2.1081 NC1=C2CCCOC2=CC=C1 3919AJ [0,0,0,1,0,0|3,0,0]=4 72 B12R2.1081 NC1=CC=CC2=C1NCCC2 9586AH [0,0,0,1,0,0|3,0,0]=4 73 B12R2.1081 O=C1NC=CC2=C1CCNC2 Y6683 [0,0,0,1,0,0|2,0,0]=3 74 B12R2.1081 OC1=CC=CC2=C1CCCN2 9583AH [0,0,0,1,0,0|3,0,0]=4 75 B12R2.1081 OC1=CC=CC2=C1CCNC2 0688AA [0,0,0,1,0,0|1,0,0]=2 76 B10R1.29 CNCCN1C=CN=C1C 1680AF [0,0,0,0,1,0|3,0,0]=4 77 B9R1.8 CNCC1=CC=NC=N1 4986AA [2,0,0,0,0,0|2,0,0]=4 78 B9R1.8 CNCC1=CN=CC=C1 7435AH [2,0,0,0,0,0|1,0,0]=3 79 B9R1.8 ClCCC1=CC=NC=C1 2738AB [2,0,0,0,0,0|2,0,0]=4 80 B9R1.8 ClCCC1=CN=CC=C1 5261AB [2,0,0,0,0,0|2,0,0]=4 81 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [2,0,0,0,0,0|2,0,0]=4 82 B9R1.8 NCCC1=CN=CN=C1 3332AC [2,0,0,0,0,0|2,0,0]=4 83 B9R1.8 NCCC1=NC=CC=N1 4806AC [2,0,0,0,0,0|2,0,0]=4 84 B9R1.8 NCCC1=NC=NC=C1 1885AJ [2,0,0,0,0,0|2,0,0]=4 85 B9R1.8 NCCC1=NC=NC=C1 1886AJ [2,0,0,0,0,0|2,0,0]=4 86 B9R1.8 NNCC1=CC=CC=N1 4874AC [2,0,0,0,0,0|2,0,0]=4 87 B9R1.15 CNC1=NC=CN=C1Cl 5057AE [2,0,0,0,0,0|2,0,0]=4 88 B9R1.15 COC1=C(Cl)C=NC=C1 3447AC [2,0,0,0,0,0|2,0,0]=4 89 B9R1.15 CSC1=NC=CC=C1Cl Z1214 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.15 NCC1=C(F)N=CC=C1 3392AC [2,0,0,0,0,0|1,1,0]=4 91 B9R1.15 NCC1=C(N)C=CC=N1 5249AJ [2,0,0,0,0,0|2,0,0]=4 92 B9R1.15 NCC1=C(N)C=NC=C1 7105AA [2,0,0,0,0,0|2,0,0]=4 93 B9R1.15 NCC1=CC=CN=C1N 4362AD [2,0,0,0,0,0|2,0,0]=4 94 B9R1.15 NCC1=CC=CNC1=O Y1980 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.13 CCOC1=CC=CC(O)=C1O 3718AB [1,1,0,0,0,0|2,0,0]=4 96 B11R1.13 NOCC1=C(Cl)C(Cl)=CC=C1 0054AE [1,1,0,0,0,0|1,0,0]=3 97 B11R1.13 O=CCC1=C(Cl)C(Cl)=CC=C1 2420AA [1,1,0,0,0,0|1,0,1]=4 98 B11R1.41 COC1=C(CCN)C=CN=C1 1115AJ [1,1,0,0,0,0|2,0,0]=4 99 B11R1.41 N#CC1=CC=CC=C1CCO 5830AB [1,1,0,0,0,0|2,0,0]=4 100 B11R1.81 CCOC1=CC=C(Cl)C=C1Br Y3880 [1,1,0,0,0,0|1,1,0]=4 101 B11R1.81 CCOC1=CC=C(F)C=C1O Z0556 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.86 CC(=O)CC1=CC=CC=C1O 5670AA [1,1,0,0,0,0|1,0,1]=4 103 B11R1.86 CC(C)CC1=CC=CC=C1O 5740AB [1,1,0,0,0,0|1,0,0]=3 104 B11R1.86 CC(C)OC1=NC=CC=C1Cl Z0472 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.86 CC1=CC=CN=C1CC(C)O 9155AE [1,1,0,0,0,0|2,0,0]=4 106 B11R1.182 CCOC1=CC(Br)=CC=C1Br Y3814 [1,1,0,0,0,0|1,1,0]=4 107 B11R1.222 CC[C@@H](N)C1=CC=CC=C1Cl 3808AA [1,1,0,0,0,0|0,0,0]=2 108 B11R1.222 CNC(=O)C1=CC=CC=C1S 0033AP [1,1,0,0,0,0|1,0,1]=4 109 B11R1.222 NCC(=O)C1=CC=CC=C1F L160 [1,1,0,0,0,0|0,1,1]=4 110 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 1575AB [1,1,0,0,0,0|0,0,0]=2 111 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 5504AB [1,1,0,0,0,0|0,0,0]=2 112 B11R1.222 NCC(O)C1=CC=CC=C1I 0299AA [1,1,0,0,0,0|0,1,0]=3 113 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 4897AJ [1,1,0,0,0,0|1,0,1]=4 114 B11R1.605 NC1=C(CCO)C(F)=CC=C1 6001AA [1,1,0,0,0,0|1,1,0]=4 115 B11R1.1 C=CCCC1=CC=C(Br)C=C1 4835AD [1,1,0,0,0,0|1,0,1]=4 116 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 9629AD [1,1,0,0,0,0|1,0,1]=4 117 B11R1.1 CCOCC1=CC=C(O)C=C1 Z4904 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.1 CNCCC1=CC=C(C)C=C1 1463AB [1,1,0,0,0,0|0,0,0]=2 119 B11R1.1 COCOC1=CC=C(C)C=C1 2069AB [1,1,0,0,0,0|2,0,0]=4 120 B11R1.1 NC1=CC=C(CCCO)C=C1 2833AC [1,1,0,0,0,0|2,0,0]=4 121 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 1755AC [1,1,0,0,0,0|2,0,0]=4 122 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [1,1,0,0,0,0|1,0,1]=4 123 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 1033AL [1,1,0,0,0,0|1,0,1]=4 124 B11R1.16 CCCC(N)C1=CC=NC=C1 4969AJ [1,1,0,0,0,0|2,0,0]=4 125 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 2792AC [1,1,0,0,0,0|2,0,0]=4 126 B11R1.24 CC1=CC(CCC=O)=CC=C1 4286AF [1,1,0,0,0,0|2,0,0]=4 127 B11R1.24 CNCCC1=CC(Br)=CC=C1 9730AE [1,1,0,0,0,0|0,0,0]=2 128 B11R1.24 N#CCCC1=CC(F)=CC=C1 2070AB [1,1,0,0,0,0|2,0,0]=4 129 B11R1.24 N#CCCC1=CC=CC(Cl)=C1 1006AB [1,1,0,0,0,0|2,0,0]=4 130 B11R1.28 CC#CCNC1=CC=CC=C1 0461AD [1,1,0,0,0,0|1,0,1]=4 131 B11R1.28 CNCCCC1=CC=CC=N1 7821AA [1,1,0,0,0,0|1,0,0]=3 132 B11R1.28 CNCCCC1=CC=NC=C1 4337AJ [1,1,0,0,0,0|1,0,0]=3 133 B11R1.28 ClCCCCC1=CC=NC=C1 7442AB [1,1,0,0,0,0|2,0,0]=4 134 B11R1.40 CNC(C)CC1=NC=CN=C1 3718AF [1,1,0,0,0,0|2,0,0]=4 135 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [1,1,0,0,0,0|2,0,0]=4 136 B13R1.1601 CCCOC1=C(Cl)C=C(Br)C=C1Cl Y3937 [0,2,0,0,0,0|2,0,0]=4 137 B13R1.2679 COC(=O)CC1=CC=C(Br)C=C1Cl X2839 [0,2,0,0,0,0|1,0,1]=4 138 B13R1.90 C=C(C)CCC1=CC=CC=C1OC 6129AD [0,2,0,0,0,0|2,0,0]=4 139 B13R1.91 CNC(C)CC1=CC=CC=C1OC 0320AQ [0,2,0,0,0,0|1,0,0]=3 140 B13R1.572 CCCCC1=CC=CC=C1S(=O)[O-] 4827AC [0,2,0,0,0,0|2,0,0]=4 141 B13R1.202 N[C@@H](CC1=CC=CC=C1Cl)C(=O)O 9670AA [0,2,0,0,0,0|2,0,0]=4 142 B13R1.555 CCOCCNC1=CC=CC=C1N 6571AC [0,2,0,0,0,0|2,0,0]=4 143 B11R2.20 C1=CC2=C(C=C1)CNCC2 1479AL [1,0,0,1,0,0|1,0,0]=3 144 B11R2.20 C1=CC2=C(C=N1)CNCC2 1745AA [1,0,0,1,0,0|2,0,0]=4 145 B11R2.20 C1=CC2=C(C=N1)NCCC2 6452AA [1,0,0,1,0,0|2,0,0]=4 146 B11R2.20 C1=CC2=C(C=N1)NCCC2 9568AH [1,0,0,1,0,0|2,0,0]=4 147 B11R2.55 CC1=C(C2CC2)C=NC=C1 Y3951 [1,0,0,1,0,0|2,0,0]=4 148 B11R2.55 ClC1=CC=CN=C1C2CC2 Z0133 [1,0,0,1,0,0|1,0,0]=3 149 B11R2.106 ClC1=C2C=NNC2=CC=C1 X7155 [1,0,0,1,0,0|1,0,1]=4 150 B11R2.106 NC1=C2NCCC2=CC=C1 1351AJ [1,0,0,1,0,0|2,0,0]=4 151 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [1,0,0,1,0,0|2,0,0]=4 152 B11R2.239 C1=CC=C(C2CNC2)C=C1 2383AJ [1,0,0,1,0,0|0,0,0]=2 153 B11R2.239 C1=CC=C(C2CNC2)C=C1 6027AB [1,0,0,1,0,0|0,0,0]=2 154 B11R2.239 C1=CC=C(C2COC2)C=C1 0754AA [1,0,0,1,0,0|1,0,0]=3 155 B13R2.54 CCC1=CC2=C(C1)C(Cl)=CC=C2 6403AB [0,1,0,1,0,0|1,0,1]=4 156 B13R2.4820 BrC1=CC=CC2=C1NCCCC2 6632AA [0,1,0,1,0,0|1,1,0]=4 157 B13R2.4820 ClC1=NC=NC2=C1CCNCC2 1287AA [0,1,0,1,0,0|2,0,0]=4 158 B13R2.328 ClC1=NC(Cl)=C2CCNCC2=N1 X8467 [0,1,0,1,0,0|2,0,0]=4 159 B13R2.1 CNCC1=CNC2=C1C=CC=C2 1655AE [0,1,0,1,0,0|1,0,1]=4 160 B13R2.33 NC1CCC2=CC=CC=C2CC1 3368AJ [0,1,0,1,0,0|2,0,0]=4 161 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 8488AA [0,1,0,1,0,0|1,0,0]=3 162 B13R2.621 COC1=CC=CC=C1CC2CO2 3781AL [0,1,0,1,0,0|2,0,0]=4 163 B13R2.1613 COC1=CC=CC2=C1CCCC2 2931AL [0,1,0,1,0,0|2,0,0]=4 164 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)C1 5615AJ [0,1,0,1,0,0|1,0,0]=3 165 B13R2.435 CC(=O)C1CC2=C(C=CC=C2)C1 0858AE [0,1,0,1,0,0|2,0,0]=4 166 B13R2.5179 O=C1CCC2=C(C=CC=C2Cl)C1 3335AH [0,1,0,1,0,0|1,0,0]=3 167 B13R2.5179 O=C1CCC2=C(C=CC=C2F)C1 3215AJ [0,1,0,1,0,0|1,1,0]=4 168 B13R2.18 OC1=CC=CC=C1N2CCCC2 4157AE [0,1,0,1,0,0|2,0,0]=4 169 B13R2.26 CNCC1=CC2=CC=CC=C2N1 2844AF [0,1,0,1,0,0|1,0,1]=4 170 B13R2.342 NC1CCCC2=C(Cl)C=CC=C21 3169AJ [0,1,0,1,0,0|1,0,0]=3 171 B13R2.342 NC1CCCC2=C(F)C=CC=C21 5120AC [0,1,0,1,0,0|1,1,0]=4 172 B13R2.342 N[C@@H]1CCCC2=C(Cl)C=CC=C21 8359AH [0,1,0,1,0,0|1,0,0]=3 173 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 1139AL [0,1,0,1,0,0|2,0,0]=4 174 B13R2.342 O=C1NCCC2=C1C=CC=C2Cl 5827AH [0,1,0,1,0,0|0,0,1]=3 175 B13R2.3097 NC(C1=CC=CC=C1Br)C2CC2 5303AA [0,1,0,1,0,0|1,1,0]=4 176 B13R2.3097 O=C(C1=CC=CC=C1Cl)C2CC2 4636AD [0,1,0,1,0,0|1,0,1]=4 177 B13R2.217 OC1(CC2=C(Cl)C=CC=C2)CC1 5029AJ [0,1,0,1,0,0|1,0,0]=3 178 B13R2.3683 CN1CCC2=CC(Br)=CC=C2C1 3449AJ [0,1,0,1,0,0|1,0,0]=3 179 B9R1.33 CNCC1=CSC=C1Br 4408AJ [1,0,0,0,1,0|1,1,0]=4 180 B9R1.33 NCCC1=C(Br)SC=C1 4754AC [1,0,0,0,1,0|1,1,0]=4 181 B9R1.12 CCCCC1C=CC=C1 5026AC [1,0,0,0,1,0|1,0,1]=4