0 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 C#CCC1=CC=CC=C1 DY501873 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.8 CCCC1=CC=CN=C1 NO22402 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CCOC1=CC=CN=N1 DY736406 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 CCOC1=NC=CN=C1 NO21524 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.8 CNCC1=CC=CC=C1 DY10559 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 CNCC1=CC=CC=C1 DY20323 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.8 CNCC1=CC=CC=C1 DY21006 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.8 CNCC1=CC=CN=C1 NO18846 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 CNCC1=CC=NC=C1 DY712153 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.8 CNCC1=NC=CC=C1 DY501242 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 CNCC1=NC=CC=C1 DY663671 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 COCC1=NC=CC=C1 NO20909 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 CSCC1=NC=CN=C1 DY710935 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.8 ClCCC1=CC=NC=C1 NO17913 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 ClCCC1=NC=CN=C1 DY585865 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.8 N#CCC1=CC=CN=C1 NO18407 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.8 N#CCC1=CC=NC=C1 NO20239 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.8 N#CCC1=NC=CC=C1 NO18926 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.8 N#C[Se]C1=CC=CC=C1 DY822031 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.8 NCCC1=CC=CN=C1 NO21892 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.8 NCCC1=CN=CN=C1 DY693160 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 NCCC1=NC=CC=C1 NO14064 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 NCCC1=NC=CC=N1 DY510693 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.8 NNCC1=CC=CC=C1 NO11006 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.8 NNCC1=CC=CC=C1 NO12127 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.8 NNCC1=CC=NC=C1 DY518961 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.8 NNCC1=NC=CC=C1 DY578445 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.8 NOCC1=CC=CC=C1 NO14063 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.8 OCCC1=CN=CN=C1 NO12401 [0,0,0,0,0,0|2,1,0]=3 31 B9R1.8 ONCC1=CC=CC=C1 DY563853 [0,0,0,0,0,0|1,1,0]=2 32 B9R1.8 ONCC1=CC=CC=C1 NO11753 [0,0,0,0,0,0|1,1,0]=2 33 B8R1.2 BrCC1=CC=CN=N1 NO15758 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 BrCC1=CC=NC=C1 NO22459 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 BrCC1=CN=CN=C1 NO17938 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.2 BrCC1=NC=CN=C1 DY710893 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.2 C#CC1=CC=CC=C1 NO19127 [1,0,0,0,0,0|0,0,2]=3 38 B8R1.2 C#CC1=CC=NC=C1 DY544323 [1,0,0,0,0,0|1,0,2]=4 39 B8R1.2 C#CC1=NC=CC=C1 NO21539 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.2 C=CC1=CC=CN=C1 DY507011 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.2 CCC1=CC=CN=C1 NO22277 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.2 CCC1=NC=CN=C1 NO21534 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 CNC1=CC=CC=C1 NO11792 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.2 CNC1=CC=CN=C1 NO13856 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 CNC1=CN=CN=C1 DY553401 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 COC1=CC=CN=C1 NO22348 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 COC1=CC=CN=N1 NO22347 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 COC1=CC=NC=C1 NO19206 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 COC1=CC=[C-]C=C1 DY747109 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.2 COC1=NC=CC=C1 NO18780 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 COC1=NC=CN=C1 NO17887 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 CSC1=NC=CC=N1 DY573207 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 CSC1=NC=CN=C1 DY541389 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 ClCC1=CC=CN=C1 NO19291 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 ClCC1=CC=CN=N1 NO16004 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 ClCC1=NC=CC=C1 NO19289 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 ClCC1=NC=CC=N1 NO20902 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 ClSC1=CC=CC=C1 DY799077 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 ICC1=CC=CC=C1 NO11000 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.2 N#CC1=CN=CC=C1 NO22263 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.2 N#CC1=NC=CC=C1 NO19642 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 N#Cc1ccccc1 NO13696 [1,0,0,0,0,0|1,0,1]=3 63 B8R1.2 NCC1=CC=CN=C1 NO14226 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 NCC1=CC=NC=C1 NO11906 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 NCC1=CC=NC=C1 NO19023 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 NCC1=CN=NC=C1 NO15014 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 NCC1=CN=NC=C1 NO15515 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 NCC1=NC=CC=C1 DY663911 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 NCC1=NC=CC=N1 NO21304 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 NCC1=NC=CN=C1 DY710323 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 NCC1=NC=CN=C1 NO19691 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 NCC1=NC=CN=C1 NO20245 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 NNC1=CC=CC=C1 NO15210 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.2 NNC1=CC=CN=C1 NO15491 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 NNC1=CC=CN=C1 NO22308 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 NNC1=CC=NC=C1 DY20777 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 NNC1=NC=CC=C1 NO15589 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 NNC1=NC=CC=C1 NO21573 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 O=CC1=CC=NC=C1 DY458075 [1,0,0,0,0,0|1,1,1]=4 80 B8R1.2 O=CC1=CN=CC=C1 NO19090 [1,0,0,0,0,0|1,1,1]=4 81 B8R1.2 O=CC1=NC=CC=C1 NO18610 [1,0,0,0,0,0|1,1,1]=4 82 B8R1.2 OCC1=CC=CN=C1 NO22409 [1,0,0,0,0,0|1,1,0]=3 83 B8R1.2 OCC1=CC=CN=N1 NO21870 [1,0,0,0,0,0|2,1,0]=4 84 B8R1.2 OCC1=CC=NC=C1 NO19163 [1,0,0,0,0,0|1,1,0]=3 85 B8R1.2 OCC1=CN=CN=C1 DY444370 [1,0,0,0,0,0|2,1,0]=4 86 B8R1.2 OCC1=NC=CC=C1 NO19164 [1,0,0,0,0,0|1,1,0]=3 87 B8R1.2 OCC1=NC=CC=N1 NO19924 [1,0,0,0,0,0|2,1,0]=4 88 B8R1.2 OCC1=NC=CN=C1 NO21749 [1,0,0,0,0,0|2,1,0]=4 89 B8R1.2 OCC1=NC=NC=C1 NO11915 [1,0,0,0,0,0|2,1,0]=4 90 B10R1.1 BrCCC1=CC=C(Br)C=C1 DY531753 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.1 CC#CC1=CC=C(Br)C=C1 DY788811 [0,1,0,0,0,0|1,0,2]=4 92 B10R1.1 CC1=CC=C(CC#N)C=C1 NO21709 [0,1,0,0,0,0|1,0,1]=3 93 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.1 CC1=CC=C(CNN)C=C1 NO20201 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.1 CC1=CN=C(CCCl)C=N1 DY585863 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.1 CC1=CN=C(CCN)C=C1 DY654264 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.1 CCCC1=CC=C(Br)C=C1 NO10896 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.1 CCNC1=CC=C(C)C=C1 DY822062 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.1 CCNC1=CC=C(Cl)C=C1 DY745663 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.1 CCNC1=NC=C(Br)C=C1 DY659768 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.1 CCOC1=CC=C(I)C=C1 NO22907 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.1 CCOC1=CC=C(N)C=C1 NO11879 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.1 CCOC1=CC=C(O)C=C1 DY563859 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.1 CCOC1=CN=C(N)C=C1 NO15063 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.1 CCOC1=NC=C(Br)C=C1 NO22026 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.1 CCOC1=NC=C(N)C=C1 NO14713 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.1 CNCC1=CC=C(Br)C=C1 NO19272 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.1 CNCC1=CC=C(Cl)C=C1 DY455886 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.1 CNCC1=CC=C(Cl)N=C1 DY511497 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.1 CNCC1=CC=C(F)C=C1 DY585104 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.1 COCC1=CC=C(O)C=N1 DY712897 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.1 CSCC1=CN=C(Cl)C=C1 DY606927 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.1 CSCC1=NC=C(Br)C=C1 DY112104 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.1 ClC1=CC=C(CCBr)C=C1 NO10835 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.1 ClCCC1=CN=C(Cl)C=C1 DY714175 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.1 FC1=CC=C(CCBr)C=C1 NO10866 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.1 FC1=CC=C(CCCl)C=C1 DY584346 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.1 N#CCC1=CC=C(Br)C=C1 NO20687 [0,1,0,0,0,0|1,0,1]=3 121 B10R1.1 N#CCC1=CC=C(Cl)C=C1 DY20790 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.1 N#CCC1=CC=C(Cl)N=C1 NO19041 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.1 N#CCC1=CC=C(F)C=C1 NO14479 [0,1,0,0,0,0|1,0,1]=3 124 B10R1.1 N#CCC1=CC=C(O)C=C1 DY522681 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.1 N#CCC1=NC=C(Br)C=C1 NO19461 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.1 N#CCC1=NC=C(Cl)C=C1 NO15674 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.1 NC1=CC=C(CCO)C=C1 NO13450 [0,1,0,0,0,0|0,1,0]=2 128 B10R1.1 NCCC1=CC=C(Br)C=C1 NO19296 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.1 NCCC1=CC=C(F)C=C1 NO13766 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY570291 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY583979 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.1 NNCC1=CC=C(F)C=C1 DY567861 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.1 NNCC1=CC=C(F)C=C1 NO17057 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.1 O=C=NC1=CC=C(F)C=C1 DY33036 [0,1,0,0,0,0|1,1,1]=4 135 B10R1.1 O=CCC1=CC=C(Br)C=C1 NO18203 [0,1,0,0,0,0|0,1,1]=3 136 B10R1.1 OCCC1=CC=C(Br)C=C1 NO14491 [0,1,0,0,0,0|0,1,0]=2 137 B10R1.1 OCCC1=CC=C(Cl)C=C1 NO22791 [0,1,0,0,0,0|0,1,0]=2 138 B10R1.1 OCCC1=CC=C(Cl)N=C1 DY509192 [0,1,0,0,0,0|1,1,0]=3 139 B10R1.1 OCCC1=CC=C(O)C=C1 NO20458 [0,1,0,0,0,0|0,1,0]=2 140 B10R1.4 C=CCC1=C(C)C=CN=C1 DY451588 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.4 C=CCC1=COC=CC1=O DY777394 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.4 CC1=NC=CC=C1CCN DY653840 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.4 CCCC1=CN=CN=C1Cl DY544407 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.4 CCOC1=C(Br)C=CC=C1 DY20149 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.4 CCOC1=C(C)C=CN=C1 DY711121 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.4 CCOC1=C(F)C=CC=C1 DY452620 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.4 CCOC1=C(N)C=NC=C1 DY712177 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.4 CCOC1=CC=CN=C1Br DY712381 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.4 CCOC1=CC=CN=C1Cl DY564873 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.4 CCOC1=NC=CC=C1Br DY452812 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.4 CNCC1=C(Br)C=CC=C1 DY455892 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.4 CNCC1=CC=CN=C1C DY711673 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.4 CNCC1=CC=CN=C1Cl DY610776 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.4 COCC1=C(Br)C=NC=C1 DY714049 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.4 N#CCC1=C(Br)C=CC=C1 NO10707 [0,1,0,0,0,0|1,0,1]=3 156 B10R1.4 N#CCC1=C(Cl)C=CC=C1 NO21495 [0,1,0,0,0,0|1,0,1]=3 157 B10R1.4 N#CCC1=C(F)C=CC=C1 NO20772 [0,1,0,0,0,0|1,0,1]=3 158 B10R1.4 N#CCC1=C(N)C=CC=C1 NO20914 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.4 N#CCC1=CC=CN=C1Br DY447479 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.4 N#CCC1=CC=CN=C1Cl NO13165 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.4 N#CCC1=NC=CC=C1Cl DY534597 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.4 NCCC1=C(Br)C=CC=C1 NO15138 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.4 NCCC1=C(F)C=CC=C1 NO14793 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.4 NCCC1=C(N)C=CC=C1 DY584423 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.4 NCCC1=C(N)C=CC=C1 NO15970 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.4 NCCC1=CC=CN=C1Cl DY585655 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.4 NNCC1=C(F)C=CC=C1 NO20134 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.4 O=C=NC1=C(Br)C=CC=C1 DY41031 [0,1,0,0,0,0|1,1,1]=4 169 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 DY789879 [0,1,0,0,0,0|1,1,1]=4 170 B10R1.4 OCCC1=C(Br)C=CC=C1 NO21407 [0,1,0,0,0,0|0,1,0]=2 171 B10R1.4 OCCC1=C(I)C=CC=C1 DY545007 [0,1,0,0,0,0|0,1,0]=2 172 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 DY558525 [0,1,0,0,0,0|1,1,1]=4 173 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 DY794499 [0,1,0,0,0,0|1,1,1]=4 174 B10R1.4 O\N=C\C1=C(F)C=CC=C1 DY106948 [0,1,0,0,0,0|1,1,1]=4 175 B10R1.4 O\N=C\C1=CC=CC=C1O DY581391 [0,1,0,0,0,0|1,1,1]=4 176 B10R1.10 CC#CC1=CC=CC(C)=C1 DY788763 [0,1,0,0,0,0|1,0,2]=4 177 B10R1.10 CC1=CC(CC#N)=CC=C1 NO18941 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.10 CC1=CC(CCN)=NC=C1 DY713209 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [0,1,0,0,0,0|0,1,0]=2 180 B10R1.10 CC1=CC=CC(CNN)=C1 DY514611 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.10 CCCC1=CN=CC(O)=C1 DY660255 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.10 CCNC1=NC=CC(Cl)=C1 DY658481 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.10 CCNC1=NC=CC(N)=C1 NO14774 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.10 CCOC1=CC(N)=NC=C1 DY20309 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.10 CCOC1=CC=CC(Cl)=N1 DY655578 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.10 CNCC1=CC(Cl)=CC=C1 DY456640 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.10 CNCC1=CC=CC(N)=C1 DY789483 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.10 COCC1=CC(Br)=NC=C1 DY655107 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.10 Clc1cccc(CCBr)c1 DY584685 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.10 N#CCC1=CC(Br)=CC=C1 NO18969 [0,1,0,0,0,0|1,0,1]=3 191 B10R1.10 N#CCC1=CC(Cl)=CC=C1 NO13745 [0,1,0,0,0,0|1,0,1]=3 192 B10R1.10 N#CCC1=CC(F)=CC=C1 DY20212 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.10 N#CCC1=CC(I)=CC=C1 DY584378 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.10 N#CCC1=NC=CC(Br)=C1 NO17276 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.10 N#CCC1=NC=CC(F)=C1 DY711241 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.10 NC1=CC=CC(CCO)=C1 NO22105 [0,1,0,0,0,0|0,1,0]=2 197 B10R1.10 NC1=CC=CC(CCO)=N1 DY608453 [0,1,0,0,0,0|1,1,0]=3 198 B10R1.10 NCCC1=CC(Br)=CC=C1 NO15159 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.10 NCCC1=NC(Cl)=CC=C1 DY654324 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.10 NCCc1cccc(O)c1 DY552393 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.10 NNCC1=CC(Cl)=CC=C1 DY544953 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.10 NNCC1=CC(O)=CC=C1 DY10382 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.10 O=C=NC1=CC(F)=CC=C1 DY41043 [0,1,0,0,0,0|1,1,1]=4 204 B10R1.10 OCCC1=CC(Br)=CC=C1 NO22186 [0,1,0,0,0,0|0,1,0]=2 205 B10R1.10 OCCC1=CC(Cl)=CC=C1 NO22241 [0,1,0,0,0,0|0,1,0]=2 206 B10R1.10 OCCC1=NC(Cl)=CC=C1 DY531777 [0,1,0,0,0,0|1,1,0]=3 207 B10R1.10 O\N=C\C1=CC(Br)=CC=C1 DY796005 [0,1,0,0,0,0|1,1,1]=4 208 B10R1.10 S=C=NC1=CC(I)=CC=C1 DY41073 [0,1,0,0,0,0|1,0,2]=4 209 B10R1.15 C#CC(=O)C1=CC=CC=C1 DY551139 [0,1,0,0,0,0|1,0,2]=4 210 B10R1.15 C#CC(O)C1=CC=CC=C1 DY460116 [0,1,0,0,0,0|1,0,1]=3 211 B10R1.15 C#CC(O)C1=CC=NC=C1 NO16716 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.15 C#CC(O)C1=NC=CC=C1 DY717033 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 DY565311 [0,1,0,0,0,0|1,0,1]=3 214 B10R1.15 C=C(CBr)C1=CC=CC=C1 NO20091 [0,1,0,0,0,0|1,0,1]=3 215 B10R1.15 CC(CN)C1=CC=CC=C1 DY822021 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.15 CC(NN)C1=CC=CN=C1 DY656338 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.15 CCC(=O)C1=CC=NC=C1 DY584353 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.15 CCC(C)C1=NC=CN=C1 DY710905 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.15 CCC(O)C1=CC=CC=C1 DY580677 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.15 CCS(=O)C1=CC=CC=C1 DY746839 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.15 CC[C@H](N)C1=CC=CC=C1 DY20337 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.15 CC[C@H](N)C1=CC=NC=C1 DY623825 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.15 CN(C=O)C1=CC=CC=C1 NO11793 [0,1,0,0,0,0|1,1,1]=4 225 B10R1.15 COS(=O)C1=CC=CC=C1 DY566439 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 NO10909 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.15 NC(CO)C1=CC=CC=C1 NO15860 [0,1,0,0,0,0|0,1,0]=2 228 B10R1.15 NC(CO)C1=CC=CN=C1 DY654840 [0,1,0,0,0,0|1,1,0]=3 229 B10R1.15 NC(CO)C1=NC=CC=C1 DY111155 [0,1,0,0,0,0|1,1,0]=3 230 B10R1.15 NC(CO)C1=NC=CC=C1 DY509906 [0,1,0,0,0,0|1,1,0]=3 231 B10R1.15 NCC(=O)C1=CC=CC=C1 NO10874 [0,1,0,0,0,0|1,0,1]=3 232 B10R1.15 NC[C@H](O)C1=CC=CC=C1 NO20485 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.15 NNC(=O)C1=CC=CC=C1 NO10971 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.15 NNC(=S)C1=CC=CC=C1 DY721675 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 NO10553 [0,1,0,0,0,0|0,1,0]=2 236 B10R1.15 N[C@H](CO)C1=CC=CC=C1 NO10555 [0,1,0,0,0,0|0,1,0]=2 237 B10R1.15 N[C@H](CO)C1=NC=CC=C1 DY624391 [0,1,0,0,0,0|1,1,0]=3 238 B10R1.15 O=C(CBr)C1=CC=CC=C1 NO19274 [0,1,0,0,0,0|1,0,1]=3 239 B10R1.15 O=C(CBr)C1=CC=NC=C1 NO20175 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.15 O=NN(O)C1=CC=CC=C1 DY791781 [0,1,0,0,0,0|2,1,0]=4 241 B10R1.15 O=NN([O-])c1ccccc1 DY822384 [0,1,0,0,0,0|2,1,0]=4 242 B10R1.15 OC(CBr)C1=CC=CC=C1 NO18840 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.15 OC[C@@H](O)c1ccccc1 DY459384 [0,1,0,0,0,0|0,1,0]=2 244 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 DY608146 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.17 BrCCCC1=CC=CN=C1 DY604503 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.17 CCOCC1=CC=NC=C1 DY657931 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.17 CNCCC1=CC=CC=N1 DY455430 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.17 ClCCCC1=CC=CN=C1 DY656440 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY41818 [0,1,0,0,0,0|1,0,1]=3 252 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY539883 [0,1,0,0,0,0|1,0,1]=3 253 B10R1.17 N#CC#CC1=CC=CC=C1 NO16032 [0,1,0,0,0,0|1,0,2]=4 254 B10R1.17 N#C[Se]CC1=CC=CC=C1 DY822032 [0,1,0,0,0,0|1,0,1]=3 255 B10R1.17 NCCCC1=CC=NC=C1 DY425564 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.17 NCCCC1=NC=CC=N1 DY737570 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.17 NCCNC1=CC=NC=C1 DY657683 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.17 NCCNC1=NC=CC=C1 NO11746 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.17 NCCOC1=CC=CN=C1 NO16368 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.17 NCCOC1=NC=CN=C1 DY508970 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.17 NNCCc1ccccc1 DY527511 [0,1,0,0,0,0|1,0,0]=2 263 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [0,1,0,0,0,0|0,1,1]=3 264 B10R1.17 O=CC#CC1=CC=CC=C1 NO18196 [0,1,0,0,0,0|0,1,2]=4 265 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [0,1,0,0,0,0|1,1,0]=3 266 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [0,1,0,0,0,0|0,1,1]=3 267 B10R1.17 OCC#CC1=NC=CC=C1 DY711583 [0,1,0,0,0,0|1,1,1]=4 268 B10R1.17 OCCCC1=CC=NC=C1 NO22019 [0,1,0,0,0,0|1,1,0]=3 269 B10R1.17 OCCCC1=CN=CN=C1 DY693694 [0,1,0,0,0,0|2,1,0]=4 270 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [0,1,0,0,0,0|0,1,1]=3 271 B10R1.18 BrC(Br)=CC1=CC=CC=C1 NO16193 [0,1,0,0,0,0|1,0,2]=4 272 B10R1.18 CC(=O)CC1=CC=CN=C1 DY567891 [0,1,0,0,0,0|1,1,1]=4 273 B10R1.18 CC(=O)CC1=CC=NC=C1 NO20988 [0,1,0,0,0,0|1,1,1]=4 274 B10R1.18 CC(=O)CC1=NC=CC=C1 NO20802 [0,1,0,0,0,0|1,1,1]=4 275 B10R1.18 CC(C)NC1=CC=CC=C1 NO11787 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.18 CC(C)NC1=CC=NC=C1 DY663647 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.18 CC(N)CC1=NC=CC=C1 DY652737 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.18 CC(O)CC1=NC=CN=C1 DY709807 [0,1,0,0,0,0|2,1,0]=4 279 B10R1.18 FC(F)OC1=NC=CC=C1 DY116213 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.18 N=C(N)CC1=CC=CN=C1 DY610010 [0,1,0,0,0,0|2,0,1]=4 281 B10R1.18 NC(=O)NC1=CC=CC=C1 NO10533 [0,1,0,0,0,0|1,1,1]=4 282 B10R1.18 O=C(Cl)OC1=CC=CC=C1 NO18823 [0,1,0,0,0,0|1,1,1]=4 283 B10R1.18 O=C(O)CC1=CC=CN=C1 NO20325 [0,1,0,0,0,0|1,1,1]=4 284 B10R1.18 O=C(O)CC1=CC=NC=C1 NO20327 [0,1,0,0,0,0|1,1,1]=4 285 B10R1.18 O=C([O-])CC1=NC=CC=C1 DY716949 [0,1,0,0,0,0|1,1,1]=4 286 B10R1.18 O=S([O-])CC1=CC=CC=C1 DY745429 [0,1,0,0,0,0|1,1,0]=3 287 B10R1.18 O=[N+]([O-])SC1=CC=CC=C1 DY791007 [0,1,0,0,0,0|2,1,0]=4 288 B8R0.4 CCC\C=C\C=C\CO NO17006 [0,0,1,0,0,0|2,0,1]=4 289 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DY20326 [0,0,0,1,0,0|0,1,0]=2 290 B10R2.7 C1=CC2=C(C=C1)CSC2 DY114506 [0,0,0,1,0,0|2,0,0]=3 291 B10R2.7 C1=CC2=C(C=C1)OC=N2 NO10994 [0,0,0,1,0,0|1,1,1]=4 292 B10R2.7 C1=CC2=C(C=C1)OCC2 NO20929 [0,0,0,1,0,0|0,1,0]=2 293 B10R2.7 C1=CC2=C(C=C1)SC=C2 NO16362 [0,0,0,1,0,0|0,0,2]=3 294 B10R2.7 C1=CC2=C(C=C1)SC=N2 NO10992 [0,0,0,1,0,0|1,0,1]=3 295 B10R2.7 C1=CC2=C(C=CS2)C=N1 DY441330 [0,0,0,1,0,0|1,0,2]=4 296 B10R2.7 C1=CC2=C(C=N1)SC=N2 NO14769 [0,0,0,1,0,0|2,0,1]=4 297 B10R2.7 C1=CC2=CC=NC=C2S1 NO13198 [0,0,0,1,0,0|1,0,2]=4 298 B10R2.7 C1=CC2=CNN=C2C=C1 DY761306 [0,0,0,1,0,0|2,0,1]=4 299 B10R2.7 C1=CC2=NCCN2C=C1 DY760292 [0,0,0,1,0,0|2,0,0]=3 300 B10R2.7 C1=CC2=NNN=C2C=C1 DY673386 [0,0,0,1,0,0|3,0,0]=4 301 B10R2.7 C1=CC2=NON=C2C=C1 NO10977 [0,0,0,1,0,0|3,0,0]=4 302 B10R2.7 C1=CC2=NSN=C2C=C1 NO22942 [0,0,0,1,0,0|3,0,0]=4 303 B10R2.7 C1=CC=C2CC=CC2=C1 DY20914 [0,0,0,1,0,0|1,0,1]=3 304 B10R2.7 C1=CC=C2CNCC2=C1 NO11516 [0,0,0,1,0,0|2,0,0]=3 305 B10R2.7 C1=CC=C2NC=CC2=C1 NO11496 [0,0,0,1,0,0|1,0,2]=4 306 B10R2.7 C1=CC=C2NCCC2=C1 NO19084 [0,0,0,1,0,0|1,0,0]=2 307 B10R2.7 C1=CC=C2NN=CC2=C1 NO11488 [0,0,0,1,0,0|2,0,1]=4 308 B10R2.7 C1=CC=C2OC=CC2=C1 NO11169 [0,0,0,1,0,0|0,1,2]=4 309 B10R2.7 C1=CN=C2CCCC2=C1 NO14838 [0,0,0,1,0,0|2,0,0]=3 310 B10R2.7 C1=CN=C2CCNC2=C1 DY107728 [0,0,0,1,0,0|2,0,0]=3 311 B10R2.7 C1=CN=C2CN=NC2=C1 DY675469 [0,0,0,1,0,0|3,0,0]=4 312 B10R2.7 C1=CN=C2CNCC2=C1 DY565581 [0,0,0,1,0,0|3,0,0]=4 313 B10R2.7 C1=CN=C2CNCC2=C1 NO15341 [0,0,0,1,0,0|3,0,0]=4 314 B10R2.7 C1=CN=C2SC=CC2=C1 NO14590 [0,0,0,1,0,0|1,0,2]=4 315 B10R2.7 C1=NC=C2N=NCC2=C1 NO18561 [0,0,0,1,0,0|3,0,0]=4 316 B10R2.7 C1=NC=C2NCCC2=C1 DY570663 [0,0,0,1,0,0|2,0,0]=3 317 B10R2.7 [C-]1=CSC2=CC=CC=C12 DY752635 [0,0,0,1,0,0|0,0,2]=3 318 B10R2.320 BrC1CC2=CC=CC=C21 DY539943 [0,0,0,1,0,0|1,0,0]=2 319 B8R1.8 CCCC1=NC=CN1 NO14621 [0,0,0,0,1,0|3,0,0]=4 320 B8R1.8 CSCC1=CC=CO1 DY523785 [0,0,0,0,1,0|3,0,0]=4 321 B8R1.8 ClCCC1=CNN=C1 DY20761 [0,0,0,0,1,0|3,0,0]=4 322 B8R1.8 N#CCC1=CC=CS1 NO22998 [0,0,0,0,1,0|2,0,1]=4 323 B8R1.8 N#CCC1=CSC=C1 NO13644 [0,0,0,0,1,0|2,0,1]=4 324 B8R1.8 NCCC1=CC=CN1 DY717219 [0,0,0,0,1,0|2,0,0]=3 325 B8R1.8 NCCC1=CN=CS1 DY785962 [0,0,0,0,1,0|3,0,0]=4 326 B8R1.8 NCCC1=CNC=N1 DY557493 [0,0,0,0,1,0|3,0,0]=4 327 B8R1.8 NCCC1=CNC=N1 NO18264 [0,0,0,0,1,0|3,0,0]=4 328 B8R1.8 NCCC1=CSC=C1 NO22098 [0,0,0,0,1,0|2,0,0]=3 329 B8R1.8 NCCC1=NC=CN1 DY725263 [0,0,0,0,1,0|3,0,0]=4 330 B8R1.8 NCCN1C=CC=N1 DY501807 [0,0,0,0,1,0|3,0,0]=4 331 B8R1.8 NNCC1=CC=CS1 DY607641 [0,0,0,0,1,0|3,0,0]=4 332 B8R1.8 O=CCC1=CC=CS1 NO17423 [0,0,0,0,1,0|1,1,1]=4 333 B8R1.8 OCCC1=CC=CS1 NO14939 [0,0,0,0,1,0|1,1,0]=3 334 B8R1.8 OCCC1=CN=CN1 DY726169 [0,0,0,0,1,0|2,1,0]=4 335 B8R1.8 OCCC1=CNC=N1 NO18186 [0,0,0,0,1,0|2,1,0]=4 336 B8R1.8 OCCC1=CNN=C1 NO18073 [0,0,0,0,1,0|2,1,0]=4 337 B8R1.8 OCCC1=CSC=C1 NO20858 [0,0,0,0,1,0|1,1,0]=3 338 B8R1.8 OCCC1=NC=CS1 DY578205 [0,0,0,0,1,0|2,1,0]=4 339 B8R1.8 OCCN1C=CN=C1 NO18191 [0,0,0,0,1,0|2,1,0]=4 340 B7R1.3 BrC1=CC=CN=C1 NO19218 [2,0,0,0,0,0|2,0,0]=4 341 B7R1.3 BrC1=CC=NC=C1 NO13376 [2,0,0,0,0,0|2,0,0]=4 342 B7R1.3 BrC1=NC=CC=C1 NO17815 [2,0,0,0,0,0|2,0,0]=4 343 B7R1.3 CC1=CC=CN=N1 NO22374 [2,0,0,0,0,0|2,0,0]=4 344 B7R1.3 CC1=CN=CN=C1 NO18851 [2,0,0,0,0,0|2,0,0]=4 345 B7R1.3 CC1=CN=NC=C1 NO22983 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.3 CC1=NC=NC=C1 NO19795 [2,0,0,0,0,0|2,0,0]=4 347 B7R1.3 C[N+]1=CC=CC=C1 NO17683 [2,0,0,0,0,0|1,0,0]=3 348 B7R1.3 ClC1=CC=NC=C1 DY715154 [2,0,0,0,0,0|2,0,0]=4 349 B7R1.3 ClC1=CC=NC=C1 NO13378 [2,0,0,0,0,0|2,0,0]=4 350 B7R1.3 ClC1=NC=CC=C1 DY20672 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.3 FC1=CC=CC=C1 DY41489 [2,0,0,0,0,0|1,0,0]=3 352 B7R1.3 FC1=CC=CN=C1 DY20006 [2,0,0,0,0,0|2,0,0]=4 353 B7R1.3 FC1=NC=CC=C1 DY20005 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.3 IC1=CC=CC=C1 NO19958 [2,0,0,0,0,0|1,0,0]=3 355 B7R1.3 IC1=NC=CC=C1 NO14565 [2,0,0,0,0,0|2,0,0]=4 356 B7R1.3 NC1=CC=CN=C1 NO19073 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.3 NC1=CC=NC=C1 DY20017 [2,0,0,0,0,0|2,0,0]=4 358 B7R1.3 O=C1C=CC=CN1 NO18724 [2,0,0,0,0,0|1,1,0]=4 359 B7R1.3 O=c1ccocc1 DY460890 [2,0,0,0,0,0|1,1,0]=4 360 B7R1.3 OC1=CC=CN=C1 NO17813 [2,0,0,0,0,0|1,1,0]=4 361 B7R1.3 OC1=CC=NC=C1 NO19216 [2,0,0,0,0,0|1,1,0]=4 362 B7R1.3 OC1=NC=CC=C1 NO21602 [2,0,0,0,0,0|1,1,0]=4 363 B7R1.3 SC1=CC=CN=N1 DY546327 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.3 [15NH2]C1=CC=CC=C1 DY454761 [2,0,0,0,0,0|1,0,0]=3 365 B7R1.3 [Hg+]C1=CC=CC=C1 DY822438 [2,0,0,0,0,0|1,0,0]=3 366 B9R1.1 BrCC1=CC=C(Br)C=C1 NO19166 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.1 BrCC1=CC=C(I)C=C1 NO20172 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.1 BrCC1=CN=C(Br)C=C1 DY655150 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.1 CC1=CC=C(C#N)C=C1 NO19807 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.1 CC1=CC=C(CBr)C=C1 NO22969 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.1 CC1=CC=C(CCl)C=C1 DY40603 [1,1,0,0,0,0|1,0,0]=3 372 B9R1.1 CC1=CC=C(CN)C=C1 NO22970 [1,1,0,0,0,0|1,0,0]=3 373 B9R1.1 CC1=CC=C(CO)C=C1 NO19704 [1,1,0,0,0,0|0,1,0]=3 374 B9R1.1 CC1=CC=C(CO)C=N1 DY21041 [1,1,0,0,0,0|1,1,0]=4 375 B9R1.1 CC1=CC=C(NN)C=C1 NO19576 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.1 CC1=CN=C(CN)C=C1 DY711847 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.1 CC1=CN=C(CN)C=C1 NO18319 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.1 CC1=NC=C(CCl)C=C1 DY585961 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.1 CCC1=CC=C(Br)C=C1 NO10865 [1,1,0,0,0,0|0,0,0]=2 380 B9R1.1 CCC1=CC=C(Cl)C=C1 DY584444 [1,1,0,0,0,0|0,0,0]=2 381 B9R1.1 CCC1=CC=C(F)C=C1 DY20965 [1,1,0,0,0,0|0,0,0]=2 382 B9R1.1 CCC1=CC=C(I)C=C1 DY20189 [1,1,0,0,0,0|0,0,0]=2 383 B9R1.1 CCC1=CC=C(N)C=N1 DY515529 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.1 CCC1=CC=C(O)C=C1 DY20188 [1,1,0,0,0,0|0,0,0]=2 385 B9R1.1 CCC1=CN=C(Br)C=C1 NO13124 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.1 CCC1=CN=C(C)C=C1 DY20566 [1,1,0,0,0,0|1,0,0]=3 387 B9R1.1 CCC1=CN=C(N)C=C1 DY585943 [1,1,0,0,0,0|1,0,0]=3 388 B9R1.1 CCC1=CN=C(N)N=C1 NO14255 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [1,1,0,0,0,0|1,0,0]=3 390 B9R1.1 CCC1=NC=C(Br)C=C1 NO12376 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.1 CCC1=NC=C(Br)C=N1 NO13125 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 CCC1=NC=C(C)N=C1 DY710647 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.1 CCC1=NC=C(I)C=N1 DY693478 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 CNC1=CC=C(I)C=C1 NO22906 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.1 CNC1=NC=C(Br)C=C1 NO10304 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.1 CNC1=NC=C(F)C=C1 DY711535 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.1 COC1=CC=C(N)C=C1 DY584663 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.1 COC1=CC=C(N)C=C1 NO18580 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.1 COC1=CC=C(N)C=N1 NO19527 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.1 COC1=CC=C(O)C=C1 NO22939 [1,1,0,0,0,0|1,0,0]=3 401 B9R1.1 COC1=CC=[N+]([O-])C=C1 NO18613 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.1 COC1=CN=C(Br)C=C1 NO13470 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.1 COC1=CN=C(N)C=C1 NO17791 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.1 COC1=CNC(=O)C=C1 DY563727 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.1 COC1=NC=C(Br)C=C1 DY716534 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.1 COC1=NC=C(Br)C=C1 NO22030 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.1 COC1=NC=C(C)C=C1 NO21644 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.1 COC1=NC=C(Cl)C=C1 NO17976 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 COC1=NC=C(I)C=C1 NO21641 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 CSC1=CC=C(I)C=C1 DY585121 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.1 CSC1=CC=C(N)C=N1 DY547125 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.1 CSC1=CC=C(O)C=C1 DY20743 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.1 CSC1=NC=C(Cl)C=C1 DY454120 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.1 ClC1=CN=C(CBr)C=C1 NO16112 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.1 ClC1=CN=C(CBr)C=C1 NO17526 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.1 ClCC1=CC=C(Br)C=C1 NO19167 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.1 ClCC1=CC=C(Cl)C=C1 NO19806 [1,1,0,0,0,0|1,0,0]=3 418 B9R1.1 ClCC1=NC=C(Cl)C=C1 DY446951 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.1 FC1=CC=C(CBr)C=C1 NO19071 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.1 FC1=NC=C(CBr)C=C1 NO13268 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.1 FCC1=CC=C(Br)C=C1 DY555441 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.1 N#CC1=CC=C(Br)C=C1 NO19210 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.1 N#CC1=CC=C(Cl)C=C1 NO19211 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.1 N#CC1=CC=C(F)C=C1 NO18637 [1,1,0,0,0,0|1,0,1]=4 425 B9R1.1 N#CC1=CC=C(I)C=C1 NO22010 [1,1,0,0,0,0|1,0,1]=4 426 B9R1.1 N#CC1=CC=C(N)C=C1 NO13395 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.1 N#CC1=CC=C(O)C=C1 NO15887 [1,1,0,0,0,0|1,0,1]=4 428 B9R1.1 N#CC1=CC=C(S)C=C1 DY551463 [1,1,0,0,0,0|1,0,1]=4 429 B9R1.1 NC1=CC=C(C=O)C=C1 DY20423 [1,1,0,0,0,0|0,1,1]=4 430 B9R1.1 NCC1=CC=C(Br)C=C1 NO19587 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.1 NCC1=CC=C(Br)N=C1 NO11090 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.1 NCC1=CC=C(Cl)N=C1 NO16390 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.1 NCC1=CC=C(F)C=C1 NO18721 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.1 NCC1=CC=C(N)C=N1 NO10590 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.1 NCC1=CC=C(O)C=C1 NO22886 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.1 NCC1=CNC(=O)C=C1 DY585975 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.1 NCC1=NC=C(F)C=C1 DY430169 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.1 NCC1=NC=C(F)C=C1 NO16554 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.1 NNC1=CC=C(Br)C=C1 NO15342 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.1 NNC1=CC=C(Cl)C=C1 NO13495 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.1 NNC1=CC=C(F)C=C1 NO22006 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 O=C1C=CC(CO)=CN1 NO19816 [1,1,0,0,0,0|1,1,0]=4 443 B9R1.1 O=CC1=CC=C(Br)C=C1 NO18612 [1,1,0,0,0,0|0,1,1]=4 444 B9R1.1 O=CC1=CC=C(Cl)C=C1 NO14843 [1,1,0,0,0,0|0,1,1]=4 445 B9R1.1 O=CC1=CC=C(F)C=C1 NO19072 [1,1,0,0,0,0|0,1,1]=4 446 B9R1.1 O=CC1=CC=C(I)C=C1 NO20133 [1,1,0,0,0,0|0,1,1]=4 447 B9R1.1 O=CC1=CC=C(O)C=C1 NO18686 [1,1,0,0,0,0|0,1,1]=4 448 B9R1.1 OCC1=CC=C(Br)C=C1 NO19378 [1,1,0,0,0,0|0,1,0]=3 449 B9R1.1 OCC1=CC=C(Cl)C=C1 NO19353 [1,1,0,0,0,0|0,1,0]=3 450 B9R1.1 OCC1=CC=C(O)C=C1 NO19212 [1,1,0,0,0,0|0,1,0]=3 451 B9R1.1 OCC1=CN=C(Cl)C=C1 DY20657 [1,1,0,0,0,0|1,1,0]=4 452 B9R1.1 OCC1=NC=C(Br)C=C1 NO23005 [1,1,0,0,0,0|1,1,0]=4 453 B9R1.1 OCC1=NC=C(Cl)C=C1 NO21758 [1,1,0,0,0,0|1,1,0]=4 454 B9R1.1 OCC1=NC=C(F)C=C1 NO10382 [1,1,0,0,0,0|1,1,0]=4 455 B9R1.2 BrCC1=CC=CC(Br)=C1 NO19344 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.2 C#CC1=CC(F)=CC=C1 NO20642 [1,1,0,0,0,0|0,0,2]=4 457 B9R1.2 C#CC1=CC=CC(N)=C1 NO10819 [1,1,0,0,0,0|0,0,2]=4 458 B9R1.2 CC1=CC(CCl)=NC=C1 NO15442 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 CC1=CC(CN)=CC=C1 NO19644 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.2 CC1=CC(CO)=NC=C1 NO11126 [1,1,0,0,0,0|1,1,0]=4 461 B9R1.2 CC1=CC(NN)=CC=C1 NO19574 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.2 CC1=CC=CC(C#N)=C1 NO19778 [1,1,0,0,0,0|1,0,1]=4 463 B9R1.2 CC1=CC=CC(C=O)=C1 DY41127 [1,1,0,0,0,0|0,1,1]=4 464 B9R1.2 CC1=CC=CC(CCl)=N1 DY547749 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.2 CC1=CC=CC(CN)=N1 NO18414 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.2 CC1=CC=CC(CO)=N1 DY20920 [1,1,0,0,0,0|1,1,0]=4 467 B9R1.2 CC1=CN=CC(CCl)=C1 NO14445 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 CC1=CN=CC(CO)=C1 DY452566 [1,1,0,0,0,0|1,1,0]=4 469 B9R1.2 CCC1=CC(C)=CN=C1 DY657240 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.2 CCC1=CC=CC(Br)=N1 NO15322 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.2 CCC1=CC=CC(Cl)=C1 DY584271 [1,1,0,0,0,0|0,0,0]=2 472 B9R1.2 CCC1=CN=CC(Br)=C1 NO11907 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.2 CCC1=CN=CC(Cl)=N1 DY447143 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.2 CCC1=NC=CC(Br)=C1 DY658183 [1,1,0,0,0,0|1,0,0]=3 475 B9R1.2 CNC1=CC(Br)=CC=C1 NO22185 [1,1,0,0,0,0|1,0,0]=3 476 B9R1.2 CNC1=CC(Cl)=CC=C1 DY20486 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.2 CNC1=CC(I)=CC=C1 DY563655 [1,1,0,0,0,0|1,0,0]=3 478 B9R1.2 CNC1=CC(N)=CC=C1 NO16640 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.2 CNC1=CC=CC(O)=C1 DY442233 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.2 CNC1=NC=CC(F)=C1 DY714974 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.2 CNC1=NC=CC(I)=C1 DY452194 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.2 CNC1=NC=CC(N)=C1 NO16967 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.2 COC1=CC(Br)=NC=C1 NO16230 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.2 COC1=CC(C)=CN=C1 DY451846 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.2 COC1=CC(Cl)=NC=C1 NO19311 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.2 COC1=CC(F)=NC=C1 NO14826 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.2 COC1=CC(N)=NC=C1 NO19522 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.2 COC1=CC=CC(Br)=N1 NO14301 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.2 COC1=CC=CC(Cl)=C1 NO19894 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.2 COC1=CC=CC(Cl)=N1 NO13826 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 COC1=CC=CC(F)=C1 NO19929 [1,1,0,0,0,0|1,0,0]=3 492 B9R1.2 COC1=CC=CC(F)=N1 NO13652 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 COC1=CC=CC(I)=N1 NO18075 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.2 COC1=CC=CC(N)=C1 NO19943 [1,1,0,0,0,0|1,0,0]=3 495 B9R1.2 COC1=CC=CC(N)=N1 NO13845 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.2 COC1=CC=CC(O)=C1 NO18747 [1,1,0,0,0,0|1,0,0]=3 497 B9R1.2 COC1=CC=C[N+]([O-])=C1 NO22349 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.2 COC1=CN=CC(N)=C1 NO19973 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 COC1=CN=CC(O)=C1 NO17819 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.2 COC1=NC(C)=CC=C1 NO15396 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.2 COC1=NC=CC(Br)=C1 NO22650 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 COC1=NC=CC(C)=C1 NO21637 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 COC1=NC=CC(Cl)=C1 NO19313 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.2 COC1=NC=CC(F)=C1 NO11908 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.2 COC1=NC=CC(I)=C1 NO19594 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 COC1=NC=CC(N)=C1 NO19525 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.2 CSC1=CC(N)=CC=C1 DY20570 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.2 CSC1=CC(N)=NC=C1 DY657949 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.2 CSC1=CN=CC(Br)=C1 DY452608 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.2 CSC1=NC=CC(Cl)=C1 NO12493 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.2 ClC1=CC=CC(CBr)=C1 NO22235 [1,1,0,0,0,0|1,0,0]=3 512 B9R1.2 ClC1=NC=CC(CBr)=C1 DY657889 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.2 ClCC1=CC(Br)=CC=C1 DY40579 [1,1,0,0,0,0|1,0,0]=3 514 B9R1.2 ClCc1cccc(I)c1 DY585080 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.2 FC1=CC=CC(CBr)=N1 DY500445 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.2 FC1=CC=CC(CCl)=C1 NO19068 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.2 FCC1=CC(Br)=NC=C1 DY512247 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 N#CC1=CC(Br)=CC=C1 NO19865 [1,1,0,0,0,0|1,0,1]=4 519 B9R1.2 N#CC1=CC(Cl)=CC=C1 NO19319 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.2 N#CC1=CC(F)=CC=C1 DY20044 [1,1,0,0,0,0|1,0,1]=4 521 B9R1.2 N#CC1=CC(N)=CC=C1 NO13394 [1,1,0,0,0,0|1,0,1]=4 522 B9R1.2 N#CC1=CC(O)=CC=C1 NO19377 [1,1,0,0,0,0|1,0,1]=4 523 B9R1.2 NC1=CC(CBr)=CN=C1 DY659222 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 NC1=CC(CO)=NC=C1 DY33483 [1,1,0,0,0,0|1,1,0]=4 525 B9R1.2 NC1=CC=CC(CO)=C1 NO18821 [1,1,0,0,0,0|0,1,0]=3 526 B9R1.2 NC1=CC=CC(CO)=N1 NO16612 [1,1,0,0,0,0|1,1,0]=4 527 B9R1.2 NC1=CN=CC(CO)=C1 NO22079 [1,1,0,0,0,0|1,1,0]=4 528 B9R1.2 NC1=NC=CC(CO)=C1 NO17807 [1,1,0,0,0,0|1,1,0]=4 529 B9R1.2 NCC1=CC(Br)=CC=C1 NO19652 [1,1,0,0,0,0|1,0,0]=3 530 B9R1.2 NCC1=CC(Br)=NC=C1 NO17247 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 NCC1=CC(Cl)=CC=C1 DY33134 [1,1,0,0,0,0|1,0,0]=3 532 B9R1.2 NCC1=CC(Cl)=NC=C1 NO16037 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.2 NCC1=CC(I)=CC=C1 DY584527 [1,1,0,0,0,0|1,0,0]=3 534 B9R1.2 NCC1=CC(I)=CC=C1 NO22330 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.2 NCC1=CC=CC(=O)N1 DY582837 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 NCC1=CC=CC(O)=C1 DY745447 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.2 NCC1=NC(Br)=CC=C1 NO10635 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 NCC1=NC(Cl)=CC=C1 DY527445 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 NCC1=NC(F)=CC=C1 NO13193 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 NCC1=NC=CC(Br)=C1 NO12824 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 NCC1=NC=CC(Br)=C1 NO15559 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 NNC1=CC(Br)=CC=C1 NO19465 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.2 NNC1=CC(Cl)=CC=C1 NO19479 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.2 NNC1=CC(F)=CC=C1 NO19485 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.2 O=C1C=CNC(CO)=C1 DY654576 [1,1,0,0,0,0|1,1,0]=4 546 B9R1.2 O=CC1=CC(Br)=CC=C1 NO18958 [1,1,0,0,0,0|0,1,1]=4 547 B9R1.2 O=CC1=CC(Cl)=CC=C1 DY20579 [1,1,0,0,0,0|0,1,1]=4 548 B9R1.2 O=CC1=CC(F)=CC=C1 NO22298 [1,1,0,0,0,0|0,1,1]=4 549 B9R1.2 O=CC1=CC(I)=CC=C1 NO20132 [1,1,0,0,0,0|0,1,1]=4 550 B9R1.2 O=CC1=CC(O)=CC=C1 DY20422 [1,1,0,0,0,0|0,1,1]=4 551 B9R1.2 OCC1=CC(Br)=CN=C1 NO18272 [1,1,0,0,0,0|1,1,0]=4 552 B9R1.2 OCC1=CC(Br)=NC=C1 NO19256 [1,1,0,0,0,0|1,1,0]=4 553 B9R1.2 OCC1=CC(F)=CC=C1 NO19069 [1,1,0,0,0,0|0,1,0]=3 554 B9R1.2 OCC1=CC(F)=CN=C1 DY430713 [1,1,0,0,0,0|1,1,0]=4 555 B9R1.2 OCC1=NC(Br)=CC=C1 NO23004 [1,1,0,0,0,0|1,1,0]=4 556 B9R1.2 OCC1=NC(Cl)=CC=C1 NO10667 [1,1,0,0,0,0|1,1,0]=4 557 B9R1.2 OCC1=NC(Cl)=CC=C1 NO19907 [1,1,0,0,0,0|1,1,0]=4 558 B9R1.2 OCC1=NC=CC(Br)=C1 NO18696 [1,1,0,0,0,0|1,1,0]=4 559 B9R1.2 OCC1=NC=CC(Cl)=C1 DY20517 [1,1,0,0,0,0|1,1,0]=4 560 B9R1.2 OCC1=NC=CC(O)=C1 NO17612 [1,1,0,0,0,0|1,1,0]=4 561 B9R1.2 [O-][n+]1cccc(CO)c1 DY567759 [1,1,0,0,0,0|1,1,0]=4 562 B9R1.6 CC(=O)C1=CC=CN=C1 NO18256 [1,1,0,0,0,0|1,0,1]=4 563 B9R1.6 CC(=O)C1=CC=NC=C1 NO22535 [1,1,0,0,0,0|1,0,1]=4 564 B9R1.6 CC(=O)C1=NC=CC=C1 NO18611 [1,1,0,0,0,0|1,0,1]=4 565 B9R1.6 CC(Br)C1=NC=CN=C1 DY710527 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.6 CC(C)C1=NC=CC=C1 NO21621 [1,1,0,0,0,0|1,0,0]=3 567 B9R1.6 CC(N)C1=CC=CC=C1 DY457042 [1,1,0,0,0,0|0,0,0]=2 568 B9R1.6 CC(N)C1=CC=CN=N1 DY526767 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.6 CC(N)C1=NC=CN=C1 NO12997 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.6 CC(O)C1=CN=CN=C1 DY572325 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.6 CC(O)C1=NC=CC=C1 NO20801 [1,1,0,0,0,0|1,0,0]=3 572 B9R1.6 CN(C)C1=CC=NC=C1 NO13386 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.6 CS(=O)C1=CC=CC=C1 DY510356 [1,1,0,0,0,0|1,0,0]=3 574 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY553203 [1,1,0,0,0,0|1,0,0]=3 575 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY621669 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.6 C[C@@H](O)C1=NC=CC=C1 DY20310 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.6 C[C@@H](O)C1=NC=CC=N1 DY621675 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.6 C[C@H](N)C1=CC=CN=C1 DY546027 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.6 C[C@H](N)C1=NC=CC=C1 NO15370 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.6 C[C@H](O)C1=CC=CN=N1 DY586498 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.6 C[PH](=O)C1=CC=CC=C1 NO16386 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.6 C[S@@](=O)C1=CC=CC=C1 DY621380 [1,1,0,0,0,0|1,0,0]=3 583 B9R1.6 ClP(Cl)C1=CC=CC=C1 DY822051 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.6 N=C(N)C1=CC=CC=C1 NO14830 [1,1,0,0,0,0|1,0,1]=4 585 B9R1.6 O=C(Br)C1=CC=CC=C1 DY585100 [1,1,0,0,0,0|0,1,1]=4 586 B9R1.6 O=C(Cl)C1=CC=CC=C1 DY40435 [1,1,0,0,0,0|0,1,1]=4 587 B9R1.6 O=C([O-])C1=CC=CC=C1 DY558819 [1,1,0,0,0,0|0,1,1]=4 588 B9R1.6 O=[PH](O)C1=CC=CC=C1 DY532299 [1,1,0,0,0,0|1,1,0]=4 589 B9R1.6 OB(O)C1=CC=CC=C1 NO19450 [1,1,0,0,0,0|1,1,0]=4 590 B9R1.15 BrCC1=C(Br)C=CC=C1 DY20808 [1,1,0,0,0,0|1,0,0]=3 591 B9R1.15 BrCC1=C(Br)C=NC=C1 DY656944 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.15 BrCC1=C(I)C=CC=C1 DY40561 [1,1,0,0,0,0|1,0,0]=3 593 B9R1.15 C#CC1=C(Cl)C=CC=C1 NO20629 [1,1,0,0,0,0|0,0,2]=4 594 B9R1.15 C#CC1=C(N)C=CC=C1 NO21537 [1,1,0,0,0,0|0,0,2]=4 595 B9R1.15 C#CC1=C(O)C=CC=C1 NO21538 [1,1,0,0,0,0|0,0,2]=4 596 B9R1.15 C=CC1=C(Br)C=CC=C1 NO18853 [1,1,0,0,0,0|0,0,2]=4 597 B9R1.15 C=CC1=C(Cl)C=CC=C1 NO19873 [1,1,0,0,0,0|0,0,2]=4 598 B9R1.15 CC1=C(CBr)C=CC=C1 NO14791 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.15 CC1=C(CBr)C=NC=C1 DY656650 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.15 CC1=C(CBr)C=NC=C1 NO17496 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.15 CC1=C(CN)C=NC=C1 NO20204 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.15 CC1=C(NN)C=CC=C1 DY788973 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.15 CC1=C(NN)C=CC=C1 NO19575 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.15 CC1=CC=CC=C1C=O NO19114 [1,1,0,0,0,0|0,1,1]=4 605 B9R1.15 CC1=CC=CN=C1CCl NO15725 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.15 CC1=CC=CN=C1CO NO19225 [1,1,0,0,0,0|1,1,0]=4 607 B9R1.15 CC1=NC=CC=C1CBr DY520989 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 CC1=NC=CC=C1CO NO20145 [1,1,0,0,0,0|1,1,0]=4 609 B9R1.15 CCC1=C(Br)C=CC=C1 NO20980 [1,1,0,0,0,0|0,0,0]=2 610 B9R1.15 CCC1=C(C)C=CC=C1 NO21536 [1,1,0,0,0,0|0,0,0]=2 611 B9R1.15 CCC1=C(I)C=CC=C1 DY534201 [1,1,0,0,0,0|0,0,0]=2 612 B9R1.15 CCC1=C(N)C=NC=C1 DY658535 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.15 CCC1=CC=CN=C1C DY522489 [1,1,0,0,0,0|1,0,0]=3 614 B9R1.15 CCC1=CN=CN=C1Cl DY559413 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 CCC1=NC=CN=C1Cl NO21430 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 CCC1=NC=NC=C1F NO19573 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.15 CNC1=C(Br)C=CC=C1 DY584260 [1,1,0,0,0,0|1,0,0]=3 618 B9R1.15 CNC1=C(F)C=CC=C1 NO13895 [1,1,0,0,0,0|1,0,0]=3 619 B9R1.15 CNC1=C(N)C=NC=C1 DY10330 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 CNC1=CC=CC=C1N NO22302 [1,1,0,0,0,0|1,0,0]=3 621 B9R1.15 CNC1=NC=CC=C1Br NO17281 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 COC1=C(Br)C=CC=C1 NO19150 [1,1,0,0,0,0|1,0,0]=3 623 B9R1.15 COC1=C(Br)C=CN=C1 NO14715 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 COC1=C(Br)C=NC=C1 NO18491 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 COC1=C(C)C=CC=C1 DY561483 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.15 COC1=C(Cl)C=CN=C1 DY442708 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 COC1=C(F)C=CC=C1 NO19904 [1,1,0,0,0,0|1,0,0]=3 628 B9R1.15 COC1=C(F)C=NC=C1 NO16194 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 COC1=C(I)C=NC=C1 NO18542 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 COC1=C(N)C=CC=C1 NO11812 [1,1,0,0,0,0|1,0,0]=3 631 B9R1.15 COC1=C(N)C=CN=C1 NO22564 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 COC1=C(N)C=NC=C1 NO18248 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.15 COC1=C(O)C=NC=C1 DY586059 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.15 COC1=CC=CN=C1Br NO19255 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.15 COC1=CC=CN=C1Cl NO19305 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.15 COC1=CC=CN=C1F NO13044 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.15 COC1=CC=CN=C1N NO17216 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.15 COC1=NC=CC=C1Br DY715700 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 COC1=NC=CC=C1Br NO19258 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.15 COC1=NC=CC=C1Cl NO18705 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 COC1=NC=CC=C1F NO19564 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.15 COC1=NC=CC=C1I NO13512 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.15 COC1=NC=CC=C1N NO19526 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.15 CSC1=CC=CN=C1Cl DY452032 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.15 ClC1=C(CBr)C=CC=C1 NO19190 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.15 ClC1=CC=CN=C1CBr DY116292 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.15 ClCC1=C(Br)C=CC=C1 DY584533 [1,1,0,0,0,0|1,0,0]=3 648 B9R1.15 ClCC1=C(Cl)C=CC=C1 NO19964 [1,1,0,0,0,0|1,0,0]=3 649 B9R1.15 ClCC1=NC=CC=C1Br DY656902 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.15 FC1=C(CBr)C=CC=C1 NO21562 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.15 N#CC1=C(Br)C=CC=C1 DY20182 [1,1,0,0,0,0|1,0,1]=4 652 B9R1.15 N#CC1=C(F)C=CC=C1 NO18285 [1,1,0,0,0,0|1,0,1]=4 653 B9R1.15 N#CC1=C(I)C=CC=C1 NO21883 [1,1,0,0,0,0|1,0,1]=4 654 B9R1.15 N#CC1=C(N)C=CC=C1 NO13393 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.15 N#CC1=C(O)C=CC=C1 NO19191 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.15 NC1=C(C=O)C=CC=C1 DY20756 [1,1,0,0,0,0|0,1,1]=4 657 B9R1.15 NC1=C(CO)C=CC=C1 NO19122 [1,1,0,0,0,0|0,1,0]=3 658 B9R1.15 NC1=NC=CC=C1CO NO13983 [1,1,0,0,0,0|1,1,0]=4 659 B9R1.15 NCC1=C(Br)C=CC=C1 NO19534 [1,1,0,0,0,0|1,0,0]=3 660 B9R1.15 NCC1=C(Br)C=CN=C1 DY651253 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.15 NCC1=C(Br)C=NC=C1 NO17629 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.15 NCC1=C(F)C=CC=C1 DY40826 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.15 NCC1=C(N)C=CC=C1 DY40796 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.15 NCC1=C(N)C=NC=C1 DY574167 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.15 NCC1=C(O)C=CC=C1 NO20889 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.15 NCC1=C(O)C=CN=C1 DY656620 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.15 NCC1=CC=CN=C1F DY538641 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.15 NCC1=NC=CC=C1Br DY713191 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.15 NCC1=NC=CC=C1N DY654384 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.15 NNC1=C(Br)C=CC=C1 NO19466 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.15 NNC1=C(Cl)C=CC=C1 NO19478 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 NNC1=C(F)C=CC=C1 NO23033 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 O=CC1=C(F)C=CC=C1 DY794301 [1,1,0,0,0,0|0,1,1]=4 674 B9R1.15 O=CC1=C(F)C=CC=C1 NO21560 [1,1,0,0,0,0|0,1,1]=4 675 B9R1.15 O=CC1=C(I)C=CC=C1 NO20131 [1,1,0,0,0,0|0,1,1]=4 676 B9R1.15 O=CC1=C(O)C=CC=C1 DY41121 [1,1,0,0,0,0|0,1,1]=4 677 B9R1.15 OCC1=C(Br)C=CC=C1 NO18828 [1,1,0,0,0,0|0,1,0]=3 678 B9R1.15 OCC1=C(Br)C=NC=C1 NO12881 [1,1,0,0,0,0|1,1,0]=4 679 B9R1.15 OCC1=C(Cl)C=CC=C1 NO21494 [1,1,0,0,0,0|0,1,0]=3 680 B9R1.15 OCC1=C(Cl)C=CN=C1 NO17105 [1,1,0,0,0,0|1,1,0]=4 681 B9R1.15 OCC1=C(F)C=NC=C1 DY452008 [1,1,0,0,0,0|1,1,0]=4 682 B9R1.15 OCC1=C(I)C=CC=C1 NO19102 [1,1,0,0,0,0|0,1,0]=3 683 B9R1.15 OCC1=C(O)C=CC=C1 NO16243 [1,1,0,0,0,0|0,1,0]=3 684 B9R1.15 OCC1=CC=CN=C1Cl NO14328 [1,1,0,0,0,0|1,1,0]=4 685 B9R1.15 OCC1=CC=CN=C1F NO18697 [1,1,0,0,0,0|1,1,0]=4 686 B9R1.15 OCC1=NC=CC=C1Cl NO17318 [1,1,0,0,0,0|1,1,0]=4 687 B9R1.15 OCC1=NC=CC=C1O DY20200 [1,1,0,0,0,0|1,1,0]=4 688 B9R1.7 OCCC1=CC=C(Br)S1 DY447413 [0,1,0,0,1,0|1,1,0]=4 689 B9R1.11 N[C@H](CO)C1=CSC=C1 DY511965 [0,1,0,0,1,0|1,1,0]=4 690 B9R1.12 CCCCC1=CSC=C1 DY550173 [0,1,0,0,1,0|2,0,0]=4 691 B9R1.12 CCCCC1C=CC=C1 DY114482 [0,1,0,0,1,0|1,0,1]=4 692 B9R1.12 CCOCC1=CC=CO1 NO17009 [0,1,0,0,1,0|2,0,0]=4 693 B9R1.12 CSSCC1=CC=CO1 DY759446 [0,1,0,0,1,0|2,0,0]=4 694 B9R1.33 CN1C=CC=C1CCO DY106498 [0,1,0,0,1,0|1,1,0]=4 695 B11R1.1 BrCCOc1ccc(Br)cc1 DY452404 [0,2,0,0,0,0|1,0,0]=3 696 B11R1.1 CCCCC1=CC=C(C)C=C1 DY791931 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.1 CCCCC1=CN=C(C)C=C1 DY797679 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.1 CCNCC1=CC=C(Br)N=C1 DY663002 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.1 CCOCC1=CC=C(N)C=C1 DY575247 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.1 CCOCC1=CC=C(O)C=C1 NO16541 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.1 CCOCC1=CN=C(Br)C=C1 DY716528 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.1 CNCCC1=CC=C(Cl)C=C1 DY794949 [0,2,0,0,0,0|1,0,0]=3 703 B11R1.1 COCOC1=CC=C(C)C=C1 DY449074 [0,2,0,0,0,0|1,1,0]=4 704 B11R1.1 COCOC1=CC=C(Cl)C=C1 DY449092 [0,2,0,0,0,0|1,1,0]=4 705 B11R1.1 COCOC1=CC=C(F)C=C1 DY449098 [0,2,0,0,0,0|1,1,0]=4 706 B11R1.1 ClC1=CC=C(OCCBr)C=C1 DY20815 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.1 N#CCSC1=CC=C(F)C=C1 DY792519 [0,2,0,0,0,0|1,0,1]=4 708 B11R1.1 NCCCC1=CC=C(F)C=C1 DY501891 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.1 OCCCC1=CC=C(Cl)C=C1 DY797043 [0,2,0,0,0,0|0,1,0]=3 710 B11R1.1 OCCCC1=CC=C(O)C=C1 DY502467 [0,2,0,0,0,0|0,1,0]=3 711 B11R1.1 OCCSC1=NC=C(Cl)C=C1 DY653586 [0,2,0,0,0,0|1,1,0]=4 712 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 DY10315 [0,2,0,0,0,0|0,1,1]=4 713 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 NO22844 [0,2,0,0,0,0|0,1,1]=4 714 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 DY433485 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 DY798087 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.20 CC(C)NC1=CC=C(F)C=C1 NO22842 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.20 CC(C)OC1=CC=C(N)C=C1 NO10912 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 DY797913 [0,2,0,0,0,0|0,1,1]=4 719 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 NO21084 [0,2,0,0,0,0|0,1,1]=4 720 B11R1.20 FC(F)Oc1ccc(Br)cc1 NO19168 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 NO21002 [0,2,0,0,0,0|0,1,1]=4 722 B11R1.20 NC1=CC=C(OC(F)F)C=C1 NO13962 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 NO20812 [0,2,0,0,0,0|0,1,1]=4 724 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 NO10817 [0,2,0,0,0,0|0,1,1]=4 725 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 NO20852 [0,2,0,0,0,0|0,1,1]=4 726 B11R1.22 CC(CO)C1=CC=C(Br)C=C1 DY454677 [0,2,0,0,0,0|0,1,0]=3 727 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 DY563697 [0,2,0,0,0,0|1,0,1]=4 728 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 NO22698 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 NO22795 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 NO22846 [0,2,0,0,0,0|1,0,1]=4 731 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 DY584618 [0,2,0,0,0,0|1,0,1]=4 732 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 NO15690 [0,2,0,0,0,0|1,0,1]=4 733 B11R1.22 CCC(=O)C1=CC=C(S)C=C1 DY747823 [0,2,0,0,0,0|1,0,1]=4 734 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 NO18281 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.22 CCC(N)C1=CC=C(O)C=C1 DY605123 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 DY621657 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 DY623735 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.22 C[C@H](CO)C1=CC=C(F)C=C1 DY624193 [0,2,0,0,0,0|0,1,0]=3 739 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 NO10839 [0,2,0,0,0,0|1,0,1]=4 740 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 DY570813 [0,2,0,0,0,0|1,0,1]=4 741 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 NO20894 [0,2,0,0,0,0|1,0,1]=4 742 B11R1.22 NCC(O)C1=CC=C(F)C=C1 DY746641 [0,2,0,0,0,0|1,0,0]=3 743 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 DY507920 [0,2,0,0,0,0|0,1,0]=3 744 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 NO19445 [0,2,0,0,0,0|1,0,1]=4 745 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 NO20678 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 NO10771 [0,2,0,0,0,0|1,0,1]=4 747 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 NO14324 [0,2,0,0,0,0|1,0,1]=4 748 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 DY41236 [0,2,0,0,0,0|1,0,1]=4 749 B11R1.81 CCOC1=C(N)C=C(C)C=C1 DY584348 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.81 CCOC1=C(O)C=C(Cl)C=C1 DY451090 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 DY822069 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.81 N#CCC1=C(Br)C=C(Cl)C=C1 DY40754 [0,2,0,0,0,0|1,0,1]=4 753 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 NO13698 [0,2,0,0,0,0|1,0,1]=4 754 B11R1.81 N#CCC1=C(Cl)C=C(Cl)C=C1 NO15393 [0,2,0,0,0,0|1,0,1]=4 755 B11R1.81 N#CCC1=C(Cl)C=C(F)C=C1 NO20640 [0,2,0,0,0,0|1,0,1]=4 756 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 NO22644 [0,2,0,0,0,0|1,0,1]=4 757 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 NO10683 [0,2,0,0,0,0|1,0,1]=4 758 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 DY557865 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 DY584702 [0,2,0,0,0,0|0,1,0]=3 760 B11R1.83 C#CC1=CC=C(CC#N)C=C1 DY550389 [0,2,0,0,0,0|1,0,1]=4 761 B11R1.83 C#CC1=CC=C(OCC)C=C1 NO11063 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.83 C#CCC1=CC=C(OC)C=C1 DY519381 [0,2,0,0,0,0|1,0,1]=4 763 B11R1.83 C=CCC1=CC=C(OC)C=C1 DY521667 [0,2,0,0,0,0|1,0,1]=4 764 B11R1.83 CCC1=CC=C(CNN)C=C1 DY610819 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.83 CCC1=CN=C(CCO)C=C1 NO10373 [0,2,0,0,0,0|1,1,0]=4 766 B11R1.83 CCCC1=CC=C(CN)C=C1 NO10109 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.83 CCCC1=CC=C(CO)C=C1 DY584401 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.83 CCOC1=CC=C(C=O)C=C1 NO22818 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.83 CCOC1=CC=C(CO)C=C1 NO22820 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.83 CNCC1=CC=C(OC)C=C1 NO18429 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.83 COC1=CC=C(CC#N)C=C1 NO13459 [0,2,0,0,0,0|1,0,1]=4 772 B11R1.83 COC1=CC=C(CNN)C=C1 NO20199 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.83 COC1=CC=C(CON)C=C1 NO20566 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.83 N#CC1=CC=C(CCBr)C=C1 NO12532 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.83 N#CC1=CC=C(CCN)C=C1 NO22808 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.83 N#CC1=CC=C(CCO)C=C1 NO22434 [0,2,0,0,0,0|0,1,0]=3 777 B11R1.83 O=CC1=CC=C(CCO)C=C1 NO16581 [0,2,0,0,0,0|0,1,0]=3 778 B11R1.192 CC1=C(Br)C=C(CC#N)C=C1 DY584714 [0,2,0,0,0,0|1,0,1]=4 779 B11R1.192 CC1=C(F)C=CC(CC#N)=C1 DY40778 [0,2,0,0,0,0|1,0,1]=4 780 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 NO16022 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 NO11711 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.192 CNCC1=CC=C(O)C(O)=C1 DY502761 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 DY584641 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.192 Fc1ccc(C[Zn]Br)cc1F DY794193 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 NO20633 [0,2,0,0,0,0|1,0,1]=4 786 B11R1.192 N#CCC1=CC(Cl)=C(F)C=C1 NO18657 [0,2,0,0,0,0|1,0,1]=4 787 B11R1.192 N#CCC1=CC(F)=C(Br)C=C1 NO15044 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 NO21933 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.192 NCCC1=CC(F)=C(F)C=C1 DY584648 [0,2,0,0,0,0|1,0,0]=3 790 B11R1.192 NCCC1=CC=C(O)C(O)=C1 NO15345 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.192 O=CCC1=CC(O)=C(O)C=C1 DY745117 [0,2,0,0,0,0|0,1,1]=4 792 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 NO21932 [0,2,0,0,0,0|0,1,0]=3 793 B11R1.192 OCCC1=CC(Cl)=C(F)C=C1 DY584825 [0,2,0,0,0,0|0,1,0]=3 794 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 DY584900 [0,2,0,0,0,0|0,1,0]=3 795 B11R1.13 CC1=C(CC#N)C=CC=C1Br DY584724 [0,2,0,0,0,0|1,0,1]=4 796 B11R1.13 CC1=C(CC#N)C=CC=C1F DY585162 [0,2,0,0,0,0|1,0,1]=4 797 B11R1.13 CC1=C(CC#N)C=CC=C1I DY584865 [0,2,0,0,0,0|1,0,1]=4 798 B11R1.13 CC1=CC=CC(CC#N)=C1Br DY584581 [0,2,0,0,0,0|1,0,1]=4 799 B11R1.13 CNCC1=C(Cl)C(Cl)=CC=C1 NO20112 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.13 CNCC1=C(F)C(Cl)=CC=C1 DY516897 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.13 N#CCC1=C(Br)C(Cl)=CC=C1 DY584930 [0,2,0,0,0,0|1,0,1]=4 802 B11R1.13 N#CCC1=C(Cl)C(Cl)=CC=C1 NO18973 [0,2,0,0,0,0|1,0,1]=4 803 B11R1.17 C=CCCC1=C(Br)C=NC=C1 DY431688 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 DY607155 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.17 CC1=C(OCC#N)C=CC=C1 NO14720 [0,2,0,0,0,0|1,0,1]=4 806 B11R1.17 CC1=C(OCCN)C=CC=C1 DY605519 [0,2,0,0,0,0|1,0,0]=3 807 B11R1.17 CCCOC1=C(O)C=CC=C1 DY20673 [0,2,0,0,0,0|1,0,0]=3 808 B11R1.17 N#CCCN1C=CC=CC1=O DY656416 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.17 NC1=CC=CN=C1NCCO DY653310 [0,2,0,0,0,0|1,1,0]=4 810 B11R1.17 OCCCC1=C(O)C=CC=C1 DY791619 [0,2,0,0,0,0|0,1,0]=3 811 B11R1.41 C#CC1=C(OCC)C=CC=C1 DY789147 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.41 CNCC1=C(OC)C=CC=C1 DY584503 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.41 COC1=C(CCO)C=CC=C1 NO15749 [0,2,0,0,0,0|0,1,0]=3 814 B11R1.41 COC1=C(CNN)C=CC=C1 DY610863 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.41 N#CC1=C(CON)C=CC=C1 DY574887 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 DY10294 [0,2,0,0,0,0|0,1,1]=4 817 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 DY10318 [0,2,0,0,0,0|0,1,1]=4 818 B11R1.86 CC(C)OC1=C(F)C=CC=C1 DY453190 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.86 CC(C)OC1=C(N)C=CC=C1 NO13469 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.86 CC(N)CC1=C(Cl)C=CC=C1 DY550599 [0,2,0,0,0,0|1,0,0]=3 821 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 NO21083 [0,2,0,0,0,0|0,1,1]=4 822 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 NO20995 [0,2,0,0,0,0|0,1,1]=4 823 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 NO20809 [0,2,0,0,0,0|0,1,1]=4 824 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 NO20826 [0,2,0,0,0,0|0,1,1]=4 825 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 NO20849 [0,2,0,0,0,0|0,1,1]=4 826 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 NO20941 [0,2,0,0,0,0|0,1,1]=4 827 B11R1.182 CC1=C(CC#N)C=C(Br)C=C1 DY584752 [0,2,0,0,0,0|1,0,1]=4 828 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 NO19339 [0,2,0,0,0,0|1,0,1]=4 829 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 NO21152 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.182 CC1=CC(CCO)=C(C)C=C1 DY40742 [0,2,0,0,0,0|0,1,0]=3 831 B11R1.182 CC1=CC(CNN)=C(C)C=C1 DY519153 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.182 CCOC1=C(Br)C=CC(C)=C1 DY451888 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 NO20424 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.182 CNCC1=C(F)C=CC(F)=C1 DY456646 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.182 N#CCC1=C(Br)C=CC(Br)=C1 DY585001 [0,2,0,0,0,0|1,0,1]=4 836 B11R1.182 N#CCC1=C(Cl)C=CC(Cl)=C1 NO18974 [0,2,0,0,0,0|1,0,1]=4 837 B11R1.182 N#CCC1=C(F)C=CC(Br)=C1 NO16321 [0,2,0,0,0,0|1,0,1]=4 838 B11R1.182 NCCC1=C(Br)C=CC(Cl)=C1 DY522951 [0,2,0,0,0,0|1,0,0]=3 839 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 DY795369 [0,2,0,0,0,0|1,0,0]=3 840 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 NO15813 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.222 CCC(C)C1=C(N)C=CC=C1 NO21765 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 NO14530 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 NO15388 [0,2,0,0,0,0|1,0,1]=4 844 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 DY746437 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.222 O=C(CBr)C1=C(Br)C=CC=C1 DY795819 [0,2,0,0,0,0|1,0,1]=4 846 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 NO14555 [0,2,0,0,0,0|1,0,1]=4 847 B11R1.605 CC1=CC=CC(C)=C1CC#N DY584747 [0,2,0,0,0,0|1,0,1]=4 848 B11R1.605 CNCC1=C(Cl)C=CC=C1F DY456652 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.605 N#CCC1=C(Br)C=CC=C1Br NO15982 [0,2,0,0,0,0|1,0,1]=4 850 B11R1.605 N#CCC1=C(Br)C=CC=C1Cl DY107158 [0,2,0,0,0,0|1,0,1]=4 851 B11R1.605 N#CCC1=C(Br)C=CC=C1F DY584853 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.605 N#CCC1=C(Cl)C=CC=C1Cl NO10675 [0,2,0,0,0,0|1,0,1]=4 853 B11R1.605 N#CCC1=C(Cl)C=CC=C1F NO10682 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.605 N#CCC1=C(F)C=CC=C1F NO10684 [0,2,0,0,0,0|1,0,1]=4 855 B11R1.605 NCCC1=C(F)C=CC=C1F DY822024 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.605 OCCC1=C(Cl)C=CC=C1F DY40736 [0,2,0,0,0,0|0,1,0]=3 857 B11R1.23 C=CC(O)C1=CC(Br)=CC=C1 DY745051 [0,2,0,0,0,0|1,0,1]=4 858 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 DY41278 [0,2,0,0,0,0|1,0,1]=4 859 B11R1.23 CCC(=O)C1=CC(C)=CC=C1 DY745657 [0,2,0,0,0,0|1,0,1]=4 860 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 DY41284 [0,2,0,0,0,0|1,0,1]=4 861 B11R1.23 CCC(N)C1=NC(C)=CC=C1 DY606027 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.23 CC[C@@H](N)C1=CC(Cl)=CC=C1 DY508850 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 DY585435 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.23 CN[C@H](C)C1=CC(F)=CC=C1 DY744907 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.23 NC(CO)C1=CC(Br)=CC=C1 DY535233 [0,2,0,0,0,0|0,1,0]=3 866 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 DY518181 [0,2,0,0,0,0|0,1,0]=3 867 B11R1.23 NCC(O)C1=CC=CC(O)=C1 DY556047 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 DY530577 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 DY741673 [0,2,0,0,0,0|1,0,0]=3 870 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 DY513939 [0,2,0,0,0,0|0,1,0]=3 871 B11R1.23 N[C@H](CO)C1=CC(Cl)=CC=C1 DY563793 [0,2,0,0,0,0|0,1,0]=3 872 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 NO19056 [0,2,0,0,0,0|1,0,1]=4 873 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 NO15383 [0,2,0,0,0,0|1,0,1]=4 874 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 DY20163 [0,2,0,0,0,0|1,0,1]=4 875 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 DY584626 [0,2,0,0,0,0|1,0,1]=4 876 B11R1.24 CCCOC1=NC=CC(Br)=C1 DY430459 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.24 CCNCC1=CC=CC(O)=C1 DY579381 [0,2,0,0,0,0|1,0,0]=3 878 B11R1.24 CNCCC1=CC(C)=CC=C1 DY520263 [0,2,0,0,0,0|1,0,0]=3 879 B11R1.24 COCOC1=CC=CC(Cl)=C1 DY449110 [0,2,0,0,0,0|1,1,0]=4 880 B11R1.24 FC1=CC=CC(CN=C=S)=C1 DY41079 [0,2,0,0,0,0|0,0,2]=4 881 B11R1.24 FC1=CC=CC(OCCBr)=C1 DY574785 [0,2,0,0,0,0|1,0,0]=3 882 B11R1.24 N#CCOC1=CC(Cl)=CC=C1 DY744883 [0,2,0,0,0,0|1,0,1]=4 883 B11R1.24 NC1=CC=CC(OCCO)=C1 DY557451 [0,2,0,0,0,0|0,1,0]=3 884 B11R1.24 O=C=NCC1=CC(F)=CC=C1 DY790131 [0,2,0,0,0,0|0,1,1]=4 885 B11R1.24 OCCNC1=NC(Cl)=CC=C1 DY653604 [0,2,0,0,0,0|1,1,0]=4 886 B11R1.34 C#CCC1=CC(F)=CC(F)=C1 DY431174 [0,2,0,0,0,0|1,0,1]=4 887 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 NO20845 [0,2,0,0,0,0|1,0,1]=4 888 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 NO20643 [0,2,0,0,0,0|1,0,1]=4 889 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 NO16793 [0,2,0,0,0,0|1,0,0]=3 890 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 NO22187 [0,2,0,0,0,0|0,1,1]=4 891 B11R1.157 CC(C)CC1=CC=CC(N)=C1 DY822133 [0,2,0,0,0,0|1,0,0]=3 892 B11R1.157 CC(N)CC1=CC(Br)=CC=C1 DY511737 [0,2,0,0,0,0|1,0,0]=3 893 B11R1.157 FC(F)Oc1cccc(I)c1 DY585165 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.157 FC1=CC=CC(OC(F)F)=C1 DY722347 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.157 NC(=O)CC1=CC(Cl)=CC=C1 DY799707 [0,2,0,0,0,0|0,1,1]=4 896 B11R1.157 NC1=CC(OC(F)F)=CC=C1 NO13961 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 NO21911 [0,2,0,0,0,0|0,1,1]=4 898 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 NO10775 [0,2,0,0,0,0|0,1,1]=4 899 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 NO21923 [0,2,0,0,0,0|0,1,1]=4 900 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 NO20851 [0,2,0,0,0,0|0,1,1]=4 901 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 NO20944 [0,2,0,0,0,0|0,1,1]=4 902 B11R1.157 OB(O)CC1=CC(F)=CC=C1 DY706879 [0,2,0,0,0,0|1,1,0]=4 903 B11R1.157 OC1=CC(OC(F)F)=CC=C1 DY431656 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.189 CCOC1=CC=CC(C#N)=C1 DY584293 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.189 CCOC1=CC=CC(C=O)=C1 DY433437 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.189 COC1=CC=CC(CC#N)=C1 NO11040 [0,2,0,0,0,0|1,0,1]=4 907 B11R1.189 COC1=CC=CC(CCN)=C1 NO13916 [0,2,0,0,0,0|1,0,0]=3 908 B11R1.189 COC1=CC=CC(CCO)=C1 NO22342 [0,2,0,0,0,0|0,1,0]=3 909 B11R1.189 COCC1=CC=CC(C#N)=C1 NO18233 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.189 COCC1=CC=CC(CN)=C1 NO15687 [0,2,0,0,0,0|2,0,0]=4 911 B11R1.189 N#CC1=CC(CNN)=CC=C1 DY686755 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.189 NCC1=CC=CC(CCO)=C1 NO17053 [0,2,0,0,0,0|0,1,0]=3 913 B11R1.7 CC(C)(CO)C1=CC=CC=C1 DY447077 [0,2,0,0,0,0|0,1,0]=3 914 B11R1.7 CCC(C)(C)C1=CC=CC=C1 DY460530 [0,2,0,0,0,0|1,0,0]=3 915 B11R1.12 CCC(CN)C1=CC=CC=C1 DY745495 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.12 CCC(NC)C1=CC=CN=C1 DY604352 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.12 CCN(CC)C1=CC=CC=C1 DY822061 [0,2,0,0,0,0|2,0,0]=4 918 B11R1.12 CC[C@@H](CO)C1=CC=CC=C1 DY622143 [0,2,0,0,0,0|0,1,0]=3 919 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 DY822222 [0,2,0,0,0,0|0,1,0]=3 920 B11R1.12 CN[C@H](C#N)C1=CC=CC=C1 DY518115 [0,2,0,0,0,0|1,0,1]=4 921 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 NO17955 [0,2,0,0,0,0|0,1,0]=3 922 B11R1.12 COC(OC)c1ccccc1 NO10959 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.12 N#CC(C#N)C1=CC=CC=C1 DY746965 [0,2,0,0,0,0|1,0,1]=4 924 B11R1.12 OCC(CO)C1=CC=CC=C1 NO21198 [0,2,0,0,0,0|0,1,0]=3 925 B11R1.16 CC(N=C=O)c1ccccc1 DY587056 [0,2,0,0,0,0|0,1,1]=4 926 B11R1.16 CCOC(=N)C1=CC=CC=C1 DY744223 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.16 CN(CCN)C1=CC=CC=C1 NO11704 [0,2,0,0,0,0|1,0,0]=3 928 B11R1.16 CNCC(=O)C1=CC=CC=C1 DY794643 [0,2,0,0,0,0|1,0,1]=4 929 B11R1.16 CNCC(O)C1=CC=CC=C1 DY446674 [0,2,0,0,0,0|1,0,0]=3 930 B11R1.16 CNCC(O)C1=CC=CN=C1 DY585887 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.16 COC[C@H](N)C1=CC=CN=C1 DY716756 [0,2,0,0,0,0|1,1,0]=4 932 B11R1.16 C[C@@H](N=C=S)c1ccccc1 DY543741 [0,2,0,0,0,0|0,0,2]=4 933 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 DY20438 [0,2,0,0,0,0|0,1,1]=4 934 B11R1.16 ClCCC(Cl)C1=CC=CC=C1 DY522237 [0,2,0,0,0,0|1,0,0]=3 935 B11R1.16 N#CCC(=O)C1=CC=CC=C1 NO10995 [0,2,0,0,0,0|1,0,1]=4 936 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 NO21217 [0,2,0,0,0,0|0,1,0]=3 937 B11R1.16 O=[P+](OCO)C1=CC=CC=C1 DY796893 [0,2,0,0,0,0|1,1,0]=4 938 B11R1.16 OC(CCCl)C1=CC=CC=C1 NO22197 [0,2,0,0,0,0|1,0,0]=3 939 B11R1.16 OCCC(O)C1=CC=NC=C1 DY548901 [0,2,0,0,0,0|1,1,0]=4 940 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 NO10897 [0,2,0,0,0,0|1,0,0]=3 941 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 DY20313 [0,2,0,0,0,0|1,0,0]=3 942 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 NO14544 [0,2,0,0,0,0|0,1,1]=4 943 B11R1.36 CC(C)C(O)C1=CC=NC=C1 DY531375 [0,2,0,0,0,0|2,0,0]=4 944 B11R1.36 CC(C)C(O)c1ccccc1 DY822221 [0,2,0,0,0,0|1,0,0]=3 945 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 DY567369 [0,2,0,0,0,0|1,0,0]=3 946 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 DY625015 [0,2,0,0,0,0|1,0,0]=3 947 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 DY789267 [0,2,0,0,0,0|1,0,1]=4 948 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 NO10890 [0,2,0,0,0,0|0,1,1]=4 949 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 DY620130 [0,2,0,0,0,0|0,1,0]=3 950 B11R1.36 ClC(Cl)C(Cl)C1=CC=CC=C1 DY530469 [0,2,0,0,0,0|1,0,0]=3 951 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 NO15488 [0,2,0,0,0,0|0,1,1]=4 952 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 NO14083 [0,2,0,0,0,0|0,1,1]=4 953 B11R1.36 N[C@@H](C(=O)Cl)C1=CC=CC=C1 NO15858 [0,2,0,0,0,0|0,1,1]=4 954 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 NO11192 [0,2,0,0,0,0|0,1,1]=4 955 B11R1.36 O=C(C1=CC=CC=C1)C(F)F DY552861 [0,2,0,0,0,0|1,0,1]=4 956 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 NO15279 [0,2,0,0,0,0|0,1,1]=4 957 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 NO10862 [0,2,0,0,0,0|0,1,1]=4 958 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 NO10861 [0,2,0,0,0,0|0,1,1]=4 959 B11R1.28 BrCCCCC1=CC=CC=C1 DY519843 [0,2,0,0,0,0|1,0,0]=3 960 B11R1.28 BrCCCOC1=CC=CC=C1 NO15031 [0,2,0,0,0,0|1,0,0]=3 961 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [0,2,0,0,0,0|1,0,0]=3 962 B11R1.28 C#CCNCC1=CC=CN=C1 DY516357 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [0,2,0,0,0,0|1,0,0]=3 964 B11R1.28 CCO\C=N\C1=CC=CC=C1 DY566853 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.28 CNCCOC1=CC=CC=C1 DY551817 [0,2,0,0,0,0|1,0,0]=3 966 B11R1.28 COCCSC1=NC=CC=C1 DY713737 [0,2,0,0,0,0|1,1,0]=4 967 B11R1.28 N#CCCCC1=CC=CC=C1 DY461028 [0,2,0,0,0,0|1,0,0]=3 968 B11R1.28 NCCCCC1=NC=CC=C1 DY603285 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [0,2,0,0,0,0|1,0,0]=3 970 B11R1.28 NOCOCC1=CC=CC=C1 DY798807 [0,2,0,0,0,0|0,1,0]=3 971 B11R1.28 O=CCCCC1=CC=CN=C1 DY657979 [0,2,0,0,0,0|1,1,0]=4 972 B11R1.28 OCCCCC1=CC=CC=C1 NO11170 [0,2,0,0,0,0|0,1,0]=3 973 B11R1.28 OCCCCC1=CC=NC=C1 NO13477 [0,2,0,0,0,0|1,1,0]=4 974 B11R1.28 OCCCCC1=NC=CC=C1 DY532905 [0,2,0,0,0,0|1,1,0]=4 975 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [0,2,0,0,0,0|0,1,0]=3 976 B11R1.40 CCC(=O)OC1=CC=CC=C1 DY584283 [0,2,0,0,0,0|1,0,1]=4 977 B11R1.40 CCC(N)CC1=CC=CC=C1 DY538887 [0,2,0,0,0,0|1,0,0]=3 978 B11R1.40 CNC(C)CC1=CC=NC=C1 DY716696 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.40 N#CC(N)CC1=CC=CC=C1 DY581085 [0,2,0,0,0,0|1,0,0]=3 980 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 DY569337 [0,2,0,0,0,0|1,0,0]=3 981 B11R1.40 NCC(O)CC1=CC=CC=C1 DY745903 [0,2,0,0,0,0|0,1,0]=3 982 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 DY425862 [0,2,0,0,0,0|0,1,0]=3 983 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 NO21216 [0,2,0,0,0,0|0,1,0]=3 984 B11R1.40 [C-]#[N+][C@@H](C)CC1=CC=CC=C1 DY744979 [0,2,0,0,0,0|1,0,0]=3 985 B11R1.91 CC(=O)CCC1=CC=CN=C1 DY560043 [0,2,0,0,0,0|1,1,0]=4 986 B11R1.91 CC(C)COC1=NC=CC=C1 DY655892 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.91 CC(C)\N=C\C1=CC=CC=C1 DY797541 [0,2,0,0,0,0|1,0,1]=4 988 B11R1.91 CC(O)CCC1=CC=CC=C1 DY746761 [0,2,0,0,0,0|0,1,0]=3 989 B11R1.91 N=C(N)CCC1=NC=CC=C1 DY459714 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.91 NC(=O)CCC1=NC=CC=C1 DY713935 [0,2,0,0,0,0|1,1,0]=4 991 B11R1.91 O=C(O)CCC1=CC=CC=C1 DY556977 [0,2,0,0,0,0|0,1,0]=3 992 B11R1.91 O=C(O)CNc1ccccc1 DY439073 [0,2,0,0,0,0|0,1,1]=4 993 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 NO20444 [0,2,0,0,0,0|0,1,0]=3 994 B11R1.91 OB(O)CCC1=CC=CC=C1 DY453988 [0,2,0,0,0,0|0,1,0]=3 995 B11R1.509 CC(C)(C)OC1=CC=CC=C1 DY585114 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 DY20424 [0,2,0,0,0,0|2,0,0]=4 997 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 DY744109 [0,2,0,0,0,0|2,0,0]=4 998 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 NO11014 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.509 FC(F)(F)OC1=CC=CC=C1 DY41392 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 NO20418 [0,2,0,0,0,0|1,1,0]=4 1001 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 NO20295 [0,2,0,0,0,0|1,1,0]=4 1002 B9R2.50 C1=CC=C2CCC2=C1 NO19267 [1,0,0,1,0,0|0,0,0]=2 1003 B9R2.3 C1=NC=C2SCN=C12 DY673404 [0,0,0,1,1,0|2,0,0]=4 1004 B11R2.34 BrC1=CC=C(C2CC2)C=C1 NO22811 [0,1,0,1,0,0|1,0,0]=3 1005 B11R2.34 BrC1=CN=C(C2CC2)C=C1 DY561543 [0,1,0,1,0,0|2,0,0]=4 1006 B11R2.34 CC1=CC=C(C2CC2)C=C1 DY789057 [0,1,0,1,0,0|1,0,0]=3 1007 B11R2.34 FC1=CC=C(C2CO2)C=C1 DY534555 [0,1,0,1,0,0|0,1,0]=3 1008 B11R2.34 NC1=CC=C(C2CC2)C=C1 DY548169 [0,1,0,1,0,0|1,0,0]=3 1009 B11R2.34 NC1=CC=C(C2CC2)C=C1 NO17100 [0,1,0,1,0,0|1,0,0]=3 1010 B11R2.34 OC1=NC=C(C2CC2)C=C1 DY508466 [0,1,0,1,0,0|2,0,0]=4 1011 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 NO10619 [0,1,0,1,0,0|1,0,1]=4 1012 B11R2.36 BrC1=CC2=C(C=C1)OCC2 DY20389 [0,1,0,1,0,0|0,1,0]=3 1013 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 DY20420 [0,1,0,1,0,0|0,0,2]=4 1014 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 NO10670 [0,1,0,1,0,0|0,0,2]=4 1015 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 NO10299 [0,1,0,1,0,0|1,0,1]=4 1016 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 NO12830 [0,1,0,1,0,0|0,0,2]=4 1017 B11R2.36 BrC1=CC=C2C=CCC2=C1 DY549009 [0,1,0,1,0,0|1,0,1]=4 1018 B11R2.36 BrC1=CC=C2CCNC2=C1 NO17623 [0,1,0,1,0,0|1,0,0]=3 1019 B11R2.36 BrC1=CC=C2CNCC2=C1 DY20658 [0,1,0,1,0,0|2,0,0]=4 1020 B11R2.36 BrC1=CC=C2CNCC2=C1 NO14408 [0,1,0,1,0,0|2,0,0]=4 1021 B11R2.36 BrC1=CC=C2NCCC2=C1 NO10836 [0,1,0,1,0,0|1,0,0]=3 1022 B11R2.36 BrC1=CN=C2CCCC2=C1 NO22164 [0,1,0,1,0,0|2,0,0]=4 1023 B11R2.36 BrC1=CN=C2NCCC2=C1 DY533421 [0,1,0,1,0,0|2,0,0]=4 1024 B11R2.36 BrC1=CN=C2NCCC2=C1 NO18623 [0,1,0,1,0,0|2,0,0]=4 1025 B11R2.36 Brc1ccc2c(c1)OCO2 NO19789 [0,1,0,1,0,0|1,1,0]=4 1026 B11R2.36 CC1=CC2=C(C=C1)SC=C2 DY447819 [0,1,0,1,0,0|0,0,2]=4 1027 B11R2.36 CC1=CC=C2CNCC2=C1 DY431420 [0,1,0,1,0,0|2,0,0]=4 1028 B11R2.36 CC1=CN2CCN=C2C=C1 DY760340 [0,1,0,1,0,0|2,0,0]=4 1029 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 NO20641 [0,1,0,1,0,0|0,0,2]=4 1030 B11R2.36 ClC1=CC2=C(C=C1)SC=N2 NO10346 [0,1,0,1,0,0|1,0,1]=4 1031 B11R2.36 ClC1=CC2=C(C=N1)CCN2 NO14935 [0,1,0,1,0,0|2,0,0]=4 1032 B11R2.36 ClC1=CC=C2CCNC2=C1 NO19407 [0,1,0,1,0,0|1,0,0]=3 1033 B11R2.36 ClC1=CC=C2CNCC2=C1 NO15340 [0,1,0,1,0,0|2,0,0]=4 1034 B11R2.36 ClC1=CC=C2NCCC2=C1 DY20079 [0,1,0,1,0,0|1,0,0]=3 1035 B11R2.36 ClC1=CC=C2NCCC2=C1 DY630382 [0,1,0,1,0,0|1,0,0]=3 1036 B11R2.36 FC1=CC2=C(C=C1)SC=C2 DY447807 [0,1,0,1,0,0|0,0,2]=4 1037 B11R2.36 FC1=CC=C2CCCC2=C1 NO16751 [0,1,0,1,0,0|1,0,0]=3 1038 B11R2.36 FC1=CC=C2CCNC2=C1 DY443334 [0,1,0,1,0,0|1,0,0]=3 1039 B11R2.36 FC1=CC=C2CNCC2=C1 DY459041 [0,1,0,1,0,0|2,0,0]=4 1040 B11R2.36 FC1=CC=C2CNCC2=C1 NO15207 [0,1,0,1,0,0|2,0,0]=4 1041 B11R2.36 IC1=CC2=C(C=C1)N=CS2 DY751921 [0,1,0,1,0,0|1,0,1]=4 1042 B11R2.36 IC1=CC2=C(C=C1)SC=N2 DY752005 [0,1,0,1,0,0|1,0,1]=4 1043 B11R2.36 IC1=CN=C2CCCC2=C1 DY675123 [0,1,0,1,0,0|2,0,0]=4 1044 B11R2.36 NC1=CC2=C(C=C1)CCO2 DY561471 [0,1,0,1,0,0|0,1,0]=3 1045 B11R2.36 NC1=CC2=C(C=C1)N=CS2 NO14835 [0,1,0,1,0,0|1,0,1]=4 1046 B11R2.36 NC1=CC2=C(C=C1)OCO2 NO20315 [0,1,0,1,0,0|1,1,0]=4 1047 B11R2.36 NC1=CC=C2CNCC2=C1 DY20849 [0,1,0,1,0,0|2,0,0]=4 1048 B11R2.36 NC1=CC=C2CNCC2=C1 DY555549 [0,1,0,1,0,0|2,0,0]=4 1049 B11R2.36 NC1=CC=C2NCCC2=C1 DY630744 [0,1,0,1,0,0|1,0,0]=3 1050 B11R2.36 NC1=CN=C2CCCC2=C1 DY100354 [0,1,0,1,0,0|2,0,0]=4 1051 B11R2.36 OC1=CC2=C(C=C1)CCO2 NO16031 [0,1,0,1,0,0|0,1,0]=3 1052 B11R2.36 OC1=CC2=C(C=C1)N=CS2 NO10613 [0,1,0,1,0,0|1,0,1]=4 1053 B11R2.36 OC1=CC=C2CCNC2=C1 DY630750 [0,1,0,1,0,0|1,0,0]=3 1054 B11R2.36 OC1=CC=C2CNCC2=C1 DY446903 [0,1,0,1,0,0|2,0,0]=4 1055 B11R2.10 BrC1=CC2=CC=CC=C2C1 NO21490 [0,1,0,1,0,0|1,0,1]=4 1056 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 NO14031 [0,1,0,1,0,0|1,0,1]=4 1057 B11R2.10 CC1=NC2=C(C=CC=C2)S1 NO21687 [0,1,0,1,0,0|1,0,1]=4 1058 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 DY541863 [0,1,0,1,0,0|1,0,0]=3 1059 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 NO20002 [0,1,0,1,0,0|1,0,1]=4 1060 B11R2.10 ClC1CC2=CC=CC=C2C1 DY686677 [0,1,0,1,0,0|1,0,0]=3 1061 B11R2.10 O=C1CC2=C(C=CC=C2)O1 DY20944 [0,1,0,1,0,0|0,1,1]=4 1062 B11R2.10 O=C1CC2=CC=CC=C2C1 NO16080 [0,1,0,1,0,0|0,1,1]=4 1063 B11R2.10 O=C1CC2=CC=CC=C2N1 NO15184 [0,1,0,1,0,0|0,1,1]=4 1064 B11R2.10 OC1CC2=CC=CC=C2C1 NO21608 [0,1,0,1,0,0|0,1,0]=3 1065 B11R2.10 SC1=NC2=C(C=CC=C2)N1 DY20678 [0,1,0,1,0,0|1,0,1]=4 1066 B11R2.10 SC1=NC2=C(C=CC=C2)O1 DY20463 [0,1,0,1,0,0|1,0,1]=4 1067 B11R2.10 SC1=NC2=C(C=CC=C2)S1 DY752305 [0,1,0,1,0,0|1,0,1]=4 1068 B11R2.20 C1=CC2=C(C=C1)SCCN2 DY459726 [0,1,0,1,0,0|0,0,0]=2 1069 B11R2.20 C1=CC2=C(C=N1)NCCN2 DY669326 [0,1,0,1,0,0|2,0,0]=4 1070 B11R2.20 C1=CC2=C(CCCC2)N=C1 NO13407 [0,1,0,1,0,0|2,0,0]=4 1071 B11R2.20 C1=CC2=C(CCNC2)N=C1 NO14841 [0,1,0,1,0,0|2,0,0]=4 1072 B11R2.20 C1=CC2=C(N=C1)NCCN2 NO12464 [0,1,0,1,0,0|2,0,0]=4 1073 B11R2.20 C1=CC=C2CNCCC2=C1 NO19412 [0,1,0,1,0,0|1,0,0]=3 1074 B11R2.20 C1=CC=C2COCCC2=C1 NO19933 [0,1,0,1,0,0|0,1,0]=3 1075 B11R2.20 C1=CC=C2NCCNC2=C1 NO19000 [0,1,0,1,0,0|1,0,0]=3 1076 B11R2.20 C1=CN=C2NCCCC2=C1 NO20465 [0,1,0,1,0,0|2,0,0]=4 1077 B11R2.20 C1=NC=C2CCCNC2=C1 DY105356 [0,1,0,1,0,0|2,0,0]=4 1078 B11R2.20 C1=NC=C2CCNCC2=C1 NO15863 [0,1,0,1,0,0|2,0,0]=4 1079 B11R2.20 C1=NC=C2CNCCC2=C1 DY113298 [0,1,0,1,0,0|2,0,0]=4 1080 B11R2.20 C1=NC=C2CNCCC2=C1 NO17812 [0,1,0,1,0,0|2,0,0]=4 1081 B11R2.55 BrC1=NC=CC=C1C2CC2 NO16928 [0,1,0,1,0,0|2,0,0]=4 1082 B11R2.55 FC1=NC=CC=C1C2CC2 DY451828 [0,1,0,1,0,0|2,0,0]=4 1083 B11R2.55 NC1=C(C2CC2)C=NC=C1 NO17282 [0,1,0,1,0,0|2,0,0]=4 1084 B11R2.55 OC1=C(C2CC2)C=CC=C1 DY757459 [0,1,0,1,0,0|1,0,0]=3 1085 B11R2.106 BrC1=C2CCCC2=CC=C1 NO16754 [0,1,0,1,0,0|1,0,0]=3 1086 B11R2.106 BrC1=C2CCNC2=CC=C1 NO18513 [0,1,0,1,0,0|1,0,0]=3 1087 B11R2.106 BrC1=C2CNCC2=CC=C1 NO22684 [0,1,0,1,0,0|2,0,0]=4 1088 B11R2.106 BrC1=CC=CC2=C1C=CS2 NO22672 [0,1,0,1,0,0|0,0,2]=4 1089 B11R2.106 BrC1=CC=CC2=C1N=CS2 DY570963 [0,1,0,1,0,0|1,0,1]=4 1090 B11R2.106 BrC1=CC=CC2=C1OCC2 NO12983 [0,1,0,1,0,0|0,1,0]=3 1091 B11R2.106 BrC1=CC=CC2=C1OCO2 NO22623 [0,1,0,1,0,0|1,1,0]=4 1092 B11R2.106 BrC1=CC=CC2=C1SC=C2 NO12307 [0,1,0,1,0,0|0,0,2]=4 1093 B11R2.106 BrC1=CC=CC2=C1SC=N2 DY104750 [0,1,0,1,0,0|1,0,1]=4 1094 B11R2.106 CC1=C2CNCC2=CC=C1 NO17946 [0,1,0,1,0,0|2,0,0]=4 1095 B11R2.106 CC1=C2NCCC2=CC=C1 NO18412 [0,1,0,1,0,0|1,0,0]=3 1096 B11R2.106 CC1=CC=CC2=C1SC=C2 DY441270 [0,1,0,1,0,0|0,0,2]=4 1097 B11R2.106 CC1=CC=CC2=NCCN12 DY760358 [0,1,0,1,0,0|2,0,0]=4 1098 B11R2.106 ClC1=C2CCCC2=NC=C1 NO12915 [0,1,0,1,0,0|2,0,0]=4 1099 B11R2.106 ClC1=C2CCNC2=CC=C1 NO10845 [0,1,0,1,0,0|1,0,0]=3 1100 B11R2.106 ClC1=C2CCNC2=CN=C1 DY585263 [0,1,0,1,0,0|2,0,0]=4 1101 B11R2.106 ClC1=C2CNCC2=CC=C1 DY630146 [0,1,0,1,0,0|2,0,0]=4 1102 B11R2.106 ClC1=C2CNCC2=CC=C1 NO15338 [0,1,0,1,0,0|2,0,0]=4 1103 B11R2.106 ClC1=C2NCCC2=CC=N1 DY518367 [0,1,0,1,0,0|2,0,0]=4 1104 B11R2.106 ClC1=CC=CC2=C1N=CS2 NO12362 [0,1,0,1,0,0|1,0,1]=4 1105 B11R2.106 FC1=C2CCNC2=CC=C1 DY433917 [0,1,0,1,0,0|1,0,0]=3 1106 B11R2.106 FC1=C2CNCC2=CC=C1 DY430022 [0,1,0,1,0,0|2,0,0]=4 1107 B11R2.106 FC1=C2CNCC2=CC=C1 DY580305 [0,1,0,1,0,0|2,0,0]=4 1108 B11R2.106 IC1=C2CCNC2=CC=C1 DY630170 [0,1,0,1,0,0|1,0,0]=3 1109 B11R2.106 IC1=CC=CC2=C1OCO2 NO12923 [0,1,0,1,0,0|1,1,0]=4 1110 B11R2.106 NC1=CC=CC2=C1C=CS2 DY752629 [0,1,0,1,0,0|0,0,2]=4 1111 B11R2.106 NC1=CC=CC2=C1CCN2 NO11498 [0,1,0,1,0,0|1,0,0]=3 1112 B11R2.106 NC1=CC=CC2=C1SC=N2 NO10782 [0,1,0,1,0,0|1,0,1]=4 1113 B11R2.106 O=C1C=CC=C2NCCN12 NO15111 [0,1,0,1,0,0|2,0,0]=4 1114 B11R2.106 O=C1C=CC=C2NCCN12 NO17486 [0,1,0,1,0,0|2,0,0]=4 1115 B11R2.106 OC1=C2N=CSC2=CC=C1 NO22602 [0,1,0,1,0,0|1,0,1]=4 1116 B11R2.106 OC1=CC=CC2=C1CCC2 NO22898 [0,1,0,1,0,0|1,0,0]=3 1117 B11R2.106 OC1=CC=NC2=C1CCN2 DY534099 [0,1,0,1,0,0|2,0,0]=4 1118 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 DY579003 [0,1,0,1,0,0|2,0,0]=4 1119 B11R2.35 CC1=CC(C2=NC2)=CC=C1 DY770565 [0,1,0,1,0,0|1,0,1]=4 1120 B11R2.1 CC1=CCC2=CC=CC=C12 DY106180 [0,1,0,1,0,0|1,0,1]=4 1121 B11R2.1 CC1CNC2=NC=CC=C21 DY739061 [0,1,0,1,0,0|2,0,0]=4 1122 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 DY546033 [0,1,0,1,0,0|1,0,1]=4 1123 B11R2.1 IC1=CSC2=C1C=CC=C2 NO22329 [0,1,0,1,0,0|0,0,2]=4 1124 B11R2.1 NC1=CSC2=C1C=CC=C2 NO13998 [0,1,0,1,0,0|0,0,2]=4 1125 B11R2.1 NC1=NCC2=CC=CC=C21 DY459738 [0,1,0,1,0,0|1,0,1]=4 1126 B11R2.1 NC1=NSC2=C1C=CC=C2 NO13975 [0,1,0,1,0,0|1,0,1]=4 1127 B11R2.1 NC1CCC2=CC=CC=C21 NO19275 [0,1,0,1,0,0|1,0,0]=3 1128 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 NO19803 [0,1,0,1,0,0|1,0,0]=3 1129 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO16005 [0,1,0,1,0,0|1,0,0]=3 1130 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO20307 [0,1,0,1,0,0|1,0,0]=3 1131 B11R2.1 N[C@H]1CCC2=NC=CC=C21 DY515745 [0,1,0,1,0,0|2,0,0]=4 1132 B11R2.1 O=C1CCC2=CC=CC=C12 NO18668 [0,1,0,1,0,0|0,1,0]=3 1133 B11R2.1 O=C1CCC2=CC=CN=C12 NO10816 [0,1,0,1,0,0|1,1,0]=4 1134 B11R2.1 O=C1CCC2=NC=CC=C12 NO18212 [0,1,0,1,0,0|1,1,0]=4 1135 B11R2.1 O=C1CSC2=C1C=CC=C2 NO20606 [0,1,0,1,0,0|0,0,1]=3 1136 B11R2.1 O=C1NCC2=CC=CC=C12 NO11515 [0,1,0,1,0,0|0,1,1]=4 1137 B11R2.1 O=C1NSC2=C1C=CC=C2 NO14057 [0,1,0,1,0,0|1,0,1]=4 1138 B11R2.1 O=C1OCC2=CC=CC=C12 NO11853 [0,1,0,1,0,0|0,1,1]=4 1139 B11R2.1 OC1CCC2=CC=CN=C21 NO10573 [0,1,0,1,0,0|1,1,0]=4 1140 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 DY567765 [0,1,0,1,0,0|0,1,0]=3 1141 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 DY559809 [0,1,0,1,0,0|1,0,0]=3 1142 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 DY537225 [0,1,0,1,0,0|1,0,0]=3 1143 B11R2.40 FC1(C2=CC=CC=C2)N=N1 DY770607 [0,1,0,1,0,0|2,0,0]=4 1144 B11R2.40 NC1(C2=CC=CN=C2)CC1 DY557109 [0,1,0,1,0,0|2,0,0]=4 1145 B11R2.239 C1=CC(C2CCC2)=CC=N1 DY576525 [0,1,0,1,0,0|2,0,0]=4 1146 B11R2.239 C1=CC=C(C2CCO2)C=C1 DY732709 [0,1,0,1,0,0|0,1,0]=3 1147 B11R2.239 C1=CN=C(C2COC2)C=C1 DY732907 [0,1,0,1,0,0|1,1,0]=4 1148 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 NO19482 [0,1,0,1,0,0|1,0,0]=3 1149 B11R2.238 C1=CC=C(SC2CC2)C=C1 DY20576 [0,1,0,1,0,0|1,0,0]=3 1150 B7R1.1 CCC1=NC=CN1 NO21533 [1,0,0,0,1,0|2,0,0]=4 1151 B7R1.1 CCN1C=CC=N1 NO20681 [1,0,0,0,1,0|2,0,0]=4 1152 B7R1.1 CNC1=CC=CS1 DY786838 [1,0,0,0,1,0|2,0,0]=4 1153 B7R1.1 COC1=CC=CO1 DY759896 [1,0,0,0,1,0|2,0,0]=4 1154 B7R1.1 COC1=CSC=C1 NO22351 [1,0,0,0,1,0|2,0,0]=4 1155 B7R1.1 ClCC1=CC=CO1 NO13429 [1,0,0,0,1,0|2,0,0]=4 1156 B7R1.1 NCC1=CC=CN1 NO14874 [1,0,0,0,1,0|2,0,0]=4 1157 B7R1.1 NCC1=CC=CS1 NO22783 [1,0,0,0,1,0|2,0,0]=4 1158 B7R1.1 NCC1=CSC=C1 NO22417 [1,0,0,0,1,0|2,0,0]=4 1159 B7R1.1 OCC1=COC=C1 NO22303 [1,0,0,0,1,0|1,1,0]=4 1160 B7R1.1 OCC1=CSC=C1 NO18039 [1,0,0,0,1,0|1,1,0]=4