0 B10R1.4 C=CCC1=C(C)C=CN=C1 DY451588 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.4 C=CCC1=COC=CC1=O DY777394 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.4 CC1=NC=CC=C1CCN DY653840 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.4 CCCC1=CN=CN=C1Cl DY544407 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.4 CCOC1=C(Br)C=CC=C1 DY20149 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.4 CCOC1=C(C)C=CN=C1 DY711121 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.4 CCOC1=C(F)C=CC=C1 DY452620 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.4 CCOC1=C(N)C=NC=C1 DY712177 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.4 CCOC1=CC=CN=C1Br DY712381 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.4 CCOC1=CC=CN=C1Cl DY564873 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.4 CCOC1=NC=CC=C1Br DY452812 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.4 CNCC1=C(Br)C=CC=C1 DY455892 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.4 CNCC1=CC=CN=C1C DY711673 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.4 CNCC1=CC=CN=C1Cl DY610776 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.4 COCC1=C(Br)C=NC=C1 DY714049 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.4 C[n+]1ccccc1\C=N\O DY557475 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.4 N#CCC1=C(Br)C=CC=C1 NO10707 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.4 N#CCC1=C(Cl)C=CC=C1 NO21495 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.4 N#CCC1=C(F)C=CC=C1 NO20772 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.4 N#CCC1=C(N)C=CC=C1 NO20914 [0,0,0,0,0,0|1,0,2]=3 20 B10R1.4 N#CCC1=CC=CN=C1Br DY447479 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.4 N#CCC1=CC=CN=C1Cl NO13165 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.4 N#CCC1=NC=CC=C1Cl DY534597 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.4 NCCC1=C(Br)C=CC=C1 NO15138 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.4 NCCC1=C(F)C=CC=C1 NO14793 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.4 NCCC1=C(N)C=CC=C1 DY584423 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.4 NCCC1=C(N)C=CC=C1 NO15970 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.4 NCCC1=CC=CN=C1Cl DY585655 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.4 NNCC1=C(F)C=CC=C1 NO20134 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.4 O=C=NC1=C(Br)C=CC=C1 DY41031 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 DY789879 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.4 OCCC1=C(Br)C=CC=C1 NO21407 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.4 OCCC1=C(I)C=CC=C1 DY545007 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 DY558525 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 DY794499 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.4 O\N=C\C1=C(F)C=CC=C1 DY106948 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.4 O\N=C\C1=CC=CC=C1O DY581391 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 C#CCC1=CC=CC=C1 DY501873 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.8 CCCC1=CC=CN=C1 NO22402 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 CNCC1=CC=CC=C1 DY10559 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 CNCC1=CC=CC=C1 DY20323 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CNCC1=CC=CC=C1 DY21006 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CNCC1=CC=CN=C1 NO18846 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.8 CNCC1=CC=NC=C1 DY712153 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.8 CNCC1=NC=CC=C1 DY501242 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 CNCC1=NC=CC=C1 DY663671 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 COCC1=NC=CC=C1 NO20909 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 ClCCC1=CC=NC=C1 NO17913 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 ClCCC1=NC=CN=C1 DY585865 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 N#CCC1=CC=CN=C1 NO18407 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.8 N#CCC1=CC=NC=C1 NO20239 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.8 N#CCC1=NC=CC=C1 NO18926 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.8 N#C[Se]C1=CC=CC=C1 DY822031 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.8 NCCC1=CC=CN=C1 NO21892 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 NCCC1=CN=CN=C1 DY693160 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 NCCC1=NC=CC=C1 NO14064 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 NCCC1=NC=CC=N1 DY510693 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 NNCC1=CC=CC=C1 NO11006 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.8 NNCC1=CC=CC=C1 NO12127 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.8 NNCC1=CC=NC=C1 DY518961 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 NNCC1=NC=CC=C1 DY578445 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 NOCC1=CC=CC=C1 NO14063 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 OCCC1=CN=CN=C1 NO12401 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 ONCC1=CC=CC=C1 DY563853 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 ONCC1=CC=CC=C1 NO11753 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.15 BrCC1=C(Br)C=CC=C1 DY20808 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.15 BrCC1=C(Br)C=NC=C1 DY656944 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 BrCC1=C(I)C=CC=C1 DY40561 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.15 C#CC1=C(Cl)C=CC=C1 NO20629 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.15 C#CC1=C(N)C=CC=C1 NO21537 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.15 C#CC1=C(O)C=CC=C1 NO21538 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.15 C=CC1=C(Br)C=CC=C1 NO18853 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.15 C=CC1=C(Cl)C=CC=C1 NO19873 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.15 CC1=C(CBr)C=CC=C1 NO14791 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.15 CC1=C(CBr)C=NC=C1 DY656650 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.15 CC1=C(CBr)C=NC=C1 NO17496 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.15 CC1=C(CN)C=NC=C1 NO20204 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.15 CC1=C(NN)C=CC=C1 DY788973 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.15 CC1=C(NN)C=CC=C1 NO19575 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.15 CC1=CC=CC=C1C=O NO19114 [1,0,0,0,0,0|1,0,1]=3 82 B9R1.15 CC1=CC=CN=C1C#N NO20234 [1,0,0,0,0,0|1,0,2]=4 83 B9R1.15 CC1=CC=CN=C1C=O NO14987 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.15 CC1=CC=CN=C1CCl NO15725 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.15 CC1=CC=CN=C1CO NO19225 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.15 CC1=CC=NC=C1C#N NO22253 [1,0,0,0,0,0|1,0,2]=4 87 B9R1.15 CC1=NC=CC=C1CBr DY520989 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.15 CC1=NC=CC=C1CO NO20145 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.15 CCC1=C(Br)C=CC=C1 NO20980 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.15 CCC1=C(C)C=CC=C1 NO21536 [1,0,0,0,0,0|0,0,0]=1 91 B9R1.15 CCC1=C(I)C=CC=C1 DY534201 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.15 CCC1=C(N)C=NC=C1 DY658535 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.15 CCC1=CC=CN=C1C DY522489 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.15 CCC1=CN=CN=C1Cl DY559413 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.15 CCC1=NC=CN=C1Cl NO21430 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.15 CCC1=NC=NC=C1F NO19573 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.15 CN1C=CC=C\C1=N\N DY586632 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.15 CNC1=C(Br)C=CC=C1 DY584260 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.15 CNC1=C(F)C=CC=C1 NO13895 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.15 CNC1=C(N)C=NC=C1 DY10330 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.15 CNC1=CC=CC=C1N NO22302 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.15 CNC1=NC=CC=C1Br NO17281 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 COC1=C(Br)C=CC=C1 NO19150 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.15 COC1=C(Br)C=CN=C1 NO14715 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 COC1=C(Br)C=NC=C1 NO18491 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 COC1=C(C)C=CC=C1 DY561483 [1,0,0,0,0,0|1,0,0]=2 107 B9R1.15 COC1=C(Cl)C=CN=C1 DY442708 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.15 COC1=C(F)C=CC=C1 NO19904 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.15 COC1=C(F)C=NC=C1 NO16194 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 COC1=C(I)C=NC=C1 NO18542 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.15 COC1=C(N)C=CC=C1 NO11812 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.15 COC1=C(N)C=CN=C1 NO22564 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.15 COC1=C(N)C=NC=C1 NO18248 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.15 COC1=C(O)C=NC=C1 DY586059 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 COC1=CC=CN=C1Br NO19255 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.15 COC1=CC=CN=C1Cl NO19305 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.15 COC1=CC=CN=C1F NO13044 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.15 COC1=CC=CN=C1N NO17216 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.15 COC1=NC=CC=C1Br DY715700 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.15 COC1=NC=CC=C1Br NO19258 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.15 COC1=NC=CC=C1Cl NO18705 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.15 COC1=NC=CC=C1F NO19564 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.15 COC1=NC=CC=C1I NO13512 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.15 COC1=NC=CC=C1N NO19526 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.15 CSC1=CC=CN=C1Cl DY452032 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.15 ClC1=C(CBr)C=CC=C1 NO19190 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.15 ClC1=CC=CN=C1CBr DY116292 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.15 ClCC1=C(Br)C=CC=C1 DY584533 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.15 ClCC1=C(Cl)C=CC=C1 NO19964 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.15 ClCC1=NC=CC=C1Br DY656902 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.15 FC1=C(CBr)C=CC=C1 NO21562 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.15 N#CC1=C(Br)C=CC=C1 DY20182 [1,0,0,0,0,0|1,0,2]=4 133 B9R1.15 N#CC1=C(F)C=CC=C1 NO18285 [1,0,0,0,0,0|1,0,2]=4 134 B9R1.15 N#CC1=C(I)C=CC=C1 NO21883 [1,0,0,0,0,0|1,0,2]=4 135 B9R1.15 N#CC1=C(N)C=CC=C1 NO13393 [1,0,0,0,0,0|1,0,2]=4 136 B9R1.15 N#CC1=C(O)C=CC=C1 NO19191 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.15 NC1=C(C=O)C=CC=C1 DY20756 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.15 NC1=C(CO)C=CC=C1 NO19122 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.15 NC1=NC=CC=C1CO NO13983 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.15 NCC1=C(Br)C=CC=C1 NO19534 [1,0,0,0,0,0|1,0,0]=2 141 B9R1.15 NCC1=C(Br)C=CN=C1 DY651253 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.15 NCC1=C(Br)C=NC=C1 NO17629 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.15 NCC1=C(F)C=CC=C1 DY40826 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.15 NCC1=C(N)C=CC=C1 DY40796 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.15 NCC1=C(N)C=NC=C1 DY574167 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.15 NCC1=C(O)C=CC=C1 NO20889 [1,0,0,0,0,0|1,0,0]=2 147 B9R1.15 NCC1=C(O)C=CN=C1 DY656620 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.15 NCC1=CC=CN=C1F DY538641 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.15 NCC1=NC=CC=C1Br DY713191 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.15 NCC1=NC=CC=C1N DY654384 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.15 NCC1=NC=CN=C1Cl NO14522 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.15 NCC1=NC=CN=C1Cl NO14728 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.15 NNC1=C(Br)C=CC=C1 NO19466 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.15 NNC1=C(Cl)C=CC=C1 NO19478 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.15 NNC1=C(F)C=CC=C1 NO23033 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.15 NNC1=CC=CN=C1Br DY715022 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.15 NNC1=NC=CC=C1Cl NO20171 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.15 O=CC1=C(F)C=CC=C1 DY794301 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.15 O=CC1=C(F)C=CC=C1 NO21560 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.15 O=CC1=C(I)C=CC=C1 NO20131 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.15 O=CC1=C(O)C=CC=C1 DY41121 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.15 OCC1=C(Br)C=CC=C1 NO18828 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.15 OCC1=C(Br)C=NC=C1 NO12881 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.15 OCC1=C(Cl)C=CC=C1 NO21494 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.15 OCC1=C(Cl)C=CN=C1 NO17105 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.15 OCC1=C(F)C=NC=C1 DY452008 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.15 OCC1=C(I)C=CC=C1 NO19102 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.15 OCC1=C(O)C=CC=C1 NO16243 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.15 OCC1=CC=CN=C1Cl NO14328 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.15 OCC1=CC=CN=C1F NO18697 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.15 OCC1=NC=CC=C1Cl NO17318 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.15 OCC1=NC=CC=C1O DY20200 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.13 CC1=C(CC#N)C=CC=C1Br DY584724 [0,1,0,0,0,0|0,0,2]=3 174 B11R1.13 CC1=C(CC#N)C=CC=C1F DY585162 [0,1,0,0,0,0|0,0,2]=3 175 B11R1.13 CC1=C(CC#N)C=CC=C1I DY584865 [0,1,0,0,0,0|0,0,2]=3 176 B11R1.13 CC1=C(Cl)C=CC=C1N=C=S DY20564 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.13 CC1=CC=CC(CC#N)=C1Br DY584581 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.13 CNCC1=C(Cl)C(Cl)=CC=C1 NO20112 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.13 CNCC1=C(F)C(Cl)=CC=C1 DY516897 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.13 N#CCC1=C(Br)C(Cl)=CC=C1 DY584930 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.13 N#CCC1=C(Cl)C(Cl)=CC=C1 NO18973 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.17 C=CCCC1=C(Br)C=NC=C1 DY431688 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 DY607155 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.17 CC1=C(OCC#N)C=CC=C1 NO14720 [0,1,0,0,0,0|0,0,2]=3 185 B11R1.17 CC1=C(OCCN)C=CC=C1 DY605519 [0,1,0,0,0,0|0,0,0]=1 186 B11R1.17 CCCOC1=C(O)C=CC=C1 DY20673 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.17 N#CCCN1C=CC=CC1=O DY656416 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.17 NC1=CC=CN=C1NCCO DY653310 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.17 OCCCC1=C(O)C=CC=C1 DY791619 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.41 C#CC1=C(OCC)C=CC=C1 DY789147 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.41 CNCC1=C(OC)C=CC=C1 DY584503 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.41 COC1=C(CCO)C=CC=C1 NO15749 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.41 COC1=C(CNN)C=CC=C1 DY610863 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.41 COC1=NC=CC=C1CC#N DY653828 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.41 COCC1=CC=CN=C1CCl DY714212 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.41 N#CC1=C(CON)C=CC=C1 DY574887 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.81 CC1=C(N=C=O)C=CC(Cl)=C1 DY794829 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.81 CCOC1=C(C)C=C(O)C=N1 DY715682 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.81 CCOC1=C(C)N=C(N)C=C1 NO10572 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.81 CCOC1=C(N)C=C(C)C=C1 DY584348 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.81 CCOC1=C(O)C=C(Cl)C=C1 DY451090 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 DY822069 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.81 N#CCC1=C(Br)C=C(Cl)C=C1 DY40754 [0,1,0,0,0,0|1,0,2]=4 204 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 NO13698 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.81 N#CCC1=C(Cl)C=C(Cl)C=C1 NO15393 [0,1,0,0,0,0|1,0,2]=4 206 B11R1.81 N#CCC1=C(Cl)C=C(F)C=C1 NO20640 [0,1,0,0,0,0|1,0,2]=4 207 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 NO22644 [0,1,0,0,0,0|1,0,2]=4 208 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 NO10683 [0,1,0,0,0,0|1,0,2]=4 209 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 DY557865 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 DY584702 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 DY10294 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 DY10318 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 DY744961 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.86 CC(C)OC1=C(F)C=CC=C1 DY453190 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.86 CC(C)OC1=C(N)C=CC=C1 NO13469 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.86 CC(N)CC1=C(Cl)C=CC=C1 DY550599 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 NO21083 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 DY563439 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 DY789621 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 DY822040 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 NO20995 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 NO20809 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 NO20826 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 NO20849 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 NO20941 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.182 CC1=C(CC#N)C=C(Br)C=C1 DY584752 [0,1,0,0,0,0|0,0,2]=3 227 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 NO19339 [0,1,0,0,0,0|0,0,2]=3 228 B11R1.182 CC1=C(NC=O)C=C(F)C=C1 DY789909 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 NO21152 [0,1,0,0,0,0|0,0,2]=3 230 B11R1.182 CC1=CC(CCO)=C(C)C=C1 DY40742 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.182 CC1=CC(CNN)=C(C)C=C1 DY519153 [0,1,0,0,0,0|1,0,0]=2 232 B11R1.182 CC1=NN(CCN)C(=O)C=C1 DY549939 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.182 CCOC1=C(Br)C=CC(C)=C1 DY451888 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 NO20424 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.182 CNCC1=C(F)C=CC(F)=C1 DY456646 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.182 N#CCC1=C(Br)C=CC(Br)=C1 DY585001 [0,1,0,0,0,0|1,0,2]=4 237 B11R1.182 N#CCC1=C(Cl)C=CC(Cl)=C1 NO18974 [0,1,0,0,0,0|1,0,2]=4 238 B11R1.182 N#CCC1=C(F)C=CC(Br)=C1 NO16321 [0,1,0,0,0,0|1,0,2]=4 239 B11R1.182 NCCC1=C(Br)C=CC(Cl)=C1 DY522951 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 DY795369 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 NO15813 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.222 CCC(C)C1=C(N)C=CC=C1 NO21765 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 NO14530 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 NO15388 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 DY746437 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.222 O=C(CBr)C1=C(Br)C=CC=C1 DY795819 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 NO14555 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.605 CC1=CC=CC(C)=C1CC#N DY584747 [0,1,0,0,0,0|0,0,2]=3 249 B11R1.605 CC1=CC=CC(C)=C1N=C=O DY584542 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.605 CNCC1=C(Cl)C=CC=C1F DY456652 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.605 N#CCC1=C(Br)C=CC=C1Br NO15982 [0,1,0,0,0,0|1,0,2]=4 252 B11R1.605 N#CCC1=C(Br)C=CC=C1Cl DY107158 [0,1,0,0,0,0|1,0,2]=4 253 B11R1.605 N#CCC1=C(Br)C=CC=C1F DY584853 [0,1,0,0,0,0|1,0,2]=4 254 B11R1.605 N#CCC1=C(Cl)C=CC=C1Cl NO10675 [0,1,0,0,0,0|1,0,2]=4 255 B11R1.605 N#CCC1=C(Cl)C=CC=C1F NO10682 [0,1,0,0,0,0|1,0,2]=4 256 B11R1.605 N#CCC1=C(F)C=CC=C1F NO10684 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.605 NCCC1=C(F)C=CC=C1F DY822024 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.605 OCCC1=C(Cl)C=CC=C1F DY40736 [0,1,0,0,0,0|2,0,0]=3 259 B11R2.10 BrC1=CC2=CC=CC=C2C1 NO21490 [0,0,0,1,0,0|1,0,2]=4 260 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 DY541863 [0,0,0,1,0,0|2,0,0]=3 261 B11R2.10 ClC1CC2=CC=CC=C2C1 DY686677 [0,0,0,1,0,0|1,0,0]=2 262 B11R2.10 NC1=NC2=C(C=CC=C2)N1 NO16315 [0,0,0,1,0,0|2,0,1]=4 263 B11R2.10 O=C1CC2=C(C=CC=C2)O1 DY20944 [0,0,0,1,0,0|2,0,1]=4 264 B11R2.10 O=C1CC2=CC=CC=C2C1 NO16080 [0,0,0,1,0,0|1,0,1]=3 265 B11R2.10 O=C1CC2=CC=CC=C2N1 NO15184 [0,0,0,1,0,0|2,0,1]=4 266 B11R2.10 OC1CC2=CC=CC=C2C1 NO21608 [0,0,0,1,0,0|1,0,0]=2 267 B11R2.20 C1=CC2=C(C=C1)SCCN2 DY459726 [0,0,0,1,0,0|3,0,0]=4 268 B11R2.20 C1=CC2=C(CCCC2)N=C1 NO13407 [0,0,0,1,0,0|2,0,0]=3 269 B11R2.20 C1=CC2=C(CCNC2)N=C1 NO14841 [0,0,0,1,0,0|1,0,0]=2 270 B11R2.20 C1=CC=C2CNCCC2=C1 NO19412 [0,0,0,1,0,0|0,0,0]=1 271 B11R2.20 C1=CC=C2COCCC2=C1 NO19933 [0,0,0,1,0,0|1,0,0]=2 272 B11R2.20 C1=CC=C2NCCNC2=C1 NO19000 [0,0,0,1,0,0|3,0,0]=4 273 B11R2.20 C1=CN=C2NCCCC2=C1 NO20465 [0,0,0,1,0,0|3,0,0]=4 274 B11R2.20 C1=NC2=C(CCCC2)N=C1 NO14173 [0,0,0,1,0,0|3,0,0]=4 275 B11R2.20 C1=NC=C2CCCNC2=C1 DY105356 [0,0,0,1,0,0|3,0,0]=4 276 B11R2.20 C1=NC=C2CCNCC2=C1 NO15863 [0,0,0,1,0,0|1,0,0]=2 277 B11R2.20 C1=NC=C2CNCCC2=C1 DY113298 [0,0,0,1,0,0|1,0,0]=2 278 B11R2.20 C1=NC=C2CNCCC2=C1 NO17812 [0,0,0,1,0,0|1,0,0]=2 279 B11R2.20 C1=NC=NC2=C1CCCC2 DY447449 [0,0,0,1,0,0|3,0,0]=4 280 B11R2.20 C1=NC=NC2=C1CNCC2 NO11914 [0,0,0,1,0,0|2,0,0]=3 281 B11R2.20 C1=NC=NC2=C1CNCC2 NO15273 [0,0,0,1,0,0|2,0,0]=3 282 B11R2.55 BrC1=NC=CC=C1C2CC2 NO16928 [0,0,0,1,0,0|3,0,0]=4 283 B11R2.55 FC1=NC=CC=C1C2CC2 DY451828 [0,0,0,1,0,0|3,0,0]=4 284 B11R2.55 NC1=C(C2CC2)C=NC=C1 NO17282 [0,0,0,1,0,0|3,0,0]=4 285 B11R2.55 OC1=C(C2CC2)C=CC=C1 DY757459 [0,0,0,1,0,0|2,0,0]=3 286 B11R2.106 BrC1=C2C=CNC2=CC=C1 NO20686 [0,0,0,1,0,0|1,0,2]=4 287 B11R2.106 BrC1=C2C=NNC2=CC=C1 NO18090 [0,0,0,1,0,0|2,0,1]=4 288 B11R2.106 BrC1=C2CCCC2=CC=C1 NO16754 [0,0,0,1,0,0|2,0,0]=3 289 B11R2.106 BrC1=C2CCNC2=CC=C1 NO18513 [0,0,0,1,0,0|1,0,0]=2 290 B11R2.106 BrC1=C2CNCC2=CC=C1 NO22684 [0,0,0,1,0,0|3,0,0]=4 291 B11R2.106 BrC1=CC=CC2=C1N=CN2 NO12099 [0,0,0,1,0,0|2,0,1]=4 292 B11R2.106 BrC1=CC=CC2=C1OCC2 NO12983 [0,0,0,1,0,0|3,0,0]=4 293 B11R2.106 BrC1=CC=CC2=C1OCO2 NO22623 [0,0,0,1,0,0|3,0,0]=4 294 B11R2.106 CC1=C2C=CNC2=CC=C1 NO21706 [0,0,0,1,0,0|0,0,2]=3 295 B11R2.106 CC1=C2C=NNC2=CC=C1 NO22943 [0,0,0,1,0,0|1,0,1]=3 296 B11R2.106 CC1=C2CNCC2=CC=C1 NO17946 [0,0,0,1,0,0|2,0,0]=3 297 B11R2.106 CC1=C2NC=CC2=CC=C1 NO11034 [0,0,0,1,0,0|2,0,1]=4 298 B11R2.106 CC1=C2NCCC2=CC=C1 NO18412 [0,0,0,1,0,0|2,0,0]=3 299 B11R2.106 CC1=C2NN=CC2=CC=C1 NO10824 [0,0,0,1,0,0|3,0,0]=4 300 B11R2.106 CC1=CC=CC2=C1C=CO2 DY751237 [0,0,0,1,0,0|1,0,2]=4 301 B11R2.106 CC1=CC=CC2=C1SC=C2 DY441270 [0,0,0,1,0,0|2,0,1]=4 302 B11R2.106 CC1=CC=CC2=NCCN12 DY760358 [0,0,0,1,0,0|1,0,1]=3 303 B11R2.106 ClC1=C2C=CNC2=CC=C1 NO10725 [0,0,0,1,0,0|1,0,2]=4 304 B11R2.106 ClC1=C2C=NNC2=CC=C1 NO22715 [0,0,0,1,0,0|2,0,1]=4 305 B11R2.106 ClC1=C2CCCC2=NC=C1 NO12915 [0,0,0,1,0,0|3,0,0]=4 306 B11R2.106 ClC1=C2CCNC2=CC=C1 NO10845 [0,0,0,1,0,0|1,0,0]=2 307 B11R2.106 ClC1=C2CCNC2=CN=C1 DY585263 [0,0,0,1,0,0|2,0,0]=3 308 B11R2.106 ClC1=C2CNCC2=CC=C1 DY630146 [0,0,0,1,0,0|3,0,0]=4 309 B11R2.106 ClC1=C2CNCC2=CC=C1 NO15338 [0,0,0,1,0,0|3,0,0]=4 310 B11R2.106 ClC1=NC=NC2=C1CCN2 NO12360 [0,0,0,1,0,0|3,0,0]=4 311 B11R2.106 FC1=C2C=CNC2=CC=C1 NO10745 [0,0,0,1,0,0|1,0,2]=4 312 B11R2.106 FC1=C2CCNC2=CC=C1 DY433917 [0,0,0,1,0,0|1,0,0]=2 313 B11R2.106 FC1=C2CNCC2=CC=C1 DY430022 [0,0,0,1,0,0|3,0,0]=4 314 B11R2.106 FC1=C2CNCC2=CC=C1 DY580305 [0,0,0,1,0,0|3,0,0]=4 315 B11R2.106 IC1=C2CCNC2=CC=C1 DY630170 [0,0,0,1,0,0|1,0,0]=2 316 B11R2.106 IC1=CC=CC2=C1OCO2 NO12923 [0,0,0,1,0,0|3,0,0]=4 317 B11R2.106 NC1=C2C=CNC2=CC=C1 NO20916 [0,0,0,1,0,0|1,0,2]=4 318 B11R2.106 NC1=CC=CC2=C1C=NN2 NO20710 [0,0,0,1,0,0|2,0,1]=4 319 B11R2.106 NC1=CC=CC2=C1CCN2 NO11498 [0,0,0,1,0,0|1,0,0]=2 320 B11R2.106 O=C1C=CC=C2NCCN12 NO15111 [0,0,0,1,0,0|2,0,0]=3 321 B11R2.106 O=C1C=CC=C2NCCN12 NO17486 [0,0,0,1,0,0|2,0,0]=3 322 B11R2.106 OC1=CC=CC2=C1C=CN2 NO10821 [0,0,0,1,0,0|1,0,2]=4 323 B11R2.106 OC1=CC=CC2=C1CCC2 NO22898 [0,0,0,1,0,0|2,0,0]=3 324 B11R2.106 OC1=CC=CC2=C1N=CN2 DY750115 [0,0,0,1,0,0|2,0,1]=4 325 B11R2.106 OC1=CC=NC2=C1CCN2 DY534099 [0,0,0,1,0,0|2,0,0]=3 326 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 DY579003 [0,0,0,1,0,0|3,0,0]=4 327 B9R1.33 CC1=C(CCO)SC=N1 NO19563 [0,0,0,0,1,0|3,0,0]=4 328 B9R1.33 CC1=CN=CN1CCN DY725977 [0,0,0,0,1,0|2,0,0]=3 329 B9R1.33 CC1=NC=CN1CCBr DY610893 [0,0,0,0,1,0|3,0,0]=4 330 B9R1.33 CN1C=CC=C1CCO DY106498 [0,0,0,0,1,0|2,0,0]=3 331 B9R1.33 CN1C=CN=C1CCO DY606807 [0,0,0,0,1,0|3,0,0]=4 332 B9R1.33 CN1C=CN=C1CNN DY725419 [0,0,0,0,1,0|3,0,0]=4 333 B8R1.2 BrCC1=CC=NC=C1 NO22459 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.2 C#CC1=CC=CC=C1 NO19127 [2,0,0,0,0,0|0,0,2]=4 335 B8R1.2 CCC1=CC=CN=C1 NO22277 [2,0,0,0,0,0|1,0,0]=3 336 B8R1.2 CCC1=NC=CN=C1 NO21534 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.2 CNC1=CC=CC=C1 NO11792 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.2 CNC1=CC=CN=C1 NO13856 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 COC1=CC=CN=C1 NO22348 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 COC1=CC=NC=C1 NO19206 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 COC1=CC=[C-]C=C1 DY747109 [2,0,0,0,0,0|1,0,1]=4 342 B8R1.2 COC1=NC=CC=C1 NO18780 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 ClCC1=CC=CN=C1 NO19291 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 ClCC1=NC=CC=C1 NO19289 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 ClSC1=CC=CC=C1 DY799077 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 ICC1=CC=CC=C1 NO11000 [2,0,0,0,0,0|1,0,0]=3 347 B8R1.2 N#Cc1ccccc1 NO13696 [2,0,0,0,0,0|0,0,2]=4 348 B8R1.2 NCC1=CC=CN=C1 NO14226 [2,0,0,0,0,0|1,0,0]=3 349 B8R1.2 NCC1=CC=NC=C1 NO11906 [2,0,0,0,0,0|1,0,0]=3 350 B8R1.2 NCC1=CC=NC=C1 NO19023 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.2 NCC1=CN=NC=C1 NO15014 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.2 NCC1=CN=NC=C1 NO15515 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.2 NCC1=NC=CC=C1 DY663911 [2,0,0,0,0,0|1,0,0]=3 354 B8R1.2 NCC1=NC=CC=N1 NO21304 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.2 NCC1=NC=CN=C1 DY710323 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.2 NCC1=NC=CN=C1 NO19691 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.2 NCC1=NC=CN=C1 NO20245 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.2 NNC1=CC=CC=C1 NO15210 [2,0,0,0,0,0|1,0,0]=3 359 B8R1.2 NNC1=CC=CN=C1 NO15491 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.2 NNC1=CC=CN=C1 NO22308 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.2 NNC1=CC=NC=C1 DY20777 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.2 NNC1=NC=CC=C1 NO15589 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.2 NNC1=NC=CC=C1 NO21573 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.2 OCC1=CC=CN=C1 NO22409 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.2 OCC1=CC=NC=C1 NO19163 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.2 OCC1=NC=CC=C1 NO19164 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.5 BrC1=C(I)C=CC=C1 NO19157 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.5 CC1=C(Br)C=CC=C1 DY20187 [2,0,0,0,0,0|1,0,0]=3 369 B8R1.5 CC1=C(Br)C=CN=C1 NO13416 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.5 CC1=C(Br)C=NC=C1 NO21916 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.5 CC1=C(Cl)C=CN=C1 DY460902 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.5 CC1=C(Cl)C=CN=C1 NO18038 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.5 CC1=C(Cl)C=NC=C1 NO15751 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.5 CC1=C(F)C=CC=C1 DY41519 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.5 CC1=C(F)C=NC=C1 NO19332 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.5 CC1=C(I)C=CC=C1 NO19198 [2,0,0,0,0,0|1,0,0]=3 377 B8R1.5 CC1=C(N)C=CN=C1 NO19521 [2,0,0,0,0,0|1,0,0]=3 378 B8R1.5 CC1=C(N)C=NC=C1 NO21907 [2,0,0,0,0,0|1,0,0]=3 379 B8R1.5 CC1=C(O)C=CN=C1 NO13965 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.5 CC1=CC=CC=C1C DY41549 [2,0,0,0,0,0|0,0,0]=2 381 B8R1.5 CC1=CC=CC=C1N NO20592 [2,0,0,0,0,0|0,0,0]=2 382 B8R1.5 CC1=CC=CC=C1O NO11813 [2,0,0,0,0,0|1,0,0]=3 383 B8R1.5 CC1=CC=CN=C1Br NO23002 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.5 CC1=CC=CN=C1C NO21050 [2,0,0,0,0,0|1,0,0]=3 385 B8R1.5 CC1=CC=CN=C1Cl NO13857 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.5 CC1=CC=CN=C1F NO19328 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.5 CC1=CC=CN=C1N NO13775 [2,0,0,0,0,0|1,0,0]=3 388 B8R1.5 CC1=CN=CN=C1N NO12501 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.5 CC1=CNC=CC1=O DY502725 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.5 CC1=NC=CC=C1Br DY20012 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.5 CC1=NC=CC=C1F NO19850 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.5 CC1=NC=CC=C1N NO19518 [2,0,0,0,0,0|1,0,0]=3 393 B8R1.5 CC1=NC=CN=C1C NO10108 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.5 CC1=NC=CN=C1N NO21232 [2,0,0,0,0,0|2,0,0]=4 395 B8R1.5 CC1=NC=NC=C1N NO19908 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.5 C[N+]1=C(Cl)C=CC=C1 NO19467 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.5 ClC1=C(Br)C=CC=C1 NO21391 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.5 FC1=C(Br)C=CC=C1 NO19658 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.5 FC1=C(F)C=CC=C1 NO20490 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.5 NC1=C(Br)C=CC=C1 NO19197 [2,0,0,0,0,0|1,0,0]=3 401 B8R1.5 NC1=C(Br)C=CN=C1 NO13987 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.5 NC1=C(Br)C=NC=C1 NO21968 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.5 NC1=C(Cl)C=CN=C1 NO22737 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.5 NC1=C(Cl)C=NC=C1 NO13897 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.5 NC1=C(F)C=NC=C1 NO13971 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.5 NC1=C(I)C=CC=C1 NO23020 [2,0,0,0,0,0|1,0,0]=3 407 B8R1.5 NC1=C(I)C=CN=C1 NO17808 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.5 NC1=C(I)C=NC=C1 NO18532 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.5 NC1=C(N)C=NC=C1 NO22778 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.5 NC1=C(O)C=CC=C1 NO21309 [2,0,0,0,0,0|1,0,0]=3 411 B8R1.5 NC1=C(O)C=NC=C1 NO14741 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.5 NC1=CC=CN=C1Br NO22729 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.5 NC1=CC=CN=C1Cl NO17686 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.5 NC1=CC=CN=C1F NO22742 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.5 NC1=CC=CN=C1I NO18159 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.5 NC1=CC=CN=C1N NO21785 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.5 NC1=CC=CNC1=O NO15503 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.5 NC1=CC=CNC1=S NO20821 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.5 NC1=NC=CC=C1Br NO17634 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.5 NC1=NC=CC=C1Cl NO17664 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.5 NC1=NC=CC=C1F NO13951 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.5 NC1=NC=CC=C1I NO13464 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.5 NC1=NC=CC=C1O NO22765 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.5 OC1=C(Br)C=CC=C1 NO19429 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.5 OC1=C(I)C=CC=C1 DY20193 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.5 OC1=CC=CC=C1O NO11109 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.5 SC1=C(I)C=CC=C1 DY41410 [2,0,0,0,0,0|2,0,0]=4 428 B10R1.1 BrCCC1=CC=C(Br)C=C1 DY531753 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.1 CC1=CC=C(CC#N)C=C1 NO21709 [1,1,0,0,0,0|0,0,2]=4 430 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.1 CC1=CC=C(CNN)C=C1 NO20201 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.1 CC1=CN=C(CCN)C=C1 DY654264 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.1 CCCC1=CC=C(Br)C=C1 NO10896 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.1 CCNC1=CC=C(C)C=C1 DY822062 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.1 CCNC1=CC=C(Cl)C=C1 DY745663 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.1 CCOC1=CC=C(I)C=C1 NO22907 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.1 CCOC1=CC=C(N)C=C1 NO11879 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.1 CCOC1=CC=C(O)C=C1 DY563859 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.1 CNCC1=CC=C(Br)C=C1 NO19272 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.1 CNCC1=CC=C(Cl)C=C1 DY455886 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.1 CNCC1=CC=C(F)C=C1 DY585104 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.1 ClC1=CC=C(CCBr)C=C1 NO10835 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.1 ClCCC1=CN=C(Cl)C=C1 DY714175 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 FC1=CC=C(CCBr)C=C1 NO10866 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.1 FC1=CC=C(CCCl)C=C1 DY584346 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.1 N#CCC1=CC=C(Br)C=C1 NO20687 [1,1,0,0,0,0|0,0,2]=4 449 B10R1.1 N#CCC1=CC=C(Cl)C=C1 DY20790 [1,1,0,0,0,0|0,0,2]=4 450 B10R1.1 N#CCC1=CC=C(F)C=C1 NO14479 [1,1,0,0,0,0|0,0,2]=4 451 B10R1.1 N#CCC1=CC=C(O)C=C1 DY522681 [1,1,0,0,0,0|0,0,2]=4 452 B10R1.1 NC1=CC=C(CCO)C=C1 NO13450 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.1 NCCC1=CC=C(Br)C=C1 NO19296 [1,1,0,0,0,0|0,0,0]=2 454 B10R1.1 NCCC1=CC=C(F)C=C1 NO13766 [1,1,0,0,0,0|0,0,0]=2 455 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY570291 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY583979 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.1 NNCC1=CC=C(F)C=C1 DY567861 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.1 NNCC1=CC=C(F)C=C1 NO17057 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.1 O=CCC1=CC=C(Br)C=C1 NO18203 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.1 OCCC1=CC=C(Br)C=C1 NO14491 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.1 OCCC1=CC=C(Cl)C=C1 NO22791 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.1 OCCC1=CC=C(Cl)N=C1 DY509192 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.1 OCCC1=CC=C(O)C=C1 NO20458 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.10 CC1=CC(CC#N)=CC=C1 NO18941 [1,1,0,0,0,0|0,0,2]=4 465 B10R1.10 CC1=CC(CCN)=NC=C1 DY713209 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.10 CC1=CC=CC(CNN)=C1 DY514611 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.10 CCCC1=CN=CC(O)=C1 DY660255 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.10 CNCC1=CC(Cl)=CC=C1 DY456640 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.10 CNCC1=CC=CC(N)=C1 DY789483 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.10 Clc1cccc(CCBr)c1 DY584685 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.10 N#CCC1=CC(Br)=CC=C1 NO18969 [1,1,0,0,0,0|0,0,2]=4 473 B10R1.10 N#CCC1=CC(Cl)=CC=C1 NO13745 [1,1,0,0,0,0|0,0,2]=4 474 B10R1.10 N#CCC1=CC(F)=CC=C1 DY20212 [1,1,0,0,0,0|0,0,2]=4 475 B10R1.10 N#CCC1=CC(I)=CC=C1 DY584378 [1,1,0,0,0,0|0,0,2]=4 476 B10R1.10 NC1=CC=CC(CCO)=C1 NO22105 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.10 NC1=CC=CC(CCO)=N1 DY608453 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.10 NCCC1=CC(Br)=CC=C1 NO15159 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.10 NCCC1=NC(Cl)=CC=C1 DY654324 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.10 NCCc1cccc(O)c1 DY552393 [1,1,0,0,0,0|0,0,0]=2 481 B10R1.10 NNCC1=CC(Cl)=CC=C1 DY544953 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.10 NNCC1=CC(O)=CC=C1 DY10382 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.10 OCCC1=CC(Br)=CC=C1 NO22186 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.10 OCCC1=CC(Cl)=CC=C1 NO22241 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.10 OCCC1=NC(Cl)=CC=C1 DY531777 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.15 C#CC(O)C1=CC=CC=C1 DY460116 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 DY565311 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.15 C=C(CBr)C1=CC=CC=C1 NO20091 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.15 CC(CN)C1=CC=CC=C1 DY822021 [1,1,0,0,0,0|0,0,0]=2 490 B10R1.15 CC(NN)C1=CC=CN=C1 DY656338 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.15 CCC(O)C1=CC=CC=C1 DY580677 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.15 CCS(=O)C1=CC=CC=C1 DY746839 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.15 CC[C@H](N)C1=CC=CC=C1 DY20337 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.15 CC[C@H](N)C1=CC=NC=C1 DY623825 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 NO10909 [1,1,0,0,0,0|0,0,0]=2 497 B10R1.15 NC(CO)C1=CC=CC=C1 NO15860 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.15 NC(CO)C1=CC=CN=C1 DY654840 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.15 NC(CO)C1=NC=CC=C1 DY111155 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.15 NC(CO)C1=NC=CC=C1 DY509906 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.15 NCC(=O)C1=CC=CC=C1 NO10874 [1,1,0,0,0,0|0,0,1]=3 502 B10R1.15 NC[C@H](O)C1=CC=CC=C1 NO20485 [1,1,0,0,0,0|0,0,0]=2 503 B10R1.15 NNC(=O)C1=CC=CC=C1 NO10971 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.15 NNC(=S)C1=CC=CC=C1 DY721675 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 NO10553 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.15 N[C@H](CO)C1=CC=CC=C1 NO10555 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.15 N[C@H](CO)C1=NC=CC=C1 DY624391 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.15 O=C(CBr)C1=CC=CC=C1 NO19274 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.15 OC(CBr)C1=CC=CC=C1 NO18840 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.15 OC[C@@H](O)c1ccccc1 DY459384 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 DY608146 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.17 BrCCCC1=CC=CN=C1 DY604503 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.17 CCOCC1=CC=NC=C1 DY657931 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.17 CNCCC1=CC=CC=N1 DY455430 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.17 ClCCCC1=CC=CN=C1 DY656440 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY41818 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY539883 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.17 N#C[Se]CC1=CC=CC=C1 DY822032 [1,1,0,0,0,0|0,0,2]=4 521 B10R1.17 NCCCC1=CC=NC=C1 DY425564 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.17 NCCCC1=NC=CC=N1 DY737570 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.17 NCCNC1=CC=NC=C1 DY657683 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.17 NCCNC1=NC=CC=C1 NO11746 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [1,1,0,0,0,0|0,0,0]=2 526 B10R1.17 NCCOC1=CC=CN=C1 NO16368 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.17 NCCOC1=NC=CN=C1 DY508970 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.17 NNCCc1ccccc1 DY527511 [1,1,0,0,0,0|0,0,0]=2 529 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.17 OCCCC1=CC=NC=C1 NO22019 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.18 CC(C)NC1=CC=CC=C1 NO11787 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.18 CC(N)CC1=NC=CC=C1 DY652737 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.18 N=C(N)CC1=CC=CN=C1 DY610010 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.18 NC(=O)NC1=CC=CC=C1 NO10533 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.18 O=S([O-])CC1=CC=CC=C1 DY745429 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.2 CC1=C(Br)C=CC=C1CBr DY584771 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.2 CC1=C(C#N)C=CC=C1Br NO13130 [1,1,0,0,0,0|0,0,2]=4 541 B10R1.2 CC1=C(C#N)C=CC=C1F NO10738 [1,1,0,0,0,0|0,0,2]=4 542 B10R1.2 CC1=C(C=O)C=CC=C1O NO15258 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.2 CC1=C(CBr)C=CC=C1I DY584958 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.2 CC1=C(CN)C=CC=C1Br DY769683 [1,1,0,0,0,0|0,0,0]=2 545 B10R1.2 CC1=C(CO)C=CC=C1Cl DY452962 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.2 CC1=C(CO)C=CC=C1I DY584812 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.2 CC1=C(CO)C=CC=C1N DY584258 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.2 CC1=CC=CC(C#N)=C1C NO11027 [1,1,0,0,0,0|0,0,2]=4 549 B10R1.2 CC1=CC=CC(C=O)=C1C NO10889 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.2 CC1=CC=CC(CBr)=C1Br DY584774 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.2 CC1=CC=CC(CBr)=C1C NO10894 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.2 CC1=CC=CC(CN)=C1Cl DY584892 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.2 CC1=CC=CC(CN)=C1F DY585032 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.2 CC1=CC=CC(CO)=C1C NO20113 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.2 CC1=CC=CC(CO)=C1F DY451600 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.2 CCC1=C(O)C(C)=CC=C1 DY584282 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.2 COC1=C(Br)C(C)=CC=C1 DY584924 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.2 COC1=C(C)C(C)=CC=C1 DY20206 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.2 COC1=C(Cl)C(C)=CC=C1 DY822113 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.2 COC1=C(F)C(Br)=CC=C1 DY20208 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.2 COC1=C(F)C(Cl)=CC=C1 DY450850 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.2 COC1=C(N)C(N)=CC=C1 NO12559 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.2 COC1=CC=CC(Br)=C1C DY442371 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.2 COC1=CC=CC(Br)=C1I NO14393 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.2 COC1=CC=CC(Br)=C1O DY442834 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.2 COC1=CC=CC(Cl)=C1N NO16113 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.2 COC1=CC=CC(N)=C1Br NO21335 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.2 COC1=CC=CC(N)=C1C NO10556 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.2 COC1=CC=CC(N)=C1Cl NO18618 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.2 COC1=CC=CC(N)=C1F NO12736 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.2 COC1=CC=CC(N)=C1O NO17187 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.2 COC1=CC=CC(O)=C1Cl NO21434 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.2 COC1=CC=CC(O)=C1N NO16742 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.2 COC1=NC=CC(N)=C1C DY655916 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 DY20573 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.2 CSC1=C(F)C(Br)=CC=C1 DY451930 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.2 CSC1=CC=CC(O)=C1F DY451822 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.2 ClC1=C(CBr)C=CC=C1Br DY585014 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.2 ClC1=CC=CC(CBr)=C1Cl NO19151 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.2 FC1=C(CBr)C=CC=C1Cl NO19361 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.2 FC1=C(Cl)C=CC=C1CCl DY584895 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.2 FC1=CC=CC(CBr)=C1Cl NO19380 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.2 FC1=CC=CC(CBr)=C1F NO18619 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.2 NC1=C(CO)C=CC=C1Br DY552981 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.2 NC1=C(CO)C=CC=C1Cl NO14362 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.2 NC1=CC=CC(CO)=C1Cl DY586503 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.2 NC1=CC=CC(CO)=C1F NO12522 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.2 NCC1=C(Br)C(F)=CC=C1 DY686413 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.2 NCC1=C(F)C(Cl)=CC=C1 DY33194 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.2 NNC1=C(Br)C(Cl)=CC=C1 DY584586 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.2 NNC1=C(Cl)C(Cl)=CC=C1 DY541383 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.20 BrCC1=C(CBr)C=CC=C1 DY20537 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.20 C#CC1=C(OC)C=CC=C1 NO21618 [1,1,0,0,0,0|0,0,2]=4 594 B10R1.20 CCC1=C(C=O)C=CC=C1 DY20141 [1,1,0,0,0,0|0,0,1]=3 595 B10R1.20 CCC1=C(CO)C=CC=C1 DY451342 [1,1,0,0,0,0|0,0,0]=2 596 B10R1.20 CCC1=C(NN)C=CC=C1 NO15134 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.20 CNC1=C(C=O)C=CC=C1 NO17054 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.20 CNC1=C(OC)C=CC=C1 DY790233 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.20 COC1=C(CCl)C=CC=C1 DY20247 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.20 COC1=C(CCl)C=CN=C1 DY657907 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.20 COC1=C(CN)C=CC=C1 NO15681 [1,1,0,0,0,0|0,0,0]=2 602 B10R1.20 COC1=C(NN)C=CC=C1 NO19579 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.20 COC1=C(OC)C=CC=C1 NO12067 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.20 COC1=CC=CN=C1CBr NO13321 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.20 COC1=CC=CN=C1CN NO18076 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.20 COC1=CC=CN=C1CO DY558123 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.20 COC1=CC=CN=C1OC NO14783 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.20 COC1=NC=CC=C1CCl DY606789 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.20 COC1=NC=CC=C1CCl NO16832 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.20 COC1=NC=CC=C1CN NO14780 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.20 COC1=NC=CC=C1CN NO17327 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.20 COC1=NC=CC=C1CO NO13650 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.20 ClCC1=C(CCl)C=CC=C1 DY563247 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.20 N#CC1=C(CBr)C=CC=C1 NO18879 [1,1,0,0,0,0|0,0,2]=4 615 B10R1.20 N#CC1=C(CCl)C=CC=C1 NO18396 [1,1,0,0,0,0|0,0,2]=4 616 B10R1.20 N#CC1=C(CN)C=CC=C1 NO15557 [1,1,0,0,0,0|0,0,1]=3 617 B10R1.20 NCC1=C(CO)C=CC=C1 NO13269 [1,1,0,0,0,0|0,0,0]=2 618 B10R1.20 OCC1=C(CBr)C=CC=C1 NO17090 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.20 OCC1=CC=CN=C1CO DY554235 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.20 [C-]#[N+]C1=C(OC)C=CC=C1 DY745507 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.25 CC1=C(C#N)C=CC(Br)=C1 NO10708 [1,1,0,0,0,0|0,0,2]=4 622 B10R1.25 CC1=C(C#N)C=CC(F)=C1 DY20042 [1,1,0,0,0,0|0,0,2]=4 623 B10R1.25 CC1=C(C#N)C=CC(N)=C1 NO16661 [1,1,0,0,0,0|0,0,2]=4 624 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 NO22653 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 NO20823 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.25 CC1=C(C=O)C=CC(F)=C1 NO10809 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.25 CC1=C(C=O)C=CC(O)=C1 NO20933 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 DY584433 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.25 CC1=C(CN)C=NC(Br)=C1 DY715490 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.25 CC1=C(CO)C=CC(O)=C1 DY449770 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.25 CC1=CC(C)=C(C=O)C=C1 NO21114 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.25 CC1=CC(C)=C(CBr)C=C1 NO21116 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.25 CC1=CC(C)=C(CO)C=C1 DY744535 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.25 CC1=CC(C)=C(NN)C=C1 NO20500 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 DY433989 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 NO20405 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.25 CC1=CC(F)=C(CO)C=C1 DY451432 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.25 CC1=CC(F)=CN=C1CN DY651571 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.25 CC1=CC(N)=C(CO)C=C1 NO21019 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.25 CC1=CN=C(CCl)C(C)=C1 NO16524 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.25 CCC1=CN=C(C)C=C1N DY660014 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.25 CCC1=CN=C(C)C=C1N DY711175 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.25 CCN1C=CC(N)=CC1=O DY517107 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.25 CCc1ncc(C)nc1C DY793773 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 NO20168 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.25 COC1=C(Br)C=C(I)C=C1 DY41320 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.25 COC1=C(Br)C=C(N)C=C1 DY20804 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.25 COC1=C(Br)C=C(O)C=C1 NO18795 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.25 COC1=C(C)C=C(Br)C=C1 NO22652 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.25 COC1=C(C)C=C(N)C=C1 NO18714 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.25 COC1=C(C)C=C(N)C=N1 NO15363 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.25 COC1=C(C)C=[N+]([O-])C=C1 DY714488 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.25 COC1=C(Cl)C=C(N)C=C1 NO14858 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.25 COC1=C(F)C=C(C)C=C1 DY452440 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.25 COC1=C(F)C=C(Cl)C=C1 DY584280 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.25 COC1=C(F)C=C(N)C=C1 NO10515 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.25 COC1=C(F)C=C(O)C=C1 NO22287 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.25 COC1=C(I)C=C(Br)C=C1 NO17024 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.25 COC1=C(I)C=C(N)C=C1 NO18915 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.25 COC1=C(I)C=C(N)C=C1 NO19301 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.25 COC1=C(N)C=C(Br)C=C1 NO10268 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.25 COC1=C(N)C=C(C)C=C1 NO13548 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.25 COC1=C(N)C=C(Cl)C=C1 DY745633 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.25 COC1=C(N)C=C(I)C=C1 DY584281 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.25 COC1=C(N)C=C(N)C=C1 NO21066 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.25 COC1=C(O)C=C(C)C=C1 DY442401 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.25 COC1=C(O)C=C(F)C=C1 NO15779 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.25 COC1=NC=C(Br)C=C1C NO17558 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 DY585122 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.25 CSC1=C(Br)C=C(F)C=C1 DY452890 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.25 CSC1=C(C)C=C(O)C=C1 DY20571 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 NO15047 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 NO21097 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.25 ClC1=CC(I)=C(CBr)C=C1 DY584761 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 NO19427 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.25 FC1=C(CCl)C=CC(Cl)=C1 DY585180 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 NO20064 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.25 FC1=CC(F)=C(CBr)C=C1 DY40543 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.25 FC1=CC(F)=C(CCl)C=C1 DY40591 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 DY40814 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 DY585043 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.25 NCC1=C(F)C=C(F)C=C1 NO10473 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.25 NCC1=NC=C(F)C=C1Cl DY651055 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.25 NNC1=C(Cl)C=C(Cl)C=C1 NO23006 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 NO19087 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.25 NNC1=C(Cl)C=C(I)C=C1 NO17119 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.25 NNC1=C(F)C=C(Br)C=C1 NO18334 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.25 NNC1=C(F)C=C(F)C=C1 NO23012 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 NO21073 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.25 OCC1=C(Br)C=C(F)C=C1 DY452398 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.25 OCC1=C(Br)C=C(I)C=C1 DY584784 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.25 OCC1=C(F)C=C(O)C=C1 NO13215 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.25 OCC1=C(O)C=C(Br)C=C1 NO10248 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 DY584787 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 DY584786 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.30 C#CC1=C(C)C=CC(N)=C1 DY103342 [1,1,0,0,0,0|0,0,2]=4 697 B10R1.30 CC1=C(C#N)C=C(Br)C=C1 NO10274 [1,1,0,0,0,0|0,0,2]=4 698 B10R1.30 CC1=C(C#N)C=C(Cl)C=C1 DY40633 [1,1,0,0,0,0|0,0,2]=4 699 B10R1.30 CC1=C(C#N)C=C(N)C=C1 NO10209 [1,1,0,0,0,0|0,0,2]=4 700 B10R1.30 CC1=C(C=O)C=C(Br)C=C1 DY20545 [1,1,0,0,0,0|1,0,1]=4 701 B10R1.30 CC1=C(C=O)C=C(F)C=C1 DY20032 [1,1,0,0,0,0|1,0,1]=4 702 B10R1.30 CC1=C(C=O)C=C(O)C=C1 DY452542 [1,1,0,0,0,0|1,0,1]=4 703 B10R1.30 CC1=C(CCl)C=C(F)C=C1 DY584262 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.30 CC1=C(CO)C=C(F)C=C1 DY452638 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.30 CC1=CC(CBr)=C(C)C=C1 DY584839 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.30 CC1=CC(CN)=C(C)C=C1 DY20405 [1,1,0,0,0,0|0,0,0]=2 707 B10R1.30 CC1=CC(CO)=C(F)C=C1 DY450466 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.30 CC1=CC(NN)=C(C)C=C1 NO20501 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.30 CC1=NC=C(Br)C=C1CN DY656602 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.30 CC1=NC=C(Br)C=C1CO DY518829 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.30 CCC1=NC(C)=CC=C1O NO13984 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.30 CCC1=NC(C)=CN=C1C DY710767 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.30 CCC1=NC(Cl)=NC=C1C DY606669 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.30 CNC1=CC(Br)=CC=C1N NO13254 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.30 COC1=C(Br)C=CC(Br)=C1 NO12737 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.30 COC1=C(Br)C=CC(C)=C1 DY20209 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 NO21371 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.30 COC1=C(Br)C=CC(F)=C1 NO10394 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.30 COC1=C(Br)C=CC(N)=C1 NO18102 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.30 COC1=C(Cl)C=CC(C)=C1 DY456622 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.30 COC1=C(Cl)C=CC(I)=C1 DY20290 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.30 COC1=C(Cl)C=CC(N)=C1 NO22759 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.30 COC1=C(F)C=CC(Br)=C1 NO19804 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.30 COC1=C(F)C=CC(I)=C1 DY571347 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.30 COC1=C(F)C=CC(N)=C1 NO10516 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.30 COC1=C(I)C=CC(Cl)=C1 DY20291 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.30 COC1=C(N)C=CC(Br)=C1 NO19178 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.30 COC1=C(N)C=CC(F)=C1 NO12096 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.30 COC1=C(N)C=CC(I)=C1 DY21014 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.30 COC1=C(N)C=CC(N)=C1 NO21132 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.30 COC1=C(O)C=CC(Br)=C1 NO22682 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.30 COC1=C(O)C=CC(C)=C1 NO16322 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.30 COC1=CC(Cl)=NC=C1C DY655410 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 DY453532 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.30 CSC1=C(Br)C=CC(F)=C1 DY525105 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.30 CSC1=C(C)C=CC(Br)=C1 DY452878 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.30 ClC1=C(CBr)C=C(I)C=C1 DY433851 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 DY40541 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.30 ClCC1=C(Cl)C=CC(Br)=C1 NO16839 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.30 FC1=CC(CBr)=C(Br)C=C1 DY20074 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.30 NC1=C(CO)C=C(Br)C=C1 NO20119 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.30 NCC1=C(Br)C=CC(F)=C1 DY792813 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.30 NCC1=C(Cl)C=CC(Br)=C1 NO12614 [1,1,0,0,0,0|1,0,0]=3 744 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 DY584885 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.30 NCC1=C(F)C=CC(Br)=C1 DY40802 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.30 NCC1=C(F)C=CC(Cl)=C1 NO20282 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.30 NCC1=C(N)C=CC(Br)=C1 NO17921 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.30 NCC1=C(O)C=CC(Br)=C1 NO18138 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.30 NCC1=CC(Br)=NC=C1F DY650797 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.30 NCC1=NC(Cl)=CC=C1Br DY651043 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.30 NCC1=NC(Cl)=CC=C1Cl DY651001 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.30 NNC1=C(Br)C=CC(Br)=C1 NO16988 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.30 NNC1=C(Br)C=CC(F)=C1 DY40989 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.30 NNC1=C(F)C=CC(F)=C1 NO23013 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.30 OCC1=C(Br)C=CC(F)=C1 NO13914 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 NO21464 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.30 OCC1=C(I)C=CC(Br)=C1 DY537399 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.30 OCC1=CC(Br)=CC=C1O NO20280 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 NO18866 [1,1,0,0,0,0|1,0,1]=4 760 B10R1.61 CC(=O)C1=C(C)C=CC=C1 NO19710 [1,1,0,0,0,0|0,0,1]=3 761 B10R1.61 CC(=O)C1=C(F)C=CC=C1 NO15490 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.61 CC(=O)C1=C(N)C=CC=C1 NO19948 [1,1,0,0,0,0|1,0,1]=4 763 B10R1.61 CC(=O)C1=C(O)C=CC=C1 DY790197 [1,1,0,0,0,0|1,0,1]=4 764 B10R1.61 CC(=O)C1=C(O)C=CC=C1 NO15026 [1,1,0,0,0,0|1,0,1]=4 765 B10R1.61 CC(=O)C1=CC=CN=C1C DY652208 [1,1,0,0,0,0|1,0,1]=4 766 B10R1.61 CC(C)C1=C(Br)C=CC=C1 NO19988 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.61 CC(Cl)C1=C(F)C=NC=C1 DY501981 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.61 CC(N)C1=CC=CN=C1F DY714055 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.61 CC1=C(B(O)O)C=CC=C1 NO20397 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.61 CC1=C(C(=O)O)C=CC=C1 NO19823 [1,1,0,0,0,0|1,0,1]=4 771 B10R1.61 CC1=C(C(C)N)C=CC=C1 DY788943 [1,1,0,0,0,0|0,0,0]=2 772 B10R1.61 CC1=C(C(N)=O)C=CC=N1 NO22408 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.61 CC1=C(C(N)=S)C=CC=C1 DY559011 [1,1,0,0,0,0|0,0,1]=3 774 B10R1.61 CC1=C([C@H](C)O)C=CC=C1 DY822244 [1,1,0,0,0,0|0,0,0]=2 775 B10R1.61 CC1=CC=CN=C1C(C)N DY604773 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.61 CC1=CC=CN=C1C(N)=O DY657435 [1,1,0,0,0,0|1,0,1]=4 777 B10R1.61 CN(C)C1=C(Br)C=CC=C1 DY20183 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 DY20288 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.61 CN(C)C1=C(F)C=CC=C1 DY20285 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.61 CN(C)C1=C(O)C=CC=C1 NO14782 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.61 CN(C)C1=CC=CC=C1N NO14204 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 DY516003 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.61 C[C@@H](N)C1=NC=CC=C1Br DY621531 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 NO13547 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 DY459372 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 NO20301 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 NO20318 [1,1,0,0,0,0|1,0,0]=3 788 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 NO15513 [1,1,0,0,0,0|1,0,0]=3 789 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 DY548415 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.61 C[C@H](O)C1=CC=CN=C1N DY581181 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.61 N=C(N)C1=C(F)C=CC=C1 DY455898 [1,1,0,0,0,0|1,0,1]=4 792 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 NO20174 [1,1,0,0,0,0|1,0,1]=4 793 B10R1.61 NC(=O)C1=C(O)C=CC=C1 NO11941 [1,1,0,0,0,0|1,0,1]=4 794 B10R1.245 BrCC1=C(Br)C=CC=C1Br DY100300 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.245 CC1=CC=CC(Br)=C1C#N NO12993 [1,1,0,0,0,0|0,0,2]=4 796 B10R1.245 CC1=CC=CC(C)=C1C#N NO21705 [1,1,0,0,0,0|0,0,2]=4 797 B10R1.245 CC1=CC=CC(C)=C1C=O NO21067 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.245 CC1=CC=CC(C)=C1CCl DY20793 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.245 CC1=CC=CC(C)=C1CN NO21184 [1,1,0,0,0,0|0,0,0]=2 800 B10R1.245 CC1=CC=CC(C)=C1CO NO10906 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.245 CC1=CC=CC(C)=C1NN NO19886 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.245 CC1=CC=CC(F)=C1C#N NO19871 [1,1,0,0,0,0|0,0,2]=4 803 B10R1.245 CC1=CC=CC(N)=C1C#N DY560523 [1,1,0,0,0,0|0,0,2]=4 804 B10R1.245 CC1=CC=CC(O)=C1C#N NO21595 [1,1,0,0,0,0|0,0,2]=4 805 B10R1.245 CC1=CN=CC(Cl)=C1CCl DY586468 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.245 CC1=CN=CC(Cl)=C1CO DY586469 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.245 CCC1=C(O)C=CC=C1N DY442227 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.245 COC1=C(Br)C=CC=C1Br NO21160 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.245 COC1=C(Cl)C=CC=C1C DY822112 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.245 COC1=C(Cl)C=CC=C1F NO12979 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.245 COC1=C(F)C=CC=C1I DY20137 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.245 COC1=C(N)C=CC=C1F DY20133 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.245 COC1=C(N)C=CN=C1C DY608435 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.245 Cc1cccc(Br)c1CBr DY584783 [1,1,0,0,0,0|1,0,0]=3 815 B10R1.245 ClCC1=C(Cl)C=CC=C1Cl DY537801 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.245 FC1=C(CBr)C(Br)=CC=C1 DY584642 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.245 FC1=C(CBr)C(I)=CC=C1 DY584763 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.245 FC1=CC=CC(F)=C1CCl NO19270 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.245 NCC1=C(Br)C=CC=C1Br NO18032 [1,1,0,0,0,0|1,0,0]=3 820 B10R1.245 NCC1=C(Cl)C=NC=C1Cl DY111179 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.245 NCC1=C(F)C=CC=C1F NO10475 [1,1,0,0,0,0|1,0,0]=3 822 B10R1.245 NCC1=C(N)C=CC=C1F DY744949 [1,1,0,0,0,0|1,0,0]=3 823 B10R1.245 NNC1=C(Cl)C=CC=C1Cl NO19271 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.245 OCC1=C(Br)C=CC=C1F DY447825 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.245 OCC1=C(F)C=CC=C1F NO10419 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.149 CC1=C(C(O)CN)SC=C1 DY107758 [0,1,0,0,1,0|1,0,0]=3 827 B10R1.187 CN1N=CC(Br)=C1CCN DY645964 [0,1,0,0,1,0|2,0,0]=4 828 B12R1.25 FC1=CC=CC(CCCBr)=C1Cl DY748747 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.224 CC1=C(CC(=O)O)C=CC=C1Br DY584725 [0,2,0,0,0,0|1,0,1]=4 830 B12R1.224 CC1=C(CC(=O)O)C=CC=C1F NO12682 [0,2,0,0,0,0|1,0,1]=4 831 B12R1.542 COC1=C(CC#N)C=CC=C1Br DY584893 [0,2,0,0,0,0|0,0,2]=4 832 B12R1.542 COC1=C(CC#N)C=CC=C1C DY585057 [0,2,0,0,0,0|0,0,2]=4 833 B12R1.542 COC1=C(CON)C=CC=C1C DY521109 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.69 CC1=CC(Br)=CN=C1NCCO DY653574 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.69 CC1=CC(Cl)=C(OCCBr)C=C1 DY612938 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.69 FC1=C(CCCBr)C=CC(I)=C1 DY748717 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.69 FC1=CC(Cl)=C(CCCCl)C=C1 DY748741 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 NO17227 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.121 CCNCC1=C(OC)C=CC=C1 DY604484 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.121 CCNCC1=C(OC)C=CC=C1 DY609427 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.121 COC1=C(OCC=O)C=CC=C1 DY112452 [0,2,0,0,0,0|1,0,1]=4 842 B12R1.121 COC1=C(OCCN)C=CC=C1 NO21224 [0,2,0,0,0,0|0,0,0]=2 843 B12R1.121 COCOC1=C(CCl)C=CC=C1 DY568989 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.121 O=CCCC1=C(CCl)C=CC=C1 DY503721 [0,2,0,0,0,0|1,0,0]=3 845 B12R1.125 CC(C)COC1=C(N)C=CC=C1 DY503745 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 DY611009 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 DY541725 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.125 CC1=C(CCC(=O)O)C=CN=C1 DY656458 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 DY535083 [0,2,0,0,0,0|1,0,1]=4 850 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 NO21656 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.267 CNCCOC1=C(F)C=CC=C1 DY576579 [0,2,0,0,0,0|1,0,0]=3 852 B12R1.267 FC1=C(OCCCCl)C=CC=C1 DY506939 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.267 OCCNCC1=C(F)C=CC=C1 DY614592 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.371 CC1=C(NC(=O)CN)C=CC=C1 DY612894 [0,2,0,0,0,0|0,0,1]=3 855 B12R1.371 NC1=C(CC(=O)CCl)C=CC=C1 DY749599 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.371 O=C(CBr)CC1=C(S)C=CC=C1 DY748969 [0,2,0,0,0,0|2,0,0]=4 857 B12R1.374 BrCCOC1=C(Br)C=CC(Br)=C1 DY106792 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.374 FC1=CC(CCCBr)=C(Cl)C=C1 DY748735 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.1631 C#CCOC1=C(C)C=CC=C1C DY539871 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.1631 CC1=CC=CC(=O)N1CCCN DY610751 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.1631 CCNCC1=C(Cl)C=CC=C1F DY797055 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.1631 ClC1=C(CCCBr)C(I)=CC=C1 DY748315 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.1631 O=CCCC1=C(Cl)C=CC=C1Cl DY504549 [0,2,0,0,0,0|2,0,0]=4 864 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 DY603249 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.75 COC1=C(CC(=N)N)C=CC=C1 DY602937 [0,2,0,0,0,0|0,0,1]=3 866 B12R1.75 COC1=C(CC(=N)N)C=CC=C1 DY610288 [0,2,0,0,0,0|0,0,1]=3 867 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 NO16300 [0,2,0,0,0,0|1,0,1]=4 868 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 DY549267 [0,2,0,0,0,0|0,0,1]=3 869 B12R1.75 NCC1=C(CC(=O)O)C=CC=C1 DY553623 [0,2,0,0,0,0|1,0,1]=4 870 B12R1.77 CCC(=O)C1=C(CBr)C=CC=C1 DY747613 [0,2,0,0,0,0|1,0,1]=4 871 B12R1.77 CNC(C)C1=C(OC)C=CC=C1 DY580131 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 NO11020 [0,2,0,0,0,0|1,0,1]=4 873 B12R1.77 COC1=C(C(O)C#N)C=CC=C1 DY558897 [0,2,0,0,0,0|0,0,2]=4 874 B12R1.112 COC1=C(CC#N)C=CC(Br)=C1 DY40760 [0,2,0,0,0,0|0,0,2]=4 875 B12R1.169 CCOC1=C(CCN)C=CC=C1 DY795099 [0,2,0,0,0,0|0,0,0]=2 876 B12R1.169 CCOC1=C(OCC)C=CC=C1 DY792861 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.268 COC1=C(CC#N)C=C(Br)C=C1 NO10269 [0,2,0,0,0,0|0,0,2]=4 878 B12R1.268 COC1=C(CC#N)C=C(Cl)C=C1 NO20218 [0,2,0,0,0,0|0,0,2]=4 879 B12R1.268 COC1=C(CC#N)C=C(F)C=C1 DY584422 [0,2,0,0,0,0|0,0,2]=4 880 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 DY791631 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 DY605092 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.283 O=[N+]([O-])C1=C(CCO)C=CC=C1 DY10134 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.233 CC1=C(NC(N)=S)C=CC(Cl)=C1 DY797163 [0,2,0,0,0,0|1,0,1]=4 884 B12R1.233 C[C@H](N)CC1=C(F)C=C(Br)C=C1 DY518295 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.233 N=C(N)CC1=C(Cl)C=C(Cl)C=C1 DY744379 [0,2,0,0,0,0|1,0,1]=4 886 B12R1.233 NC(=S)CC1=C(Cl)C=C(F)C=C1 DY794187 [0,2,0,0,0,0|1,0,1]=4 887 B12R1.1095 CC1=CC(C)=C(CCO)C(C)=C1 NO21631 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 DY545247 [0,2,0,0,0,0|1,0,1]=4 889 B12R1.1703 CCC(=O)C1=C(C)C=C(Br)C=C1 DY447011 [0,2,0,0,0,0|1,0,1]=4 890 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 DY623566 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 DY789855 [0,2,0,0,0,0|1,0,1]=4 892 B12R1.1703 NC[C@@H](O)c1ccc(Cl)cc1Cl DY516651 [0,2,0,0,0,0|1,0,0]=3 893 B12R1.1703 O[C@@H](CCl)C1=C(Cl)C=C(Cl)C=C1 DY459378 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.1703 O[C@H](CCl)C1=C(F)C=C(F)C=C1 DY822258 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.127 CC1=C(CC(=O)O)C=C(Br)C=C1 DY574905 [0,2,0,0,0,0|1,0,1]=4 896 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 NO11111 [0,2,0,0,0,0|1,0,1]=4 897 B12R1.151 CC(C)(O)CC1=C(Br)C=CC=C1 DY447497 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.151 CC1=C(CS(=O)(=O)Cl)C=CC=C1 DY602735 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.151 NS(=O)(=O)CC1=C(Br)C=CC=C1 DY507422 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.1009 CC1=CC=CC(Br)=C1OC(F)F DY611550 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.354 NCC(=O)C1=C(F)C=CC(F)=C1 NO17892 [0,2,0,0,0,0|1,0,1]=4 902 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DY20326 [1,0,0,1,0,0|1,0,0]=3 903 B10R2.7 C1=CC2=C(C=C1)CSC2 DY114506 [1,0,0,1,0,0|2,0,0]=4 904 B10R2.7 C1=CC2=C(C=C1)OCC2 NO20929 [1,0,0,1,0,0|1,0,0]=3 905 B10R2.7 C1=CC2=NCCN2C=C1 DY760292 [1,0,0,1,0,0|1,0,1]=4 906 B10R2.7 C1=CC=C2CC=CC2=C1 DY20914 [1,0,0,1,0,0|1,0,1]=4 907 B10R2.7 C1=CC=C2CNCC2=C1 NO11516 [1,0,0,1,0,0|2,0,0]=4 908 B10R2.7 C1=CC=C2NC=CC2=C1 NO11496 [1,0,0,1,0,0|0,0,2]=4 909 B10R2.7 C1=CC=C2NCCC2=C1 NO19084 [1,0,0,1,0,0|0,0,0]=2 910 B10R2.7 C1=CC=C2NN=CC2=C1 NO11488 [1,0,0,1,0,0|1,0,1]=4 911 B10R2.7 C1=CN=C2CCCC2=C1 NO14838 [1,0,0,1,0,0|2,0,0]=4 912 B10R2.7 C1=CN=C2CCNC2=C1 DY107728 [1,0,0,1,0,0|1,0,0]=3 913 B10R2.7 C1=NC=C2NCCC2=C1 DY570663 [1,0,0,1,0,0|1,0,0]=3 914 B10R2.320 BrC1CC2=CC=CC=C21 DY539943 [1,0,0,1,0,0|1,0,0]=3 915 B12R2.82 CC1=C2C=CNC2=CC=C1N DY731323 [0,1,0,1,0,0|0,0,2]=4 916 B12R2.82 CC1=C2C=NNC2=CC=C1Br NO12129 [0,1,0,1,0,0|1,0,1]=4 917 B12R2.82 CC1=C2C=NNC2=CC=C1F DY762896 [0,1,0,1,0,0|1,0,1]=4 918 B12R2.82 CC1=C2C=NNC2=CC=C1O DY508928 [0,1,0,1,0,0|1,0,1]=4 919 B12R2.82 FC1=C2CCNC2=CC=C1Br NO17575 [0,1,0,1,0,0|1,0,0]=3 920 B12R2.82 OC1=C(Br)C2=C(C=C1)OCC2 DY751405 [0,1,0,1,0,0|2,0,0]=4 921 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 NO22978 [0,1,0,1,0,0|0,0,1]=3 922 B12R2.202 CC1=CC=CC2=C1N=C(N)N2 DY606549 [0,1,0,1,0,0|1,0,1]=4 923 B12R2.202 NC1=C2CC(=O)NC2=CC=C1 DY630110 [0,1,0,1,0,0|1,0,1]=4 924 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 NO18574 [0,1,0,1,0,0|1,0,1]=4 925 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 NO18158 [0,1,0,1,0,0|1,0,1]=4 926 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 NO22741 [0,1,0,1,0,0|1,0,1]=4 927 B12R2.1081 BrC1=C2CCCCC2=CC=C1 DY768527 [0,1,0,1,0,0|1,0,0]=3 928 B12R2.1081 BrC1=C2CCCNC2=CC=C1 NO18620 [0,1,0,1,0,0|1,0,0]=3 929 B12R2.1081 BrC1=C2CCCNC2=CN=C1 DY20924 [0,1,0,1,0,0|2,0,0]=4 930 B12R2.1081 BrC1=C2CCCNC2=CN=C1 DY585272 [0,1,0,1,0,0|2,0,0]=4 931 B12R2.1081 BrC1=C2CCCOC2=CC=C1 DY677682 [0,1,0,1,0,0|2,0,0]=4 932 B12R2.1081 BrC1=C2CCNCC2=CC=C1 NO19342 [0,1,0,1,0,0|0,0,0]=2 933 B12R2.1081 BrC1=C2CNCCC2=CC=C1 NO12481 [0,1,0,1,0,0|0,0,0]=2 934 B12R2.1081 BrC1=C2CNCCC2=CC=C1 NO15449 [0,1,0,1,0,0|0,0,0]=2 935 B12R2.1081 BrC1=C2OCCCC2=CC=C1 DY551733 [0,1,0,1,0,0|2,0,0]=4 936 B12R2.1081 CC1=C2NCCCC2=CC=C1 DY784858 [0,1,0,1,0,0|1,0,0]=3 937 B12R2.1081 CC1CCNC2=CC=CC=C21 NO17518 [0,1,0,1,0,0|2,0,0]=4 938 B12R2.1081 CC1CNCC2=CC=CC=C21 NO17240 [0,1,0,1,0,0|0,0,0]=2 939 B12R2.1081 CC1NCCC2=CC=CC=C21 NO12178 [0,1,0,1,0,0|0,0,0]=2 940 B12R2.1081 CC1NCCC2=CC=CC=C21 NO15270 [0,1,0,1,0,0|0,0,0]=2 941 B12R2.1081 CN1CCNC2=CC=CC=C21 DY783466 [0,1,0,1,0,0|2,0,0]=4 942 B12R2.1081 CN1CCNC2=CC=CC=C21 NO19012 [0,1,0,1,0,0|2,0,0]=4 943 B12R2.1081 C[C@@H]1CNCC2=CC=CC=C21 DY550353 [0,1,0,1,0,0|0,0,0]=2 944 B12R2.1081 ClC1=C2CCC=CC2=CC=C1 DY764075 [0,1,0,1,0,0|1,0,1]=4 945 B12R2.1081 ClC1=C2CCCNC2=CC=C1 NO19411 [0,1,0,1,0,0|1,0,0]=3 946 B12R2.1081 ClC1=C2CNCCC2=CC=C1 NO17691 [0,1,0,1,0,0|0,0,0]=2 947 B12R2.1081 ClC1=CC=NC2=C1CCCC2 NO16900 [0,1,0,1,0,0|2,0,0]=4 948 B12R2.1081 Clc1ncnc2c1CNCC2 DY100168 [0,1,0,1,0,0|2,0,0]=4 949 B12R2.1081 FC1=C2CCNCC2=CC=C1 NO19337 [0,1,0,1,0,0|0,0,0]=2 950 B12R2.1081 FC1=CC=CC2=C1NCCO2 DY443372 [0,1,0,1,0,0|2,0,0]=4 951 B12R2.1081 IC1CCCC2=CC=CC=C21 DY528825 [0,1,0,1,0,0|1,0,0]=3 952 B12R2.1081 NC1=C2CNCCC2=CC=C1 DY580317 [0,1,0,1,0,0|0,0,0]=2 953 B12R2.1081 NC1=NC=CC2=C1CCCC2 DY677007 [0,1,0,1,0,0|2,0,0]=4 954 B12R2.1081 NC1CCCC2=C1C=NC=C2 DY677013 [0,1,0,1,0,0|2,0,0]=4 955 B12R2.1081 NC1CCCC2=C1N=CC=C2 DY677043 [0,1,0,1,0,0|2,0,0]=4 956 B12R2.1081 NC1CCOC2=CC=CC=C21 NO18355 [0,1,0,1,0,0|2,0,0]=4 957 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 DY551577 [0,1,0,1,0,0|2,0,0]=4 958 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 NO13980 [0,1,0,1,0,0|1,0,0]=3 959 B12R2.1081 O=C1C=CN=C2CNCCN12 DY678327 [0,1,0,1,0,0|2,0,0]=4 960 B12R2.1081 O=C1CCCC2=CC=CC=C12 NO14809 [0,1,0,1,0,0|1,0,1]=4 961 B12R2.1081 O=C1CNNC2=CC=CC=C12 DY755743 [0,1,0,1,0,0|1,0,1]=4 962 B12R2.1081 O=C1NC=NC2=C1CCNC2 DY508958 [0,1,0,1,0,0|2,0,0]=4 963 B12R2.1081 O=C1NCCC2=CC=CC=C12 NO17872 [0,1,0,1,0,0|0,0,1]=3 964 B12R2.1081 O=C1OCCC2=CC=CC=C12 NO12987 [0,1,0,1,0,0|1,0,1]=4 965 B12R2.1081 OB1OCCC2=C1C=CC=C2 DY535881 [0,1,0,1,0,0|2,0,0]=4 966 B12R2.1081 OC1=CC=CC2=C1OCCO2 NO12196 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.1081 OC1CCNC2=CC=CC=C21 DY543693 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 DY555243 [0,1,0,1,0,0|2,0,0]=4 969 B12R2.24 BrC1=CC=C2CCC=CC2=C1 DY763124 [0,1,0,1,0,0|1,0,1]=4 970 B12R2.24 BrC1=CC=C2CCCCC2=C1 NO16753 [0,1,0,1,0,0|1,0,0]=3 971 B12R2.24 BrC1=CC=C2CCCNC2=C1 DY784852 [0,1,0,1,0,0|2,0,0]=4 972 B12R2.24 BrC1=CC=C2CCCNC2=C1 NO18621 [0,1,0,1,0,0|2,0,0]=4 973 B12R2.24 BrC1=CC=C2CCNCC2=C1 NO19606 [0,1,0,1,0,0|0,0,0]=2 974 B12R2.24 BrC1=CC=C2CCOCC2=C1 NO16547 [0,1,0,1,0,0|1,0,0]=3 975 B12R2.24 BrC1=CC=C2CNCCC2=C1 NO10618 [0,1,0,1,0,0|0,0,0]=2 976 B12R2.24 BrC1=CC=C2CNCCC2=C1 NO17620 [0,1,0,1,0,0|0,0,0]=2 977 B12R2.24 BrC1=CC=C2COCCC2=C1 DY441107 [0,1,0,1,0,0|1,0,0]=3 978 B12R2.24 BrC1=CC=C2NCCCC2=C1 NO19737 [0,1,0,1,0,0|2,0,0]=4 979 B12R2.24 BrC1=CC=C2OCCCC2=C1 NO19916 [0,1,0,1,0,0|2,0,0]=4 980 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 DY100126 [0,1,0,1,0,0|1,0,0]=3 981 B12R2.24 CC1=CC=C2CCCCC2=C1 NO10746 [0,1,0,1,0,0|1,0,0]=3 982 B12R2.24 CC1=CC=C2CCNCC2=C1 DY553959 [0,1,0,1,0,0|0,0,0]=2 983 B12R2.24 CC1=CC=C2CCNCC2=C1 NO18155 [0,1,0,1,0,0|0,0,0]=2 984 B12R2.24 CC1=CC=C2CNCCC2=C1 DY431469 [0,1,0,1,0,0|0,0,0]=2 985 B12R2.24 CC1CNC2=CC=CC=C2C1 DY33343 [0,1,0,1,0,0|1,0,0]=3 986 B12R2.24 CN1CCC2=CC=CC=C2C1 NO16157 [0,1,0,1,0,0|0,0,0]=2 987 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 DY674829 [0,1,0,1,0,0|1,0,0]=3 988 B12R2.24 ClC1=CC2=C(CCNC2)N=N1 DY20716 [0,1,0,1,0,0|2,0,0]=4 989 B12R2.24 ClC1=CC2=C(CNCC2)N=N1 DY20767 [0,1,0,1,0,0|2,0,0]=4 990 B12R2.24 ClC1=CC=C2CNCCC2=C1 DY549387 [0,1,0,1,0,0|0,0,0]=2 991 B12R2.24 ClC1=CC=C2NCCCC2=C1 NO14585 [0,1,0,1,0,0|2,0,0]=4 992 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 NO16899 [0,1,0,1,0,0|2,0,0]=4 993 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 NO12512 [0,1,0,1,0,0|1,0,0]=3 994 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 DY672625 [0,1,0,1,0,0|2,0,0]=4 995 B12R2.24 FC1=CC=C2CNCCC2=C1 DY572409 [0,1,0,1,0,0|0,0,0]=2 996 B12R2.24 FC1=CC=C2OCCCC2=C1 DY584315 [0,1,0,1,0,0|2,0,0]=4 997 B12R2.24 IC1=CC=C2CCCNC2=C1 DY450838 [0,1,0,1,0,0|2,0,0]=4 998 B12R2.24 NC1=CC2=C(C=C1)CCCC2 DY541887 [0,1,0,1,0,0|1,0,0]=3 999 B12R2.24 NC1=CC2=C(CCNC2)N=C1 DY582183 [0,1,0,1,0,0|1,0,0]=3 1000 B12R2.24 NC1=CC=C2CCCNC2=C1 DY526875 [0,1,0,1,0,0|2,0,0]=4 1001 B12R2.24 NC1=NC2=C(C=C1)CCCC2 DY521631 [0,1,0,1,0,0|2,0,0]=4 1002 B12R2.24 NC1CCC2=CC=CC=C2C1 NO18799 [0,1,0,1,0,0|0,0,0]=2 1003 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 DY765191 [0,1,0,1,0,0|0,0,0]=2 1004 B12R2.24 O=C1CCC2=C(C1)N=CC=C2 DY798129 [0,1,0,1,0,0|2,0,0]=4 1005 B12R2.24 O=C1CCC2=CC=CC=C2N1 NO11038 [0,1,0,1,0,0|2,0,0]=4 1006 B12R2.24 O=C1COC2=CC=CC=C2C1 DY681882 [0,1,0,1,0,0|1,0,1]=4 1007 B12R2.24 OC1=CC2=C(C=C1)CCCC2 NO13514 [0,1,0,1,0,0|1,0,0]=3 1008 B12R2.24 OC1=CC=C2CCCNC2=C1 NO10898 [0,1,0,1,0,0|2,0,0]=4 1009 B12R2.24 OC1=CC=C2CCNCC2=C1 NO17696 [0,1,0,1,0,0|0,0,0]=2 1010 B12R2.24 OC1=CC=C2CNCCC2=C1 NO18391 [0,1,0,1,0,0|0,0,0]=2 1011 B12R2.24 OC1CCC2=CC=CC=C2O1 DY681876 [0,1,0,1,0,0|2,0,0]=4 1012 B12R2.32 CNN1CC2=CC=CC=C2C1 DY630906 [0,1,0,1,0,0|1,0,0]=3 1013 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 DY111185 [0,1,0,1,0,0|0,0,2]=4 1014 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 DY425570 [0,1,0,1,0,0|1,0,1]=4 1015 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 NO14446 [0,1,0,1,0,0|1,0,1]=4 1016 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 NO20888 [0,1,0,1,0,0|1,0,1]=4 1017 B12R2.32 O=CN1CC2=CC=CC=C2C1 DY709573 [0,1,0,1,0,0|1,0,1]=4 1018 B12R2.32 OCC1=CC2=CC=CC=C2C1 DY799617 [0,1,0,1,0,0|1,0,1]=4 1019 B12R2.32 OCC1CC2=CC=CC=C2N1 DY630738 [0,1,0,1,0,0|1,0,0]=3 1020 B12R2.32 ON=C1CC2=CC=CC=C2C1 DY584322 [0,1,0,1,0,0|0,0,2]=4 1021 B12R2.115 N[C@@H]1C[C@H]1C2=C(Cl)C=CC=C2 DY585345 [0,1,0,1,0,0|1,0,0]=3 1022 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 NO14012 [0,1,0,1,0,0|1,0,0]=3 1023 B12R2.196 CC1=C2CC[C@H](N)C2=CC=C1 DY625369 [0,1,0,1,0,0|0,0,0]=2 1024 B12R2.196 CC1=CC=CC2=C1COB2O DY582099 [0,1,0,1,0,0|2,0,0]=4 1025 B12R2.196 CC1=CC=CC2=C1OC[C@@H]2N DY622563 [0,1,0,1,0,0|0,0,0]=2 1026 B12R2.196 NC1CCC2=C(F)C=CC=C21 NO18746 [0,1,0,1,0,0|1,0,0]=3 1027 B12R2.196 NC1CCC2=C1C=NC=C2Br DY523305 [0,1,0,1,0,0|2,0,0]=4 1028 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 NO14533 [0,1,0,1,0,0|1,0,0]=3 1029 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 NO14534 [0,1,0,1,0,0|1,0,0]=3 1030 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 NO10966 [0,1,0,1,0,0|2,0,0]=4 1031 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 NO18751 [0,1,0,1,0,0|2,0,0]=4 1032 B12R2.196 O=C1CCC2=C(O)C=CC=C12 NO19922 [0,1,0,1,0,0|2,0,0]=4 1033 B12R2.225 OC1=C(CC2CC2)C=CC=C1 DY757669 [0,1,0,1,0,0|2,0,0]=4 1034 B12R2.1 N#CC1CCC2=CC=CC=C21 NO13197 [0,1,0,1,0,0|0,0,2]=4 1035 B12R2.1 NCC1=CNC2=CC=CC=C12 DY515577 [0,1,0,1,0,0|0,0,2]=4 1036 B12R2.1 NCC1=CNC2=CC=CC=C12 DY728299 [0,1,0,1,0,0|0,0,2]=4 1037 B12R2.1 NCC1=CNC2=CC=CC=C12 NO20093 [0,1,0,1,0,0|0,0,2]=4 1038 B12R2.1 NCC1=NNC2=CC=CC=C21 NO11089 [0,1,0,1,0,0|1,0,1]=4 1039 B12R2.1 O=CC1CNC2=CC=CC=C21 DY630762 [0,1,0,1,0,0|1,0,1]=4 1040 B12R2.18 CN1C(N)=CC2=CC=CC=C21 DY106654 [0,1,0,1,0,0|0,0,2]=4 1041 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 DY528933 [0,1,0,1,0,0|1,0,1]=4 1042 B12R2.18 NC1C2=CC=CC=C2CC1O DY455537 [0,1,0,1,0,0|1,0,0]=3 1043 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O DY20312 [0,1,0,1,0,0|1,0,0]=3 1044 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O NO13576 [0,1,0,1,0,0|1,0,0]=3 1045 B12R2.18 O=C1C2=CC=CC=C2CC1Br DY772371 [0,1,0,1,0,0|1,0,1]=4 1046 B12R2.315 BrCC1=C2C=NNC2=CC=C1 DY762506 [0,1,0,1,0,0|1,0,1]=4 1047 B12R2.315 BrCC1=CC=CC2=C1OCO2 NO15539 [0,1,0,1,0,0|2,0,0]=4 1048 B12R2.315 COC1=C2C=CNC2=CC=C1 NO21717 [0,1,0,1,0,0|0,0,2]=4 1049 B12R2.315 COC1=C2CCNC2=CC=C1 DY570405 [0,1,0,1,0,0|0,0,0]=2 1050 B12R2.315 COC1=C2CNCC2=CC=C1 NO17395 [0,1,0,1,0,0|2,0,0]=4 1051 B12R2.315 COC1=C2NCCC2=CC=C1 DY549339 [0,1,0,1,0,0|2,0,0]=4 1052 B12R2.315 N#CC1=CC=CC2=C1CCN2 NO17741 [0,1,0,1,0,0|0,0,1]=3 1053 B12R2.315 NCC1=C2C=NNC2=CC=C1 DY444322 [0,1,0,1,0,0|1,0,1]=4 1054 B12R2.315 NCC1=CC=CC2=C1N=CN2 DY532731 [0,1,0,1,0,0|1,0,1]=4 1055 B12R2.315 O=CC1=CC=CC2=C1CCC2 DY744601 [0,1,0,1,0,0|1,0,1]=4 1056 B12R2.315 OCC1=C2CCNC2=CC=C1 NO13211 [0,1,0,1,0,0|0,0,0]=2 1057 B12R2.2048 NCC1=C(C2CC2)C=CC=C1 NO15686 [0,1,0,1,0,0|1,0,0]=3 1058 B12R2.2048 OCC1=C(C2CC2)C=CC=C1 NO16040 [0,1,0,1,0,0|1,0,0]=3 1059 B12R2.246 CC1=C2C=NNC2=CC(Br)=C1 DY577533 [0,1,0,1,0,0|1,0,1]=4 1060 B12R2.246 CC1=C2C=NNC2=CC(F)=C1 DY761384 [0,1,0,1,0,0|1,0,1]=4 1061 B12R2.246 ClC1=CC(Cl)=C2CCNC2=N1 DY675613 [0,1,0,1,0,0|2,0,0]=4 1062 B12R2.246 OC1=CC(Br)=CC2=C1CCC2 DY532533 [0,1,0,1,0,0|2,0,0]=4 1063 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 DY447233 [0,1,0,1,0,0|0,0,0]=2 1064 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 NO18236 [0,1,0,1,0,0|0,0,0]=2 1065 B12R2.606 NC1CC2=CC=C(I)C=C2C1 DY21023 [0,1,0,1,0,0|0,0,0]=2 1066 B12R2.606 OC1CC2=CC=C(Br)C=C2C1 NO12609 [0,1,0,1,0,0|1,0,0]=3 1067 B12R2.221 CC1=C2C=CCC2=C(C)C=C1 DY20297 [0,1,0,1,0,0|1,0,1]=4 1068 B12R2.221 OC1=C2CCOC2=C(F)C=C1 DY459005 [0,1,0,1,0,0|2,0,0]=4 1069 B12R2.88 NC1(C2=C(Cl)C=CC=C2)CC1 DY576165 [0,1,0,1,0,0|2,0,0]=4 1070 B12R2.203 NC1CCC2=CC=CC(F)=C21 DY741805 [0,1,0,1,0,0|2,0,0]=4 1071 B12R2.203 OC1CCC2=CC=CC(Br)=C21 DY510501 [0,1,0,1,0,0|2,0,0]=4 1072 B12R2.203 OC1CSC2=C1C(Br)=CC=C2 DY569607 [0,1,0,1,0,0|2,0,0]=4 1073 B8R1.8 NCCC1=CC=CN1 DY717219 [1,0,0,0,1,0|1,0,0]=3 1074 B8R1.8 NCCC1=CN=CS1 DY785962 [1,0,0,0,1,0|2,0,0]=4 1075 B8R1.8 NCCC1=CNC=N1 DY557493 [1,0,0,0,1,0|2,0,0]=4 1076 B8R1.8 NCCC1=CNC=N1 NO18264 [1,0,0,0,1,0|2,0,0]=4 1077 B8R1.8 NCCC1=CSC=C1 NO22098 [1,0,0,0,1,0|1,0,0]=3 1078 B8R1.8 NCCC1=NC=CN1 DY725263 [1,0,0,0,1,0|2,0,0]=4 1079 B8R1.8 NCCN1C=CC=N1 DY501807 [1,0,0,0,1,0|2,0,0]=4 1080 B8R1.8 NNCC1=CC=CS1 DY607641 [1,0,0,0,1,0|2,0,0]=4 1081 B8R1.8 OCCC1=CC=CS1 NO14939 [1,0,0,0,1,0|2,0,0]=4 1082 B8R1.8 OCCC1=CSC=C1 NO20858 [1,0,0,0,1,0|2,0,0]=4 1083 B8R1.11 CC1=C(CN)SC=C1 DY609391 [1,0,0,0,1,0|1,0,0]=3 1084 B8R1.11 CC1=NOC=C1CN DY773325 [1,0,0,0,1,0|2,0,0]=4 1085 B8R1.11 CCC1=NNC=C1C DY647288 [1,0,0,0,1,0|2,0,0]=4 1086 B8R1.11 CCN1C=CN=C1C DY540057 [1,0,0,0,1,0|2,0,0]=4 1087 B8R1.11 CN1C=CC=C1CN DY717975 [1,0,0,0,1,0|1,0,0]=3 1088 B8R1.11 CN1C=NC=C1CN DY725329 [1,0,0,0,1,0|2,0,0]=4