0 B11R1.17 CCCOC1=C(O)C=CC=C1 13203 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.17 CCCOC1=NC=CC=C1I 31888 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.17 CCCOC1=NC=CC=C1N 31889 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.17 FC1=C(OCCBr)C=CC=C1 16330 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.17 NCCOC1=C(F)C=CC=C1 19159 [0,0,0,0,0,0|3,1,0]=4 5 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [0,0,0,0,0,0|2,1,0]=3 6 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.4 CCNC1=C(N)C=CN=C1 26071 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 CCNC1=NC=CC=C1N 6237 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 CCOC1=C(Br)C=NC=C1 34353 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [1,0,0,0,0,0|1,1,0]=3 17 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [1,0,0,0,0,0|2,1,0]=4 18 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [1,0,0,0,0,0|1,1,0]=3 19 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.4 CCOC1=C(N)C=NC=C1 9610 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.4 CCOC1=CC=CN=C1Br 5890 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.4 CCOC1=CC=CN=C1C 34423 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.4 CCOC1=CC=CN=C1N 5585 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.4 CCOC1=NC=CC=C1Br 6233 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.4 CCOC1=NC=CC=C1I 9248 [1,0,0,0,0,0|2,1,0]=4 28 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,0,0,0,0,0|1,1,0]=3 31 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [1,0,0,0,0,0|0,0,2]=3 32 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [1,0,0,0,0,0|0,1,2]=4 33 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [1,0,0,0,0,0|0,1,2]=4 34 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,0,0,0,0,0|0,0,0]=1 37 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,0,0,0,0,0|0,1,0]=2 38 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [1,0,0,0,0,0|1,1,0]=3 40 B10R1.4 NNCc1ccccc1F 34909 [1,0,0,0,0,0|1,1,0]=3 41 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.4 Nc1ccccc1CCO 22282 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 3731 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.4 S=C=NC1=C(Br)C=CC=C1 35890 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.17 CCNCC1=NC=CC=C1 23918 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 CNCCC1=CC=NC=C1 14195 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 NCCCC1=CC=CN=C1 23791 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.17 NNCOC1=CC=CN=C1 16450 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.17 OCCCC1=CC=CN=C1 13083 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 OCCCC1=CC=NC=C1 13084 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 OCCCC1=NC=CC=C1 13082 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [1,0,0,0,0,0|2,0,1]=4 70 B12R1.25 CCCOC1=C(F)C(F)=CC=C1 21556 [0,1,0,0,0,0|2,1,0]=4 71 B12R1.25 COCOC1=CC=CC(Br)=C1O 33840 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 34144 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.69 CCCOC1=C(S)C=C(Cl)C=C1 6859 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 15107 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.121 CCCOC1=C(C=O)C=CC=C1 3160 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [0,1,0,0,0,0|2,1,0]=4 79 B12R1.267 C=CCCOC1=CC=CN=C1Br 19242 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.267 CC1=C(OCCCN)C=CC=C1 19190 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.267 CCCCOC1=CC=CN=C1Br 5768 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.267 CCCCOC1=CC=CN=C1Cl 6126 [0,1,0,0,0,0|2,1,0]=4 83 B12R1.267 N#CCCNC1=C(Cl)C=CC=C1 22029 [0,1,0,0,0,0|2,1,0]=4 84 B12R1.267 NCCCOC1=C(Cl)C=CC=C1 19182 [0,1,0,0,0,0|2,1,0]=4 85 B12R1.267 NCCCOC1=C(F)C=CC=C1 19167 [0,1,0,0,0,0|2,1,0]=4 86 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 21426 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 3937 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.308 N#CCC(=O)C1=C(Br)C=CC=C1 12044 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 25827 [0,1,0,0,0,0|1,0,1]=3 90 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.24 NN1CCC2=CC=CC=C2C1 27729 [0,0,0,1,0,0|2,0,0]=3 92 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,0,0,1,0,0|2,0,1]=4 95 B12R2.32 N#CC1CC2=CC=CC=C2C1 23088 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.41 C1=CC2=C(C=C1)CCNCC2 17660 [0,0,0,1,0,0|1,0,0]=2 97 B12R2.41 C1=CC2=C(C=C1)CCNCC2 27339 [0,0,0,1,0,0|1,0,0]=2 98 B12R2.41 C1=CC2=C(C=C1)NCCNC2 14772 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.41 C1=CC2=C(C=C1)NCCNC2 26150 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.41 C1=CC2=C(C=C1)SCCNC2 25306 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 8834 [0,0,0,1,0,0|3,0,0]=4 102 B12R2.196 CC1=COC2=C1C=CC=C2Br 32467 [0,0,0,1,0,0|2,0,1]=4 103 B12R2.196 CC1=CSC2=C1C=CC=C2Br 33023 [0,0,0,1,0,0|2,0,1]=4 104 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 28049 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.196 CN1C=CC2=C(N)C=CC=C21 9377 [0,0,0,1,0,0|1,0,2]=4 106 B12R2.196 CN1C=NC2=C1C=CC=C2Br 28934 [0,0,0,1,0,0|1,0,1]=3 107 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 32558 [0,0,0,1,0,0|1,0,1]=3 108 B12R2.196 CN1N=CC2=C(Br)C=NC=C21 33388 [0,0,0,1,0,0|2,0,1]=4 109 B12R2.196 CN1N=CC2=C1C=CC=C2O 28070 [0,0,0,1,0,0|2,0,1]=4 110 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 13784 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 5340 [0,0,0,1,0,0|2,1,0]=4 112 B12R2.196 O=C1CCC2=C(F)C=CC=C12 13785 [0,0,0,1,0,0|2,1,0]=4 113 B12R2.196 O=C1CCC2=C(O)C=CC=C12 9659 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 22006 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.225 OC1=C(OC2CC2)C=CC=C1 26352 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.1081 BrC1=C2CCCNC2=CC=C1 24714 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.1081 BrC1=C2CCCNC2=CN=C1 14709 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.1081 BrC1=C2CCCNC2=CN=C1 21049 [0,0,0,1,0,0|3,0,0]=4 119 B12R2.1081 BrC1=C2CCNCC2=CC=C1 24723 [0,0,0,1,0,0|0,0,0]=1 120 B12R2.1081 BrC1=C2CNCCC2=CC=C1 24728 [0,0,0,1,0,0|2,0,0]=3 121 B12R2.1081 ClC1=C2CCCNC2=CC=C1 27777 [0,0,0,1,0,0|2,1,0]=4 122 B12R2.1081 ClC1=C2NCCCC2=CC=C1 27930 [0,0,0,1,0,0|2,1,0]=4 123 B12R2.1081 ClC1=NC=NC2=C1CCNC2 23183 [0,0,0,1,0,0|2,1,0]=4 124 B12R2.1081 FC1=C2CCCNC2=CC=C1 33719 [0,0,0,1,0,0|2,1,0]=4 125 B12R2.1081 FC1=C2CCCNC2=CC=C1 33720 [0,0,0,1,0,0|2,1,0]=4 126 B12R2.1081 O=C1NC=CC2=C1CCNC2 17880 [0,0,0,1,0,0|2,0,0]=3 127 B12R2.1081 OC1=C2NCCCC2=CC=C1 12789 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.1081 OC1=CC=CC2=C1CC=CC2 35782 [0,0,0,1,0,0|2,0,1]=4 129 B12R2.1081 OC1=CC=CC2=C1CCCC2 22497 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.8 BrCCC1=CC=CN=C1 21399 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.8 BrCCC1=NC=CC=C1 23421 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.8 C=CCC1=CC=CC=C1 29358 [2,0,0,0,0,0|0,0,2]=4 134 B9R1.8 CCCC1=CC=CC=C1 10852 [2,0,0,0,0,0|0,0,0]=2 135 B9R1.8 CCCC1=CC=NC=C1 15021 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.8 CCOC1=CC=NC=C1 1125 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 CCOC1=NC=CC=C1 1126 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.8 CCSC1=CC=CC=C1 10773 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.8 CNCC1=CC=CC=C1 19910 [2,0,0,0,0,0|0,0,0]=2 140 B9R1.8 CNCC1=CC=CC=C1 25218 [2,0,0,0,0,0|0,0,0]=2 141 B9R1.8 CNCC1=CC=CC=C1 5801 [2,0,0,0,0,0|0,0,0]=2 142 B9R1.8 COCC1=CC=CC=C1 15300 [2,0,0,0,0,0|1,0,0]=3 143 B9R1.8 ClCCC1=CC=CC=C1 26674 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.8 ClCCC1=CC=CN=C1 23929 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.8 ClCSC1=CC=CC=C1 10735 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.8 NCCC1=CC=CN=C1 13196 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.8 NCCC1=CC=CN=C1 14084 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.8 NCCC1=CC=NC=C1 13447 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.8 NCCC1=NC=CC=C1 2592 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.8 NCCc1ccccc1 21077 [2,0,0,0,0,0|0,0,0]=2 151 B9R1.8 NNCC1=CC=CC=C1 29056 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.8 NOCC1=CC=CC=C1 24804 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.8 NOCC1=CC=CC=C1 7095 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.8 OCCC1=NC=CC=C1 2593 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.8 ONCC1=CC=CC=C1 25520 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.8 SCCC1=CC=CN=C1 25052 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 SCCC1=NC=CC=C1 25015 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.15 BrCC1=C(Br)C=CC=C1 16915 [2,0,0,0,0,0|1,0,0]=3 159 B9R1.15 BrCC1=C(I)C=CC=C1 14812 [2,0,0,0,0,0|1,1,0]=4 160 B9R1.15 BrCC1=CC=CN=C1Br 22284 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.15 C=CC1=C(Br)C=CC=C1 23975 [2,0,0,0,0,0|0,0,2]=4 162 B9R1.15 CC1=C(CCl)C=CC=C1 7487 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.15 CC1=C(CN)C=CC=C1 10197 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.15 CC1=C(NN)C=CC=C1 22584 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.15 CC1=C(NN)C=CC=C1 6396 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [2,0,0,0,0,0|0,0,0]=2 167 B9R1.15 CCC1=C(I)C=CC=C1 3876 [2,0,0,0,0,0|0,1,0]=3 168 B9R1.15 CCC1=C(N)C=CC=C1 20945 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.15 CCC1=C(N)C=CC=C1 21080 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.15 CCC1=C(O)C=CC=C1 3871 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.15 CCC1=C(S)C=CC=C1 6844 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.15 CCC1=CC=CN=C1N 35166 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.15 CCC1=NC=CC=C1Br 27958 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.15 CC[N+]1=C(Br)C=CC=C1 35190 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.15 CNC1=C(F)C=CC=C1 15527 [2,0,0,0,0,0|0,1,0]=3 176 B9R1.15 CNC1=C(N)C=NC=C1 29063 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.15 CNC1=CC=CC=C1N 14987 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.15 COC1=C(Br)C=CC=C1 3725 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.15 COC1=C(Br)C=CN=C1 20095 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.15 COC1=C(Br)C=CN=C1 34713 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.15 COC1=C(Br)C=NC=C1 6686 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [2,0,0,0,0,0|1,1,0]=4 183 B9R1.15 COC1=C(F)C=CC=C1 3473 [2,0,0,0,0,0|1,1,0]=4 184 B9R1.15 COC1=C(I)C=CC=C1 3898 [2,0,0,0,0,0|1,1,0]=4 185 B9R1.15 COC1=C(S)C=CC=C1 6816 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.15 COC1=CC=CC=C1O 26545 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.15 COC1=CC=CN=C1Br 5916 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.15 COC1=NC=CC=C1Br 1180 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.15 CSC1=C(Br)C=CC=C1 10648 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.15 CSC1=C(C)C=CC=C1 10730 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.15 CSC1=C(Cl)C=CC=C1 10643 [2,0,0,0,0,0|1,1,0]=4 192 B9R1.15 CSC1=C(F)C=CC=C1 10638 [2,0,0,0,0,0|1,1,0]=4 193 B9R1.15 CSC1=C(I)C=CC=C1 10668 [2,0,0,0,0,0|1,1,0]=4 194 B9R1.15 CSC1=C(N)C=CC=C1 10633 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.15 CSC1=C(O)C=CC=C1 10666 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.15 ClC1=C(CBr)C=CC=C1 12482 [2,0,0,0,0,0|1,1,0]=4 197 B9R1.15 ClCC1=C(Cl)C=CC=C1 10203 [2,0,0,0,0,0|1,1,0]=4 198 B9R1.15 FC1=C(CBr)C=CC=C1 10383 [2,0,0,0,0,0|1,1,0]=4 199 B9R1.15 FC1=C(CCl)C=CC=C1 2094 [2,0,0,0,0,0|1,1,0]=4 200 B9R1.15 N#CC1=C(Br)C=CC=C1 3744 [2,0,0,0,0,0|0,0,2]=4 201 B9R1.15 NC1=C(CO)C=CC=C1 7478 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.15 NCC1=C(Br)C=CC=C1 20398 [2,0,0,0,0,0|0,0,0]=2 203 B9R1.15 NCC1=C(Br)C=CC=C1 3749 [2,0,0,0,0,0|0,0,0]=2 204 B9R1.15 NCC1=C(Cl)C=CC=C1 5800 [2,0,0,0,0,0|0,1,0]=3 205 B9R1.15 NCC1=C(Cl)C=CC=C1 6155 [2,0,0,0,0,0|0,1,0]=3 206 B9R1.15 NCC1=C(F)C=CC=C1 4415 [2,0,0,0,0,0|0,1,0]=3 207 B9R1.15 NCC1=C(N)C=CC=C1 23363 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.15 NCC1=C(O)C=CC=C1 7383 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.15 NCC1=CC=CN=C1Cl 17749 [2,0,0,0,0,0|1,1,0]=4 210 B9R1.15 NCC1=NC=CC=C1O 34602 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.15 NNC1=C(Br)C=CC=C1 4463 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.15 NNC1=C(Cl)C=CC=C1 4482 [2,0,0,0,0,0|1,1,0]=4 213 B9R1.15 NNC1=C(F)C=CC=C1 3347 [2,0,0,0,0,0|1,1,0]=4 214 B9R1.15 NNC1=C(F)C=CC=C1 3350 [2,0,0,0,0,0|1,1,0]=4 215 B9R1.15 O=CC1=C(Br)C=CC=C1 3727 [2,0,0,0,0,0|1,0,1]=4 216 B9R1.15 OCC1=C(Br)C=CC=C1 3746 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.15 OCC1=C(Cl)C=CC=C1 3625 [2,0,0,0,0,0|1,1,0]=4 218 B9R1.15 OCC1=C(F)C=CC=C1 3485 [2,0,0,0,0,0|1,1,0]=4 219 B9R1.15 OCC1=C(O)C=CC=C1 21869 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.15 SCC1=C(Cl)C=CC=C1 6836 [2,0,0,0,0,0|1,1,0]=4 221 B9R1.15 SCc1ccccc1Br 6847 [2,0,0,0,0,0|1,0,0]=3 222 B11R1.13 CC1=CC=CC(CC#N)=C1Br 31539 [1,1,0,0,0,0|0,0,2]=4 223 B11R1.13 CCOC1=C(F)C(F)=CC=C1 2326 [1,1,0,0,0,0|1,1,0]=4 224 B11R1.13 CCOC1=CC=CC(Br)=C1I 19689 [1,1,0,0,0,0|1,1,0]=4 225 B11R1.13 OCCC1=C(Cl)C(Cl)=CC=C1 31585 [1,1,0,0,0,0|1,1,0]=4 226 B11R1.41 CCOC1=C(C#N)C=CC=C1 4773 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.41 CCOC1=C(C=O)C=CC=C1 9726 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.41 CCOC1=C(CN)C=CC=C1 7400 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.41 CCOC1=C(OC)C=CC=C1 3067 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.41 COC1=C(CCN)C=CC=C1 23973 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.41 COC1=C(CCO)C=CC=C1 24377 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.41 O=CC1=C(CCBr)C=CC=C1 19638 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.81 CCCC1=C(O)C=C(O)C=C1 25562 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.81 CCOC1=C(Cl)C=C(Cl)C=C1 9513 [1,1,0,0,0,0|1,1,0]=4 235 B11R1.81 CCOC1=C(Cl)C=C(F)C=C1 3155 [1,1,0,0,0,0|1,1,0]=4 236 B11R1.81 CCOC1=C(F)C=C(Cl)C=C1 3163 [1,1,0,0,0,0|1,1,0]=4 237 B11R1.81 CCOC1=C(N)C=C(N)C=C1 3168 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.81 CCOC1=NC=C(Br)C=C1Br 6231 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 22904 [1,1,0,0,0,0|0,1,0]=3 240 B11R1.81 COCC1=C(N)C=C(Br)C=C1 31052 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.81 N#CCC1=C(Br)C=C(Br)C=C1 28860 [1,1,0,0,0,0|0,0,2]=4 242 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 16802 [1,1,0,0,0,0|0,0,2]=4 243 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 31586 [1,1,0,0,0,0|1,1,0]=4 244 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [1,1,0,0,0,0|0,0,1]=3 245 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [1,1,0,0,0,0|0,1,1]=4 246 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [1,1,0,0,0,0|0,1,1]=4 247 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 3828 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.86 CC(C)OC1=C(O)C=CC=C1 13205 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.86 CC(C)OC1=NC=CC=C1Br 6576 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.86 CC(C)SC1=C(N)C=CC=C1 31985 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 25489 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 14267 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 1919 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 3157 [1,1,0,0,0,0|1,1,0]=4 258 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 3166 [1,1,0,0,0,0|1,1,0]=4 259 B11R1.182 N#CCC1=C(Br)C=CC(Br)=C1 31455 [1,1,0,0,0,0|0,0,2]=4 260 B11R1.182 N#CCC1=C(Br)C=CC(Cl)=C1 28845 [1,1,0,0,0,0|0,0,2]=4 261 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 19917 [1,1,0,0,0,0|0,1,1]=4 262 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 21422 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.222 CCC(O)C1=C(F)C=CC=C1 19915 [1,1,0,0,0,0|0,1,0]=3 265 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 3956 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 29248 [1,1,0,0,0,0|0,1,1]=4 267 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 29130 [1,1,0,0,0,0|0,1,1]=4 268 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 19367 [1,1,0,0,0,0|0,1,0]=3 269 B11R1.222 NC[C@@H](O)C1=C(Cl)C=CC=C1 19368 [1,1,0,0,0,0|0,1,0]=3 270 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 3742 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 16150 [1,1,0,0,0,0|1,1,0]=4 272 B11R1.605 CCCC1=C(O)C=CC=C1O 19795 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.605 N#CCC1=C(Br)C=CC=C1Br 31484 [1,1,0,0,0,0|0,0,2]=4 274 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.1 CCCCC1=CC=C(N)C=N1 26081 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [1,1,0,0,0,0|0,0,0]=2 280 B11R1.1 COCCc1ccc(O)cc1 27303 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.1 ClC1=CC=C(CCCBr)C=C1 25685 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 23877 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.1 N#CCCC1=CC=C(Br)C=C1 20432 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.1 N#CCCC1=CC=C(O)C=C1 13636 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.1 NCCCC1=CC=C(O)C=C1 35658 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [1,1,0,0,0,0|0,0,1]=3 294 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.24 OCCCC1=CC(Cl)=CC=C1 3101 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.28 CCCCCC1=CC=CC=C1 16788 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.28 CCCCOC1=CC=CC=C1 12529 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.28 N#CCCNC1=CC=CC=C1 2335 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.28 N#CCNCC1=CC=CC=C1 27728 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.28 O=C=NCCC1=CC=CC=C1 12396 [1,1,0,0,0,0|0,0,2]=4 308 B11R1.28 OCCCCC1=CC=CC=C1 3100 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.28 OCCCCC1=CC=NC=C1 19155 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.28 OCCNCC1=CC=CC=C1 12960 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.28 OCCOCC1=CC=CC=C1 1939 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.28 OCCSCC1=CC=CC=C1 10801 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.91 OB(O)CCc1ccccc1 14049 [1,1,0,0,0,0|2,0,0]=4 329 B13R1.16 CCCCOC1=C(F)C(F)=CC=C1 15526 [0,2,0,0,0,0|1,1,0]=4 330 B13R1.84 CNCCOC1=C(OC)C=CC=C1 31846 [0,2,0,0,0,0|1,0,0]=3 331 B13R1.90 CN(C)CCc1ccccc1CO 20708 [0,2,0,0,0,0|1,0,0]=3 332 B13R1.91 CNC(C)CC1=C(OC)C=CC=C1 23372 [0,2,0,0,0,0|1,0,0]=3 333 B13R1.91 CNC(C)CC1=C(OC)C=CC=C1 23390 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.201 CC(C)CC(=O)C1=C(Br)C=CC=C1 25704 [0,2,0,0,0,0|1,0,1]=4 335 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 17332 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 30245 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.201 N[C@H](CC(=O)O)C1=C(Br)C=CC=C1 30201 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 18007 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.202 N[C@H](CC1=C(Br)C=CC=C1)C(=O)O 17997 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 28882 [0,2,0,0,0,0|1,0,0]=3 341 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 16180 [0,2,0,0,0,0|1,0,1]=4 342 B13R1.2872 COC(=O)CC1=C(Br)C=CC(Cl)=C1 31511 [0,2,0,0,0,0|1,0,1]=4 343 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [1,0,0,1,0,0|1,0,1]=4 344 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [1,0,0,1,0,0|1,0,0]=3 345 B11R2.10 CN1C=C2C=CC=CC2=N1 15667 [1,0,0,1,0,0|1,0,1]=4 346 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [1,0,0,1,0,0|1,0,0]=3 347 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [1,0,0,1,0,0|2,0,0]=4 348 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [1,0,0,1,0,0|2,0,0]=4 349 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [1,0,0,1,0,0|2,0,0]=4 350 B11R2.20 C1=CC2=C(C=C1)OCCN2 22677 [1,0,0,1,0,0|2,0,0]=4 351 B11R2.20 C1=CC2=C(C=C1)OCCO2 9750 [1,0,0,1,0,0|2,0,0]=4 352 B11R2.20 C1=CC2=C(CCCC2)N=C1 5891 [1,0,0,1,0,0|2,0,0]=4 353 B11R2.20 C1=CC2=C(CCNC2)N=C1 15462 [1,0,0,1,0,0|2,0,0]=4 354 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [1,0,0,1,0,0|1,0,0]=3 355 B11R2.20 C1=CC=C2NCCCC2=C1 7513 [1,0,0,1,0,0|1,0,0]=3 356 B11R2.20 C1=CN=C2CCCOC2=C1 27198 [1,0,0,1,0,0|2,0,0]=4 357 B11R2.20 C1=NC=C2CCCNC2=C1 27821 [1,0,0,1,0,0|2,0,0]=4 358 B11R2.106 BrC1=C2C=CNC2=CC=C1 7449 [1,0,0,1,0,0|0,0,2]=4 359 B11R2.106 BrC1=C2C=NNC2=CC=C1 7834 [1,0,0,1,0,0|1,0,1]=4 360 B11R2.106 BrC1=C2CCCC2=CC=C1 26432 [1,0,0,1,0,0|0,0,0]=2 361 B11R2.106 BrC1=C2CCNC2=CC=C1 27757 [1,0,0,1,0,0|0,0,0]=2 362 B11R2.106 BrC1=C2CNCC2=CC=C1 14849 [1,0,0,1,0,0|0,0,0]=2 363 B11R2.106 BrC1=C2CNCC2=CC=C1 34251 [1,0,0,1,0,0|0,0,0]=2 364 B11R2.106 BrC1=CC=CC2=C1OCC2 34424 [1,0,0,1,0,0|1,0,0]=3 365 B11R2.106 BrC1=CC=CC2=C1OCO2 32045 [1,0,0,1,0,0|2,0,0]=4 366 B11R2.106 CC1=C2NCCC2=CC=C1 8319 [1,0,0,1,0,0|2,0,0]=4 367 B11R2.106 ClC1=C2CCCC2=NC=C1 26170 [1,0,0,1,0,0|1,1,0]=4 368 B11R2.106 ClC1=C2CCNC2=CC=C1 7324 [1,0,0,1,0,0|0,1,0]=3 369 B11R2.106 ClC1=C2CNCC2=CC=C1 18080 [1,0,0,1,0,0|0,1,0]=3 370 B11R2.106 ClC1=C2CNCC2=CC=C1 18082 [1,0,0,1,0,0|0,1,0]=3 371 B11R2.106 ClC1=NC=CC2=C1CCN2 15464 [1,0,0,1,0,0|1,1,0]=4 372 B11R2.106 FC1=C2CCNC2=CC=C1 16911 [1,0,0,1,0,0|0,1,0]=3 373 B11R2.106 Fc1cccc2c1CNC2 17379 [1,0,0,1,0,0|0,1,0]=3 374 B11R2.106 NC1=CC=CC2=C1CCN2 25090 [1,0,0,1,0,0|1,0,0]=3 375 B11R2.106 NC1=CC=CC2=C1CNC2 18061 [1,0,0,1,0,0|1,0,0]=3 376 B11R2.106 NC1=CC=CC2=C1CNC2 22063 [1,0,0,1,0,0|1,0,0]=3 377 B11R2.106 NC1=CC=CC2=C1CNC2 33256 [1,0,0,1,0,0|1,0,0]=3 378 B11R2.106 OC1=CC=CC2=C1CCC2 24129 [1,0,0,1,0,0|1,0,0]=3 379 B11R2.106 OC1=CC=CC2=C1CCN2 25096 [1,0,0,1,0,0|1,0,0]=3 380 B11R2.106 OC1=CC=CC2=C1CNC2 17684 [1,0,0,1,0,0|1,0,0]=3 381 B11R2.106 OC1=CC=CC2=C1CNC2 24314 [1,0,0,1,0,0|1,0,0]=3 382 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [1,0,0,1,0,0|1,0,1]=4 383 B11R2.1 CC1CNC2=CC=CC=C21 15858 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [1,0,0,1,0,0|0,0,2]=4 385 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [1,0,0,1,0,0|1,0,1]=4 386 B11R2.1 CN1N=NC2=C1C=CC=C2 28190 [1,0,0,1,0,0|2,0,0]=4 387 B11R2.1 NC1CCC2=CC=CC=C21 10981 [1,0,0,1,0,0|2,0,0]=4 388 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.1 N[C@H]1CCc2ccccc21 12577 [1,0,0,1,0,0|2,0,0]=4 390 B11R2.1 N[C@H]1CCc2ccccc21 23853 [1,0,0,1,0,0|2,0,0]=4 391 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [1,0,0,1,0,0|2,0,0]=4 392 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [1,0,0,1,0,0|1,0,0]=3 393 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [1,0,0,1,0,0|2,0,0]=4 394 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [1,0,0,1,0,0|2,0,0]=4 395 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [1,0,0,1,0,0|2,0,0]=4 396 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [1,0,0,1,0,0|0,0,0]=2 397 B11R2.238 C1=CC=C(SC2CC2)C=C1 10736 [1,0,0,1,0,0|2,0,0]=4 398 B13R2.162 NC1=C2CC(O)CCC2=CC=C1 19267 [0,1,0,1,0,0|2,0,0]=4 399 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 17944 [0,1,0,1,0,0|1,0,1]=4 400 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 27598 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.45 CCC1CC2=CC=CC=C2C1=O 5351 [0,1,0,1,0,0|2,0,0]=4 402 B13R2.57 OCC1CCC2=CC=CC=C2O1 17676 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 17236 [0,1,0,1,0,0|1,0,0]=3 404 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 17936 [0,1,0,1,0,0|1,1,0]=4 405 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 17935 [0,1,0,1,0,0|1,1,0]=4 406 B13R2.5179 O=C1CCC2=C(I)C=CC=C2C1 17938 [0,1,0,1,0,0|1,1,0]=4 407 B13R2.5179 O=C1COC2=C(Br)C=CC=C2C1 18173 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.18 BrC1=C(C2OCCO2)C=CC=C1 3729 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.26 CCCC1=CC2=CC=CC=C2C1 5403 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.342 NC1=C2CCNC(=O)C2=CC=C1 27768 [0,1,0,1,0,0|1,0,1]=4 411 B13R2.342 O=C1CCCC2=C(Br)C=CC=C12 13792 [0,1,0,1,0,0|1,0,1]=4 412 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 17914 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.342 O=C1NCCC2=C(O)C=CC=C12 24135 [0,1,0,1,0,0|1,0,1]=4 414 B13R2.4818 O=C1CCCC2=CC=CC(Br)=C12 17902 [0,1,0,1,0,0|1,0,1]=4 415 B13R2.4825 CC1CC2=C(Br)C=CC=C2C1=O 32280 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.4825 CC1CC2=C(Br)C=CC=C2C1=O 32281 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.3683 C[C@@H]1CCC2=CC(F)=CC=C2N1 17279 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.3683 C[C@H]1CCc2cc(F)ccc2N1 17280 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.5151 O=C1CCC2=C(Br)C=CC(F)=C12 35542 [0,1,0,1,0,0|2,0,0]=4