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|2,0,2]=4 2 B9R1.8 CCCC1=CC=CN=C1 NO22402 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.8 CCOC1=CC=CN=N1 DY736406 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CCOC1=NC=CN=C1 NO21524 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 CNCC1=CC=CC=C1 DY10559 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 CNCC1=CC=CC=C1 DY20323 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 CNCC1=CC=CC=C1 DY21006 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 CNCC1=CC=CN=C1 NO18846 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.8 CNCC1=CC=NC=C1 DY712153 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.8 CNCC1=NC=CC=C1 DY501242 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.8 CNCC1=NC=CC=C1 DY663671 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 COCC1=NC=CC=C1 NO20909 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.8 CSCC1=NC=CN=C1 DY710935 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.8 ClCCC1=CC=NC=C1 NO17913 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.8 ClCCC1=NC=CN=C1 DY585865 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.8 N#CCC1=CC=CN=C1 NO18407 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.8 N#CCC1=NC=CC=C1 NO18926 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.8 NCCC1=CC=CN=C1 NO21892 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.8 NCCC1=CN=CN=C1 DY693160 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.8 NCCC1=NC=CC=C1 NO14064 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.8 NCCC1=NC=CC=N1 DY510693 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 NNCC1=CC=CC=C1 NO11006 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.8 NNCC1=CC=CC=C1 NO12127 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.8 NNCC1=NC=CC=C1 DY578445 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.8 NOCC1=CC=CC=C1 NO14063 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.8 OCCC1=CN=CN=C1 NO12401 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.8 ONCC1=CC=CC=C1 DY563853 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.8 ONCC1=CC=CC=C1 NO11753 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.2 BrCC1=CC=CN=N1 NO15758 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 BrCC1=CN=CN=C1 NO17938 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 BrCC1=NC=CN=C1 DY710893 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.2 C#CC1=NC=CC=C1 NO21539 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.2 C=CC1=CC=CN=C1 DY507011 [1,0,0,0,0,0|1,0,2]=4 35 B8R1.2 CCC1=CC=CN=C1 NO22277 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.2 CCC1=NC=CN=C1 NO21534 [1,0,0,0,0,0|0,0,0]=1 37 B8R1.2 CNC1=CC=CC=C1 NO11792 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 CNC1=CC=CN=C1 NO13856 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 CNC1=CN=CN=C1 DY553401 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 COC1=CC=CN=C1 NO22348 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 COC1=CC=CN=N1 NO22347 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 COC1=NC=CC=C1 NO18780 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 COC1=NC=CN=C1 NO17887 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.2 CSC1=NC=CC=N1 DY573207 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 CSC1=NC=CN=C1 DY541389 [1,0,0,0,0,0|1,0,0]=2 46 B8R1.2 ClCC1=CC=CN=C1 NO19291 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 ClCC1=CC=CN=N1 NO16004 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 ClCC1=NC=CC=C1 NO19289 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 ClCC1=NC=CC=N1 NO20902 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 ICC1=CC=CC=C1 NO11000 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 N#CC1=CN=CC=C1 NO22263 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.2 N#CC1=NC=CC=C1 NO19642 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.2 N#CC1=NC=CN=C1 NO17380 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.2 NCC1=CC=CN=C1 NO14226 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 NCC1=CN=NC=C1 NO15014 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 NCC1=CN=NC=C1 NO15515 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 NCC1=NC=CC=C1 DY663911 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 NCC1=NC=CC=N1 NO21304 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 NCC1=NC=CN=C1 DY710323 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.2 NCC1=NC=CN=C1 NO19691 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.2 NCC1=NC=CN=C1 NO20245 [1,0,0,0,0,0|1,0,0]=2 62 B8R1.2 NNC1=CC=CN=C1 NO15491 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 NNC1=CC=CN=C1 NO22308 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 NNC1=NC=CC=C1 NO15589 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 NNC1=NC=CC=C1 NO21573 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 O=CC1=CN=CC=C1 NO19090 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.2 O=CC1=NC=CC=C1 NO18610 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 O=CC1=NC=CN=C1 NO18375 [1,0,0,0,0,0|1,0,1]=3 69 B8R1.2 OCC1=CC=CN=C1 NO22409 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 OCC1=CC=CN=N1 NO21870 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 OCC1=CN=CN=C1 DY444370 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 OCC1=NC=CC=C1 NO19164 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 OCC1=NC=CC=N1 NO19924 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 OCC1=NC=CN=C1 NO21749 [1,0,0,0,0,0|1,0,0]=2 75 B8R1.2 OCC1=NC=NC=C1 NO11915 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.1 BrCCC1=CC=C(Br)C=C1 DY531753 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.1 CC1=CN=C(CCCl)C=N1 DY585863 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.1 CC1=CN=C(CCN)C=C1 DY654264 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.1 CCCC1=CC=C(Br)C=C1 NO10896 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.1 CCNC1=CC=C(C)C=C1 DY822062 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.1 CCNC1=CC=C(Cl)C=C1 DY745663 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.1 CCNC1=NC=C(Br)C=C1 DY659768 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.1 CCOC1=CC=C(Cl)N=N1 DY450328 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.1 CCOC1=CC=C(I)C=C1 NO22907 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.1 CCOC1=CC=C(N)C=C1 NO11879 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.1 CCOC1=CC=C(N)N=N1 NO10700 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.1 CCOC1=CC=C(O)C=C1 DY563859 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.1 CCOC1=CN=C(Br)N=C1 DY444172 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.1 CCOC1=CN=C(N)C=C1 NO15063 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.1 CCOC1=NC=C(Br)C=C1 NO22026 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.1 CCOC1=NC=C(N)C=C1 NO14713 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.1 CNCC1=CC=C(Br)C=C1 NO19272 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.1 CNCC1=CC=C(Cl)C=C1 DY455886 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.1 CNCC1=CC=C(Cl)N=C1 DY511497 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.1 CNCC1=CC=C(F)C=C1 DY585104 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.1 CNCC1=CN=C(C)N=C1 NO15645 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.1 COCC1=CC=C(O)C=N1 DY712897 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.1 COCC1=NC=C(O)C=N1 DY693100 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.1 CSCC1=CN=C(Cl)C=C1 DY606927 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.1 CSCC1=NC=C(Br)C=C1 DY112104 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.1 ClC1=CC=C(CCBr)C=C1 NO10835 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.1 ClCCC1=CN=C(Cl)C=C1 DY714175 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.1 FC1=CC=C(CCBr)C=C1 NO10866 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.1 FC1=CC=C(CCCl)C=C1 DY584346 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.1 N#CCC1=CC=C(Cl)N=C1 NO19041 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.1 N#CCC1=NC=C(Br)C=C1 NO19461 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.1 N#CCC1=NC=C(Cl)C=C1 NO15674 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.1 NC1=CC=C(CCO)C=C1 NO13450 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.1 NCCC1=CC=C(Br)C=C1 NO19296 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.1 NCCC1=CC=C(F)C=C1 NO13766 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.1 OCCC1=CC=C(Br)C=C1 NO14491 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.1 OCCC1=CC=C(Cl)C=C1 NO22791 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.1 OCCC1=CC=C(Cl)N=C1 DY509192 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.1 OCCC1=CC=C(O)C=C1 NO20458 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.4 C=CCC1=C(C)C=CN=C1 DY451588 [0,1,0,0,0,0|1,0,2]=4 119 B10R1.4 CC1=NC=CC=C1CCN DY653840 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.4 CCCC1=CN=CN=C1Cl DY544407 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.4 CCOC1=C(Br)C=CC=C1 DY20149 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.4 CCOC1=C(C)C=CN=C1 DY711121 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.4 CCOC1=C(F)C=CC=C1 DY452620 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.4 CCOC1=CC=CN=C1Br DY712381 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.4 CCOC1=CC=CN=C1Cl DY564873 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.4 CCOC1=CN=CN=C1N NO17842 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.4 CCOC1=NC=CC=C1Br DY452812 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.4 CCOC1=NC=CN=C1N NO21230 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.4 CNCC1=C(Br)C=CC=C1 DY455892 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.4 CNCC1=CC=CN=C1C DY711673 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.4 CNCC1=CC=CN=C1Cl DY610776 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.4 N#CCC1=CC=CN=C1Br DY447479 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.4 N#CCC1=CC=CN=C1Cl NO13165 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.4 N#CCC1=NC=CC=C1Cl DY534597 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.4 NCCC1=C(Br)C=CC=C1 NO15138 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.4 NCCC1=C(F)C=CC=C1 NO14793 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.4 NCCC1=C(N)C=CC=C1 DY584423 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.4 NCCC1=C(N)C=CC=C1 NO15970 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.4 NCCC1=CC=CN=C1Cl DY585655 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.4 OCCC1=C(Br)C=CC=C1 NO21407 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.4 OCCC1=C(I)C=CC=C1 DY545007 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.10 CC1=CC(CCN)=NC=C1 DY713209 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.10 CCCC1=CN=CC(O)=C1 DY660255 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.10 CCNC1=NC=CC(Cl)=C1 DY658481 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.10 CCNC1=NC=CC(N)=C1 NO14774 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.10 CCOC1=CC=CC(Cl)=N1 DY655578 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.10 CCSC1=NC(Cl)=NC=C1 DY514233 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.10 CNCC1=CC(Cl)=CC=C1 DY456640 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.10 CNCC1=CC=CC(N)=C1 DY789483 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.10 COCC1=CC(Cl)=NC=N1 DY547875 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.10 COCC1=NC(Cl)=NC=C1 DY516411 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.10 Clc1cccc(CCBr)c1 DY584685 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.10 N#CCC1=NC=CC(Br)=C1 NO17276 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.10 N#CCC1=NC=CC(F)=C1 DY711241 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.10 NC1=CC=CC(CCO)=C1 NO22105 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.10 NC1=CC=CC(CCO)=N1 DY608453 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.10 NCCC1=CC(Br)=CC=C1 NO15159 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.10 NCCC1=NC(Cl)=CC=C1 DY654324 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.10 NCCc1cccc(O)c1 DY552393 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.10 OCCC1=CC(Br)=CC=C1 NO22186 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.10 OCCC1=CC(Cl)=CC=C1 NO22241 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.10 OCCC1=NC(Cl)=CC=C1 DY531777 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.15 C#CC(O)C1=NC=CC=C1 DY717033 [0,1,0,0,0,0|1,0,2]=4 165 B10R1.15 CC(CN)C1=CC=CC=C1 DY822021 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.15 CC(NN)C1=CC=CN=C1 DY656338 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.15 CCC(C)C1=NC=CN=C1 DY710905 [0,1,0,0,0,0|0,0,0]=1 169 B10R1.15 CCC(O)C1=CC=CC=C1 DY580677 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.15 CCS(=O)C1=CC=CC=C1 DY746839 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.15 CC[C@H](N)C1=CC=CC=C1 DY20337 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.15 CC[C@H](N)C1=CC=NC=C1 DY623825 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.15 COC(=O)C1=CN=CC=C1 NO19425 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.15 COC(=O)C1=NC=CC=C1 NO19684 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 NO10909 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.15 NC(CO)C1=CC=CC=C1 NO15860 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.15 NC(CO)C1=CC=CN=C1 DY654840 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.15 NC(CO)C1=NC=CC=C1 DY111155 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.15 NC(CO)C1=NC=CC=C1 DY509906 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.15 NC[C@H](O)C1=CC=CC=C1 NO20485 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 NO10553 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.15 N[C@H](CO)C1=CC=CC=C1 NO10555 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.15 N[C@H](CO)C1=NC=CC=C1 DY624391 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.15 N\C(=N/O)C1=NC=CN=C1 DY512415 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.15 O=C(CCl)C1=NC=CN=C1 DY579657 [0,1,0,0,0,0|1,0,1]=3 186 B10R1.15 OC(CBr)C1=CC=CC=C1 NO18840 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.15 OC[C@@H](O)c1ccccc1 DY459384 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 DY608146 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.17 BrCCCC1=CC=CN=C1 DY604503 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.17 CCOCC1=CC=NC=C1 DY657931 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.17 CNCCC1=CC=CC=N1 DY455430 [0,1,0,0,0,0|1,0,0]=2 194 B10R1.17 ClCCCC1=CC=CN=C1 DY656440 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.17 NCCCC1=CC=NC=C1 DY425564 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.17 NCCCC1=NC=CC=N1 DY737570 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.17 NCCNC1=NC=CC=C1 NO11746 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.17 NCCOC1=CC=CN=C1 NO16368 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.17 NCCOC1=NC=CN=C1 DY508970 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.17 NNCCc1ccccc1 DY527511 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [0,1,0,0,0,0|1,0,1]=3 203 B10R1.17 OCC#CC1=NC=CC=C1 DY711583 [0,1,0,0,0,0|1,0,2]=4 204 B10R1.17 OCCCC1=CC=NC=C1 NO22019 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.17 OCCCC1=CN=CN=C1 DY693694 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.18 CC(=O)CC1=CC=CN=C1 DY567891 [0,1,0,0,0,0|1,0,1]=3 207 B10R1.18 CC(=O)CC1=NC=CC=C1 NO20802 [0,1,0,0,0,0|1,0,1]=3 208 B10R1.18 CC(C)NC1=CC=CC=C1 NO11787 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.18 CC(C)NC1=NC=CC=N1 DY696047 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.18 CC(N)CC1=NC=CC=C1 DY652737 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.18 CC(O)CC1=NC=CN=C1 DY709807 [0,1,0,0,0,0|0,0,0]=1 212 B10R1.18 FC(F)OC1=NC=CC=C1 DY116213 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.18 N=C(N)CC1=CC=CN=C1 DY610010 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.18 O=C(O)CC1=CC=CN=C1 NO20325 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.18 O=C([O-])CC1=NC=CC=C1 DY716949 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.4 CCC\C=C\C=C\CO NO17006 [0,0,1,0,0,0|2,0,1]=4 217 B10R2.6 C1=CC(N2CC2)=NC=N1 DY737558 [0,0,0,1,0,0|3,0,0]=4 218 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DY20326 [0,0,0,1,0,0|3,0,0]=4 219 B10R2.7 C1=CC2=C(C=C1)CSC2 DY114506 [0,0,0,1,0,0|3,0,0]=4 220 B10R2.7 C1=CC2=C(C=C1)OCC2 NO20929 [0,0,0,1,0,0|3,0,0]=4 221 B10R2.7 C1=CC2=NCCN2C=C1 DY760292 [0,0,0,1,0,0|2,0,1]=4 222 B10R2.7 C1=CC=C2CNCC2=C1 NO11516 [0,0,0,1,0,0|3,0,0]=4 223 B10R2.7 C1=CC=C2NCCC2=C1 NO19084 [0,0,0,1,0,0|3,0,0]=4 224 B10R2.7 C1=CN=C2CCCC2=C1 NO14838 [0,0,0,1,0,0|1,0,0]=2 225 B10R2.7 C1=CN=C2CCNC2=C1 DY107728 [0,0,0,1,0,0|2,0,0]=3 226 B10R2.7 C1=CN=C2CN=NC2=C1 DY675469 [0,0,0,1,0,0|3,0,0]=4 227 B10R2.7 C1=CN=C2CNCC2=C1 DY565581 [0,0,0,1,0,0|2,0,0]=3 228 B10R2.7 C1=CN=C2CNCC2=C1 NO15341 [0,0,0,1,0,0|2,0,0]=3 229 B10R2.7 C1=CN=C2NC=CC2=N1 NO22516 [0,0,0,1,0,0|1,0,2]=4 230 B10R2.7 C1=CN=C2NC=NC2=N1 DY545763 [0,0,0,1,0,0|2,0,1]=4 231 B10R2.7 C1=CN=C2NN=CC2=N1 NO14372 [0,0,0,1,0,0|2,0,1]=4 232 B10R2.7 C1=CN=C2SC=CC2=N1 NO12514 [0,0,0,1,0,0|1,0,2]=4 233 B10R2.7 C1=NC=C2N=NCC2=C1 NO18561 [0,0,0,1,0,0|3,0,0]=4 234 B10R2.7 C1=NC=C2NCCC2=C1 DY570663 [0,0,0,1,0,0|2,0,0]=3 235 B10R2.7 C1=NC=NC2=C1CNC2 NO12384 [0,0,0,1,0,0|3,0,0]=4 236 B10R2.320 BrC1CC2=CC=CC=C21 DY539943 [0,0,0,1,0,0|3,0,0]=4 237 B8R1.8 CCCC1=NC=CN1 NO14621 [0,0,0,0,1,0|0,0,1]=2 238 B8R1.8 CCCC1=NN=CO1 DY772845 [0,0,0,0,1,0|2,0,0]=3 239 B8R1.8 COCN1C=CN=C1 NO12819 [0,0,0,0,1,0|2,0,0]=3 240 B8R1.8 CSCC1=CC=CO1 DY523785 [0,0,0,0,1,0|2,0,0]=3 241 B8R1.8 ClCCC1=CNN=C1 DY20761 [0,0,0,0,1,0|2,0,0]=3 242 B8R1.8 N#CCC1=CC=CS1 NO22998 [0,0,0,0,1,0|2,0,1]=4 243 B8R1.8 N#CCC1=CNN=C1 DY645751 [0,0,0,0,1,0|2,0,1]=4 244 B8R1.8 N#CCC1=CSC=C1 NO13644 [0,0,0,0,1,0|2,0,1]=4 245 B8R1.8 N#CCN1C=CC=N1 DY645739 [0,0,0,0,1,0|2,0,1]=4 246 B8R1.8 NCCC1=CC=CN1 DY717219 [0,0,0,0,1,0|1,0,1]=3 247 B8R1.8 NCCC1=CN=CS1 DY785962 [0,0,0,0,1,0|2,0,0]=3 248 B8R1.8 NCCC1=CNC=N1 DY557493 [0,0,0,0,1,0|1,0,1]=3 249 B8R1.8 NCCC1=CNC=N1 NO18264 [0,0,0,0,1,0|1,0,1]=3 250 B8R1.8 NCCC1=CSC=C1 NO22098 [0,0,0,0,1,0|2,0,0]=3 251 B8R1.8 NCCC1=NC=CN1 DY725263 [0,0,0,0,1,0|1,0,1]=3 252 B8R1.8 NCCC1=NN=NN1 DY610595 [0,0,0,0,1,0|3,0,0]=4 253 B8R1.8 NCCN1C=CC=N1 DY501807 [0,0,0,0,1,0|2,0,0]=3 254 B8R1.8 NNCC1=CC=CS1 DY607641 [0,0,0,0,1,0|3,0,0]=4 255 B8R1.8 O=CCC1=CC=CS1 NO17423 [0,0,0,0,1,0|2,0,1]=4 256 B8R1.8 OCCC1=CC=CS1 NO14939 [0,0,0,0,1,0|2,0,0]=3 257 B8R1.8 OCCC1=CN=CN1 DY726169 [0,0,0,0,1,0|1,0,1]=3 258 B8R1.8 OCCC1=CNC=N1 NO18186 [0,0,0,0,1,0|1,0,1]=3 259 B8R1.8 OCCC1=CNN=C1 NO18073 [0,0,0,0,1,0|2,0,0]=3 260 B8R1.8 OCCC1=CSC=C1 NO20858 [0,0,0,0,1,0|2,0,0]=3 261 B8R1.8 OCCC1=NC=CS1 DY578205 [0,0,0,0,1,0|2,0,0]=3 262 B8R1.8 OCCN1C=CN=C1 NO18191 [0,0,0,0,1,0|2,0,0]=3 263 B7R1.3 BrC1=CC=CN=C1 NO19218 [2,0,0,0,0,0|2,0,0]=4 264 B7R1.3 BrC1=NC=CC=C1 NO17815 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.3 BrC1=NC=CN=C1 NO15000 [2,0,0,0,0,0|1,0,0]=3 266 B7R1.3 CC1=CC=CN=N1 NO22374 [2,0,0,0,0,0|2,0,0]=4 267 B7R1.3 CC1=CN=CN=C1 NO18851 [2,0,0,0,0,0|2,0,0]=4 268 B7R1.3 CC1=CN=NC=C1 NO22983 [2,0,0,0,0,0|2,0,0]=4 269 B7R1.3 CC1=NC=NC=C1 NO19795 [2,0,0,0,0,0|2,0,0]=4 270 B7R1.3 ClC1=NC=CC=C1 DY20672 [2,0,0,0,0,0|2,0,0]=4 271 B7R1.3 ClC1=NC=CN=C1 NO15454 [2,0,0,0,0,0|1,0,0]=3 272 B7R1.3 FC1=CC=CN=C1 DY20006 [2,0,0,0,0,0|2,0,0]=4 273 B7R1.3 FC1=NC=CC=C1 DY20005 [2,0,0,0,0,0|2,0,0]=4 274 B7R1.3 IC1=NC=CC=C1 NO14565 [2,0,0,0,0,0|2,0,0]=4 275 B7R1.3 IC1=NC=CN=C1 DY425096 [2,0,0,0,0,0|1,0,0]=3 276 B7R1.3 NC1=CC=CN=C1 NO19073 [2,0,0,0,0,0|2,0,0]=4 277 B7R1.3 NC1=NC=CN=C1 NO16102 [2,0,0,0,0,0|1,0,0]=3 278 B7R1.3 NC1=NC=CN=N1 DY459438 [2,0,0,0,0,0|2,0,0]=4 279 B7R1.3 OC1=CC=CN=C1 NO17813 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.3 OC1=NC=CC=C1 NO21602 [2,0,0,0,0,0|2,0,0]=4 281 B7R1.3 OC1=NC=CN=C1 NO21601 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.1 BrCC1=CN=C(Br)C=C1 DY655150 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.1 CC1=CC=C(CO)C=N1 DY21041 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.1 CC1=CN=C(C=O)C=N1 NO12781 [1,1,0,0,0,0|1,0,1]=4 285 B9R1.1 CC1=CN=C(CN)C=C1 DY711847 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.1 CC1=CN=C(CN)C=C1 NO18319 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.1 CC1=CN=C(CO)C=N1 NO12383 [1,1,0,0,0,0|1,0,0]=3 288 B9R1.1 CC1=NC=C(CCl)C=C1 DY585961 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.1 CCC1=CC=C(Br)C=C1 NO10865 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.1 CCC1=CC=C(Cl)C=C1 DY584444 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.1 CCC1=CC=C(F)C=C1 DY20965 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.1 CCC1=CC=C(I)C=C1 DY20189 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.1 CCC1=CC=C(N)C=N1 DY515529 [1,1,0,0,0,0|1,0,0]=3 294 B9R1.1 CCC1=CC=C(O)C=C1 DY20188 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.1 CCC1=CN=C(Br)C=C1 NO13124 [1,1,0,0,0,0|1,0,0]=3 296 B9R1.1 CCC1=CN=C(C)C=C1 DY20566 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.1 CCC1=CN=C(N)C=C1 DY585943 [1,1,0,0,0,0|1,0,0]=3 298 B9R1.1 CCC1=CN=C(N)N=C1 NO14255 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.1 CCC1=NC=C(Br)C=C1 NO12376 [1,1,0,0,0,0|1,0,0]=3 301 B9R1.1 CCC1=NC=C(Br)C=N1 NO13125 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.1 CCC1=NC=C(C)N=C1 DY710647 [1,1,0,0,0,0|0,0,0]=2 303 B9R1.1 CCC1=NC=C(I)C=N1 DY693478 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.1 CNC1=NC=C(Br)C=C1 NO10304 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.1 CNC1=NC=C(F)C=C1 DY711535 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.1 COC1=CC=C(N)C=N1 NO19527 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.1 COC1=CN=C(Br)C=C1 NO13470 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.1 COC1=CN=C(Br)C=N1 NO21377 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.1 COC1=CN=C(Cl)C=N1 NO14927 [1,1,0,0,0,0|1,0,0]=3 310 B9R1.1 COC1=CN=C(N)C=C1 NO17791 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.1 COC1=CN=C(N)C=N1 NO19706 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.1 COC1=NC=C(Br)C=C1 DY716534 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.1 COC1=NC=C(Br)C=C1 NO22030 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.1 COC1=NC=C(C)C=C1 NO21644 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.1 COC1=NC=C(Cl)C=C1 NO17976 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.1 COC1=NC=C(I)C=C1 NO21641 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.1 CSC1=CC=C(N)C=N1 DY547125 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.1 CSC1=CN=C(C)C=N1 DY710851 [1,1,0,0,0,0|1,0,0]=3 319 B9R1.1 CSC1=NC=C(Cl)C=C1 DY454120 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.1 ClC1=CN=C(CBr)C=C1 NO16112 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.1 ClC1=CN=C(CBr)C=C1 NO17526 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.1 ClCC1=NC=C(Cl)C=C1 DY446951 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.1 FC1=NC=C(CBr)C=C1 NO13268 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.1 N#CC1=CN=C(N)C=N1 NO17828 [1,1,0,0,0,0|1,0,1]=4 325 B9R1.1 N#CC1=NC=C(Cl)N=C1 NO12402 [1,1,0,0,0,0|1,0,1]=4 326 B9R1.1 NCC1=CC=C(Br)N=C1 NO11090 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.1 NCC1=CC=C(Cl)N=C1 NO16390 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.1 NCC1=CC=C(N)C=N1 NO10590 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.1 NCC1=NC=C(Cl)N=C1 DY504699 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.1 NCC1=NC=C(Cl)N=C1 DY532911 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.1 NCC1=NC=C(F)C=C1 DY430169 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.1 NCC1=NC=C(F)C=C1 NO16554 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.1 OCC1=CN=C(Cl)C=C1 DY20657 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.1 OCC1=NC=C(Br)C=C1 NO23005 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.1 OCC1=NC=C(Cl)C=C1 NO21758 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.1 OCC1=NC=C(Cl)N=C1 NO14569 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.1 OCC1=NC=C(F)C=C1 NO10382 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.2 CC1=CC(CCl)=NC=C1 NO15442 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.2 CC1=CC(CO)=NC=C1 NO11126 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.2 CC1=CC=CC(CCl)=N1 DY547749 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.2 CC1=CC=CC(CN)=N1 NO18414 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.2 CC1=CC=CC(CO)=N1 DY20920 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.2 CC1=CN=CC(C#N)=N1 NO17295 [1,1,0,0,0,0|1,0,1]=4 344 B9R1.2 CC1=CN=CC(CCl)=C1 NO14445 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.2 CC1=CN=CC(CCl)=N1 NO17402 [1,1,0,0,0,0|1,0,0]=3 346 B9R1.2 CC1=CN=CC(CO)=C1 DY452566 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.2 CC1=CN=CC(CO)=N1 NO15787 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.2 CCC1=CC(C)=CN=C1 DY657240 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.2 CCC1=CC=CC(Br)=N1 NO15322 [1,1,0,0,0,0|1,0,0]=3 350 B9R1.2 CCC1=CC=CC(Cl)=C1 DY584271 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.2 CCC1=CN=CC(Br)=C1 NO11907 [1,1,0,0,0,0|1,0,0]=3 352 B9R1.2 CCC1=CN=CC(Cl)=N1 DY447143 [1,1,0,0,0,0|0,0,0]=2 353 B9R1.2 CCC1=NC=CC(Br)=C1 DY658183 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.2 CNC1=NC(Cl)=CN=C1 NO10695 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.2 CNC1=NC=CC(F)=C1 DY714974 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.2 CNC1=NC=CC(I)=C1 DY452194 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.2 CNC1=NC=CC(N)=C1 NO16967 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.2 COC1=CC(C)=CN=C1 DY451846 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.2 COC1=CC=CC(Br)=N1 NO14301 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.2 COC1=CC=CC(Cl)=N1 NO13826 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.2 COC1=CC=CC(F)=N1 NO13652 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.2 COC1=CC=CC(I)=N1 NO18075 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.2 COC1=CC=CC(N)=N1 NO13845 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.2 COC1=CN=CC(Br)=N1 DY431625 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.2 COC1=CN=CC(Cl)=N1 NO21483 [1,1,0,0,0,0|1,0,0]=3 366 B9R1.2 COC1=CN=CC(N)=C1 NO19973 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.2 COC1=CN=CC(N)=N1 NO12541 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.2 COC1=CN=CC(O)=C1 NO17819 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.2 COC1=NC(C)=CC=C1 NO15396 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.2 COC1=NC(C)=CN=C1 DY710569 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.2 COC1=NC=CC(Br)=C1 NO22650 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.2 COC1=NC=CC(C)=C1 NO21637 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.2 COC1=NC=CC(Cl)=C1 NO19313 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.2 COC1=NC=CC(F)=C1 NO11908 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.2 COC1=NC=CC(I)=C1 NO19594 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.2 COC1=NC=CC(N)=C1 NO19525 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.2 CSC1=CN=CC(Br)=C1 DY452608 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.2 CSC1=NC=CC(Cl)=C1 NO12493 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.2 FC1=CC=CC(CBr)=N1 DY500445 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.2 N#CC1=NC(Br)=CN=C1 NO12208 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.2 N#CC1=NC(Cl)=CN=C1 NO19986 [1,1,0,0,0,0|1,0,1]=4 382 B9R1.2 N#CC1=NC(F)=CN=C1 DY430096 [1,1,0,0,0,0|1,0,1]=4 383 B9R1.2 N#CC1=NC(N)=CN=C1 NO12200 [1,1,0,0,0,0|1,0,1]=4 384 B9R1.2 NC1=CC(CBr)=CN=C1 DY659222 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.2 NC1=CC(CO)=NC=C1 DY33483 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.2 NC1=CC=CC(CO)=N1 NO16612 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.2 NC1=CN=CC(CO)=C1 NO22079 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.2 NCC1=NC(Br)=CC=C1 NO10635 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.2 NCC1=NC(Cl)=CC=C1 DY527445 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.2 NCC1=NC(Cl)=CN=C1 DY106438 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.2 NCC1=NC(F)=CC=C1 NO13193 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.2 NCC1=NC=CC(Br)=C1 NO12824 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.2 NCC1=NC=CC(Br)=C1 NO15559 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.2 OCC1=CC(Br)=CN=C1 NO18272 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.2 OCC1=CC(F)=CN=C1 DY430713 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.2 OCC1=NC(Br)=CC=C1 NO23004 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.2 OCC1=NC(Cl)=CC=C1 NO10667 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.2 OCC1=NC(Cl)=CC=C1 NO19907 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.2 OCC1=NC(Cl)=CN=C1 NO16124 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.2 OCC1=NC=CC(Br)=C1 NO18696 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.2 OCC1=NC=CC(Cl)=C1 DY20517 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.2 OCC1=NC=CC(O)=C1 NO17612 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.6 CC(=O)C1=CC=CN=C1 NO18256 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.6 CC(=O)C1=NC=CC=C1 NO18611 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.6 CC(=O)C1=NC=CN=C1 NO19346 [1,1,0,0,0,0|0,0,1]=3 406 B9R1.6 CC(Br)C1=NC=CN=C1 DY710527 [1,1,0,0,0,0|0,0,0]=2 407 B9R1.6 CC(C)C1=NC=CC=C1 NO21621 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.6 CC(N)C1=CC=CC=C1 DY457042 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.6 CC(N)C1=CC=CN=N1 DY526767 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.6 CC(N)C1=NC=CN=C1 NO12997 [1,1,0,0,0,0|0,0,0]=2 411 B9R1.6 CC(O)C1=CN=CN=C1 DY572325 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.6 CC(O)C1=NC=CC=C1 NO20801 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY553203 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY621669 [1,1,0,0,0,0|1,0,0]=3 415 B9R1.6 C[C@@H](O)C1=NC=CC=C1 DY20310 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.6 C[C@@H](O)C1=NC=CC=N1 DY621675 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.6 C[C@H](N)C1=CC=CN=C1 DY546027 [1,1,0,0,0,0|1,0,0]=3 418 B9R1.6 C[C@H](N)C1=NC=CC=C1 NO15370 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.6 C[C@H](O)C1=CC=CN=N1 DY586498 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.6 NC(=O)C1=NC=CN=C1 NO13379 [1,1,0,0,0,0|1,0,1]=4 421 B9R1.6 O=C(O)C1=NC=CN=C1 NO17531 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.6 O=[N+]([O-])C1=NC=CN=C1 DY710017 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.15 CC1=C(CBr)C=NC=C1 DY656650 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.15 CC1=C(CBr)C=NC=C1 NO17496 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.15 CC1=C(CN)C=NC=C1 NO20204 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.15 CC1=CC=CN=C1CCl NO15725 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.15 CC1=CC=CN=C1CO NO19225 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.15 CC1=NC=CC=C1CBr DY520989 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.15 CC1=NC=CC=C1CO NO20145 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.15 CCC1=C(Br)C=CC=C1 NO20980 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.15 CCC1=C(C)C=CC=C1 NO21536 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.15 CCC1=C(I)C=CC=C1 DY534201 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.15 CCC1=CC=CN=C1C DY522489 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.15 CCC1=CN=CN=C1Cl DY559413 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.15 CCC1=NC=CN=C1Cl NO21430 [1,1,0,0,0,0|0,0,0]=2 436 B9R1.15 CCC1=NC=NC=C1F NO19573 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.15 CNC1=NC=CC=C1Br NO17281 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.15 COC1=C(Br)C=CN=C1 NO14715 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.15 COC1=C(Cl)C=CN=C1 DY442708 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.15 COC1=C(N)C=CN=C1 NO22564 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.15 COC1=CC=CN=C1Br NO19255 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.15 COC1=CC=CN=C1Cl NO19305 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.15 COC1=CC=CN=C1F NO13044 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.15 COC1=CC=CN=C1N NO17216 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.15 COC1=NC=CC=C1Br DY715700 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.15 COC1=NC=CC=C1Br NO19258 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.15 COC1=NC=CC=C1Cl NO18705 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.15 COC1=NC=CC=C1F NO19564 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.15 COC1=NC=CC=C1I NO13512 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.15 COC1=NC=CC=C1N NO19526 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.15 COC1=NC=CN=C1Br NO12288 [1,1,0,0,0,0|1,0,0]=3 452 B9R1.15 COC1=NC=CN=C1Cl NO14291 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.15 COC1=NC=CN=C1N DY441119 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.15 CSC1=CC=CN=C1Cl DY452032 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.15 ClC1=CC=CN=C1CBr DY116292 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.15 ClC1=NC=CN=C1CBr DY709861 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.15 ClCC1=NC=CC=C1Br DY656902 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.15 ClCC1=NC=CN=C1Cl NO12698 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.15 N#CC1=NC=CN=C1Br DY443142 [1,1,0,0,0,0|1,0,1]=4 460 B9R1.15 N#CC1=NC=CN=C1Cl NO22668 [1,1,0,0,0,0|1,0,1]=4 461 B9R1.15 N#CC1=NC=CN=C1N NO22107 [1,1,0,0,0,0|1,0,1]=4 462 B9R1.15 N#CC1=NC=CN=C1O DY710797 [1,1,0,0,0,0|1,0,1]=4 463 B9R1.15 NC1=NC=CC=C1CO NO13983 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.15 NC1=NC=CN=C1C=O NO13122 [1,1,0,0,0,0|1,0,1]=4 465 B9R1.15 NCC1=C(Br)C=CN=C1 DY651253 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.15 NCC1=C(O)C=CN=C1 DY656620 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.15 NCC1=CC=CN=C1F DY538641 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.15 NCC1=NC=CC=C1Br DY713191 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.15 NCC1=NC=CC=C1N DY654384 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.15 NCC1=NC=CN=C1Cl NO14522 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.15 NCC1=NC=CN=C1Cl NO14728 [1,1,0,0,0,0|1,0,0]=3 472 B9R1.15 OCC1=C(Cl)C=CN=C1 NO17105 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.15 OCC1=CC=CN=C1Cl NO14328 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.15 OCC1=CC=CN=C1F NO18697 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.15 OCC1=NC=CC=C1Cl NO17318 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.15 OCC1=NC=CC=C1O DY20200 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.7 CC1=NC(CCCl)=CS1 DY605062 [0,1,0,0,1,0|2,0,0]=4 478 B9R1.7 CCCC1=CSC(N)=N1 NO13157 [0,1,0,0,1,0|1,0,0]=3 479 B9R1.7 CCCN1C=C(N)C=N1 DY606537 [0,1,0,0,1,0|1,0,0]=3 480 B9R1.7 CCCN1C=C(N)C=N1 DY645468 [0,1,0,0,1,0|1,0,0]=3 481 B9R1.7 CCCN1C=CC(I)=N1 DY647313 [0,1,0,0,1,0|1,0,0]=3 482 B9R1.7 CCSC1=NC(N)=NS1 DY791169 [0,1,0,0,1,0|2,0,0]=4 483 B9R1.7 CNCC1=CN=C(Cl)S1 NO17581 [0,1,0,0,1,0|2,0,0]=4 484 B9R1.7 CNCC1=NC(C)=CN1 DY611361 [0,1,0,0,1,0|1,0,1]=4 485 B9R1.7 COCC1=NNC(N)=N1 DY605261 [0,1,0,0,1,0|2,0,0]=4 486 B9R1.7 COCC1=NSC(Cl)=N1 DY531501 [0,1,0,0,1,0|2,0,0]=4 487 B9R1.7 NC1=NN(CCO)C=C1 NO16129 [0,1,0,0,1,0|2,0,0]=4 488 B9R1.7 NCCC1=CN=C(O)S1 DY110548 [0,1,0,0,1,0|2,0,0]=4 489 B9R1.7 NCCC1=CSC(N)=N1 DY602437 [0,1,0,0,1,0|2,0,0]=4 490 B9R1.7 NCCN1C=C(F)C=N1 DY646050 [0,1,0,0,1,0|2,0,0]=4 491 B9R1.7 OCCC1=CC=C(Br)S1 DY447413 [0,1,0,0,1,0|2,0,0]=4 492 B9R1.11 CC(CCl)N1C=NC=N1 DY609236 [0,1,0,0,1,0|2,0,0]=4 493 B9R1.11 CC(CO)N1C=CC=N1 DY447071 [0,1,0,0,1,0|2,0,0]=4 494 B9R1.11 CCC(N)C1=CN=CN1 DY517449 [0,1,0,0,1,0|0,0,1]=3 495 B9R1.11 CNC(C)C1=CC=CS1 DY609452 [0,1,0,0,1,0|2,0,0]=4 496 B9R1.11 N[C@H](CO)C1=CSC=C1 DY511965 [0,1,0,0,1,0|2,0,0]=4 497 B9R1.12 BrCCCN1C=CC=N1 DY736183 [0,1,0,0,1,0|1,0,0]=3 498 B9R1.12 CCCCC1=CSC=C1 DY550173 [0,1,0,0,1,0|1,0,0]=3 499 B9R1.12 CCCCC1=NC=CN1 DY726205 [0,1,0,0,1,0|0,0,1]=3 500 B9R1.12 CCCCC1=NN=CO1 DY788589 [0,1,0,0,1,0|2,0,0]=4 501 B9R1.12 CCCCC1C=CC=C1 DY114482 [0,1,0,0,1,0|1,0,1]=4 502 B9R1.12 CCOCC1=CC=CO1 NO17009 [0,1,0,0,1,0|1,0,0]=3 503 B9R1.12 CNCCC1=CNN=C1 DY611330 [0,1,0,0,1,0|1,0,0]=3 504 B9R1.12 CSSCC1=CC=CO1 DY759446 [0,1,0,0,1,0|2,0,0]=4 505 B9R1.12 OCCCN1C=CC=N1 DY602524 [0,1,0,0,1,0|1,0,0]=3 506 B9R1.13 CC(=O)CC1=CSC=C1 DY787564 [0,1,0,0,1,0|1,0,1]=4 507 B9R1.13 CC(=O)CN1C=NC=N1 NO13822 [0,1,0,0,1,0|1,0,1]=4 508 B9R1.13 CC(C)CC1=NC=CN1 DY606921 [0,1,0,0,1,0|0,0,1]=3 509 B9R1.13 CC(C)CC1=NC=CS1 NO10134 [0,1,0,0,1,0|1,0,0]=3 510 B9R1.13 C[C@@H](N)CC1=CNC=N1 DY570429 [0,1,0,0,1,0|0,0,1]=3 511 B9R1.33 CC1=C(CCO)SC=N1 NO19563 [0,1,0,0,1,0|2,0,0]=4 512 B9R1.33 CC1=CN=CN1CCN DY725977 [0,1,0,0,1,0|2,0,0]=4 513 B9R1.33 CC1=NC=CN1CCBr DY610893 [0,1,0,0,1,0|2,0,0]=4 514 B9R1.33 CCOC1=C(C)N=CO1 DY20466 [0,1,0,0,1,0|2,0,0]=4 515 B9R1.33 CN1C=CC=C1CCO DY106498 [0,1,0,0,1,0|1,0,1]=4 516 B9R1.33 CN1C=CN=C1CCO DY606807 [0,1,0,0,1,0|1,0,1]=4 517 B9R1.33 CNCC1=NON=C1C DY772851 [0,1,0,0,1,0|2,0,0]=4 518 B9R1.33 NC1=CC=NN1CCF DY644393 [0,1,0,0,1,0|2,0,0]=4 519 B9R1.33 NC1=CC=NN1CCO NO18267 [0,1,0,0,1,0|2,0,0]=4 520 B11R1.1 CCCCC1=CC=C(C)C=C1 DY791931 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.1 CCCCC1=CC=C(Cl)N=N1 DY736856 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.1 CCCCC1=CN=C(C)C=C1 DY797679 [0,2,0,0,0,0|1,0,0]=3 523 B11R1.1 CCCOC1=CC=C(N)N=N1 NO10765 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.1 CCCSC1=CC=C(N)N=N1 DY736922 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.1 CCNCC1=CC=C(Br)N=C1 DY663002 [0,2,0,0,0,0|1,0,0]=3 526 B11R1.1 CCOCC1=CC=C(N)C=C1 DY575247 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.1 CCOCC1=CC=C(O)C=C1 NO16541 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.1 CCOCC1=CN=C(Br)C=C1 DY716528 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.1 CNCCC1=CC=C(Cl)C=C1 DY794949 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.1 COCOC1=NC=C(Br)C=C1 DY659492 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.1 NCCCC1=CC=C(F)C=C1 DY501891 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.1 OCCCC1=CC=C(Cl)C=C1 DY797043 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.1 OCCCC1=CC=C(O)C=C1 DY502467 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.1 OCCSC1=NC=C(Cl)C=C1 DY653586 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 DY433485 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.20 CC(C)NC1=NC=C(N)N=C1 DY710305 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.20 CC(C)OC1=CN=C(Cl)C=N1 NO17390 [0,2,0,0,0,0|1,0,0]=3 538 B11R1.20 CC1=CN=C(NC(C)C)C=C1 DY663641 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 NO20436 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.22 CCC(=O)C1=NC=C(C)C=C1 DY652527 [0,2,0,0,0,0|1,0,1]=4 541 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 NO18281 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.22 CCC(N)C1=CC=C(O)C=C1 DY605123 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 DY621657 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 DY623735 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 NO11655 [0,2,0,0,0,0|1,0,1]=4 546 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 NO14158 [0,2,0,0,0,0|1,0,1]=4 547 B11R1.22 COC(=O)C1=NC=C(O)N=C1 NO19747 [0,2,0,0,0,0|1,0,1]=4 548 B11R1.81 CCOC1=C(C)C=C(O)C=N1 DY715682 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.81 CCOC1=C(C)N=C(N)C=C1 NO10572 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.81 CCOC1=C(F)C=C(N)C=N1 NO17642 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.81 CCOC1=CC=C(Cl)N=C1Cl DY451378 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.83 CCC1=CN=C(CCO)C=C1 NO10373 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.83 CCCC1=CC=C(CN)C=C1 NO10109 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.83 CCCC1=CC=C(CO)C=C1 DY584401 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.83 CCCC1=NC=C(C#N)C=N1 DY605273 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.83 CCCC1=NC=C(C=O)C=N1 DY693610 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.83 CCOC1=CN=C(C=O)C=C1 DY712453 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.83 CNCC1=CC=C(OC)N=C1 DY536517 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.192 CCOC1=CC(C)=C(N)C=N1 DY711829 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.17 CCCOC1=C(O)C=CC=C1 DY20673 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.17 CCNCC1=NC=CN=C1Cl DY710263 [0,2,0,0,0,0|0,0,0]=2 562 B11R1.17 NC1=CC=CN=C1NCCO DY653310 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.17 OCCCC1=C(O)C=CC=C1 DY791619 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.41 COCC1=CC=CN=C1C#N DY656704 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.41 COCC1=CC=CN=C1CCl DY714212 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.86 CC(C)CC1=NC=NC=C1Br DY694769 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.86 CC(C)OC1=NC=CC=C1I DY657345 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.86 CC(N)CC1=C(Cl)C=CC=C1 DY550599 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.182 CCNC1=NC(Br)=CN=C1N NO21262 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.182 CCOC1=C(Br)N=CC(N)=C1 NO12418 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.182 CCOC1=CC(N)=CN=C1N DY657234 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.222 CCC(C)C1=C(N)C=CC=C1 NO21765 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 NO14530 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.222 CNC(=O)C1=NC=CN=C1N DY455616 [0,2,0,0,0,0|1,0,1]=4 575 B11R1.222 COC(=O)C1=NC=CN=C1Br NO12415 [0,2,0,0,0,0|1,0,1]=4 576 B11R1.222 COC(=O)C1=NC=CN=C1C DY585289 [0,2,0,0,0,0|1,0,1]=4 577 B11R1.222 COC(=O)C1=NC=CN=C1Cl NO18208 [0,2,0,0,0,0|1,0,1]=4 578 B11R1.222 COC(=O)C1=NC=CN=C1N NO21912 [0,2,0,0,0,0|1,0,1]=4 579 B11R1.222 COC(=O)C1=NC=CN=C1O NO11607 [0,2,0,0,0,0|1,0,1]=4 580 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 DY652484 [0,2,0,0,0,0|1,0,1]=4 581 B11R1.23 CCC(N)C1=NC(C)=CC=C1 DY606027 [0,2,0,0,0,0|1,0,0]=3 582 B11R1.23 CC[C@@H](N)C1=CC(Cl)=CC=C1 DY508850 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 DY585435 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 NO12870 [0,2,0,0,0,0|1,0,1]=4 585 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 NO12231 [0,2,0,0,0,0|1,0,1]=4 586 B11R1.23 COC(=O)C1=NC(N)=CN=C1 DY509990 [0,2,0,0,0,0|1,0,1]=4 587 B11R1.24 CCCOC1=NC=CC(Br)=C1 DY430459 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.24 CCNCC1=CC=CC(O)=C1 DY579381 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.24 CNCCC1=CC(C)=CC=C1 DY520263 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.24 OCCNC1=NC(Cl)=CC=C1 DY653604 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.34 CCCC1=CC(Cl)=NC(C)=N1 DY455610 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.34 CCCC1=NC(C)=CC(Cl)=N1 DY603027 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.157 CC(C)CC1=CC=CC(N)=C1 DY822133 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.157 CC(N)CC1=CC(Br)=CC=C1 DY511737 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 NO12495 [0,2,0,0,0,0|1,0,1]=4 596 B11R1.189 CCOC1=CC(C#N)=CN=C1 DY660008 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.7 CCC(C)(C)C1=CC=CC=C1 DY460530 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.12 CCB(CC)C1=CC=CN=C1 DY10329 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.12 CCC(CN)C1=CC=CC=C1 DY745495 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.12 CCC(NC)C1=CC=CN=C1 DY604352 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.12 CC[C@@H](CO)C1=CC=CC=C1 DY622143 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.16 CCCC(=O)C1=NC=CN=C1 DY710605 [0,2,0,0,0,0|0,0,0]=2 603 B11R1.16 CCOC(=N)C1=CN=CC=C1 DY714620 [0,2,0,0,0,0|1,0,1]=4 604 B11R1.16 CCOC(=O)C1=CN=CC=C1 NO19194 [0,2,0,0,0,0|1,0,1]=4 605 B11R1.16 CCOC(=O)C1=NC=CC=C1 NO14035 [0,2,0,0,0,0|1,0,1]=4 606 B11R1.16 CNCC(O)C1=CC=CC=C1 DY446674 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.16 CNCC(O)C1=CC=CN=C1 DY585887 [0,2,0,0,0,0|1,0,0]=3 608 B11R1.16 COC[C@H](N)C1=CC=CN=C1 DY716756 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.16 ClCCC(Cl)C1=CC=CC=C1 DY522237 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 NO21217 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.16 OC(CCCl)C1=CC=CC=C1 NO22197 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 NO10897 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 DY20313 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 DY662080 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.36 CC(C)C(O)c1ccccc1 DY822221 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 DY567369 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 DY625015 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 DY620130 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.28 BrCCCCC1=CC=CC=C1 DY519843 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.28 BrCCCOC1=CC=CC=C1 NO15031 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.28 C#CCNCC1=CC=CN=C1 DY516357 [0,2,0,0,0,0|1,0,1]=4 623 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.28 CNCCOC1=CC=CC=C1 DY551817 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.28 COCCSC1=NC=CC=C1 DY713737 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.28 N#CCCCC1=CC=CC=C1 DY461028 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.28 NCCCCC1=NC=CC=C1 DY603285 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.28 O=CCCCC1=CC=CN=C1 DY657979 [0,2,0,0,0,0|1,0,0]=3 630 B11R1.28 OCCCCC1=CC=CC=C1 NO11170 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.28 OCCCCC1=NC=CC=C1 DY532905 [0,2,0,0,0,0|1,0,0]=3 632 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.40 CCC(N)CC1=CC=CC=C1 DY538887 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.40 COC(=O)CC1=NC=CN=C1 DY551613 [0,2,0,0,0,0|0,0,1]=3 635 B11R1.40 NCC(O)CC1=CC=CC=C1 DY745903 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 DY425862 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 NO21216 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.40 [C-]#[N+][C@@H](C)CC1=CC=CC=C1 DY744979 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.91 CC(=O)CCC1=CC=CN=C1 DY560043 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.91 CC(C)COC1=NC=CC=C1 DY655892 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.91 CC(O)CCC1=CC=CC=C1 DY746761 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.91 N=C(N)CCC1=NC=CC=C1 DY459714 [0,2,0,0,0,0|1,0,1]=4 643 B11R1.91 NC(=O)CCC1=NC=CC=C1 DY713935 [0,2,0,0,0,0|1,0,1]=4 644 B9R1.14 CCN1C=CN=C1C=O NO13816 [0,0,1,1,0,0|2,0,0]=4 645 B9R2.50 C1=CC=C2CCC2=C1 NO19267 [1,0,0,1,0,0|2,0,0]=4 646 B9R2.2 C1=CN(C2CC2)N=C1 NO16850 [0,0,0,1,1,0|1,0,0]=3 647 B9R2.3 C1=CN2CCCC2=N1 DY562383 [0,0,0,1,1,0|0,0,1]=3 648 B9R2.3 C1=NC=C2SCN=C12 DY673404 [0,0,0,1,1,0|2,0,0]=4 649 B9R2.3 C1=NN2CCCC2=C1 NO12798 [0,0,0,1,1,0|1,0,0]=3 650 B9R2.3 C1=NNC2=C1CSC2 DY524469 [0,0,0,1,1,0|2,0,0]=4 651 B11R2.34 BrC1=CC=C(C2CC2)C=C1 NO22811 [0,1,0,1,0,0|2,0,0]=4 652 B11R2.34 BrC1=CC=C(C2CC2)N=N1 DY736454 [0,1,0,1,0,0|2,0,0]=4 653 B11R2.34 BrC1=CN=C(C2CC2)C=C1 DY561543 [0,1,0,1,0,0|1,0,0]=3 654 B11R2.34 CC1=CC=C(C2CC2)C=C1 DY789057 [0,1,0,1,0,0|2,0,0]=4 655 B11R2.34 NC1=CC=C(C2CC2)C=C1 DY548169 [0,1,0,1,0,0|2,0,0]=4 656 B11R2.34 NC1=CC=C(C2CC2)C=C1 NO17100 [0,1,0,1,0,0|2,0,0]=4 657 B11R2.34 O=C1C=CC(C2CC2)=NN1 DY508664 [0,1,0,1,0,0|2,0,0]=4 658 B11R2.34 OC1=NC=C(C2CC2)C=C1 DY508466 [0,1,0,1,0,0|1,0,0]=3 659 B11R2.36 BrC1=CN=C2CCCC2=C1 NO22164 [0,1,0,1,0,0|1,0,0]=3 660 B11R2.36 BrC1=CN=C2NCCC2=C1 DY533421 [0,1,0,1,0,0|2,0,0]=4 661 B11R2.36 BrC1=CN=C2NCCC2=C1 NO18623 [0,1,0,1,0,0|2,0,0]=4 662 B11R2.36 ClC1=CC2=C(C=N1)CCN2 NO14935 [0,1,0,1,0,0|2,0,0]=4 663 B11R2.36 FC1=CC=C2CCCC2=C1 NO16751 [0,1,0,1,0,0|2,0,0]=4 664 B11R2.36 IC1=CN=C2CCCC2=C1 DY675123 [0,1,0,1,0,0|1,0,0]=3 665 B11R2.36 NC1=CN=C2CCCC2=C1 DY100354 [0,1,0,1,0,0|1,0,0]=3 666 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 DY541863 [0,1,0,1,0,0|2,0,0]=4 667 B11R2.10 ClC1CC2=CC=CC=C2C1 DY686677 [0,1,0,1,0,0|2,0,0]=4 668 B11R2.10 OC1CC2=CC=CC=C2C1 NO21608 [0,1,0,1,0,0|2,0,0]=4 669 B11R2.20 C1=CC2=C(C=N1)NCCN2 DY669326 [0,1,0,1,0,0|2,0,0]=4 670 B11R2.20 C1=CC2=C(CCCC2)N=C1 NO13407 [0,1,0,1,0,0|1,0,0]=3 671 B11R2.20 C1=CC2=C(CCNC2)N=C1 NO14841 [0,1,0,1,0,0|1,0,0]=3 672 B11R2.20 C1=CC2=C(N=C1)NCCN2 NO12464 [0,1,0,1,0,0|2,0,0]=4 673 B11R2.20 C1=CC=C2CNCCC2=C1 NO19412 [0,1,0,1,0,0|2,0,0]=4 674 B11R2.20 C1=CC=C2COCCC2=C1 NO19933 [0,1,0,1,0,0|2,0,0]=4 675 B11R2.20 C1=CN=C2NCCCC2=C1 NO20465 [0,1,0,1,0,0|1,0,0]=3 676 B11R2.20 C1=NC2=C(CCCC2)N=C1 NO14173 [0,1,0,1,0,0|0,0,0]=2 677 B11R2.20 C1=NC=C2CCCNC2=C1 DY105356 [0,1,0,1,0,0|1,0,0]=3 678 B11R2.20 C1=NC=C2CCNCC2=C1 NO15863 [0,1,0,1,0,0|1,0,0]=3 679 B11R2.20 C1=NC=C2CNCCC2=C1 DY113298 [0,1,0,1,0,0|1,0,0]=3 680 B11R2.20 C1=NC=C2CNCCC2=C1 NO17812 [0,1,0,1,0,0|1,0,0]=3 681 B11R2.20 C1=NC=NC2=C1CCCC2 DY447449 [0,1,0,1,0,0|2,0,0]=4 682 B11R2.20 C1=NC=NC2=C1CNCC2 NO11914 [0,1,0,1,0,0|2,0,0]=4 683 B11R2.20 C1=NC=NC2=C1CNCC2 NO15273 [0,1,0,1,0,0|2,0,0]=4 684 B11R2.55 BrC1=CN=CN=C1C2CC2 DY518871 [0,1,0,1,0,0|2,0,0]=4 685 B11R2.55 BrC1=NC=CC=C1C2CC2 NO16928 [0,1,0,1,0,0|1,0,0]=3 686 B11R2.55 FC1=NC=CC=C1C2CC2 DY451828 [0,1,0,1,0,0|1,0,0]=3 687 B11R2.55 NC1=C(C2CC2)C=NC=C1 NO17282 [0,1,0,1,0,0|1,0,0]=3 688 B11R2.55 OC1=C(C2CC2)C=CC=C1 DY757459 [0,1,0,1,0,0|2,0,0]=4 689 B11R2.106 BrC1=C2CCCC2=CC=C1 NO16754 [0,1,0,1,0,0|2,0,0]=4 690 B11R2.106 BrC1=C2CNCC2=NC=C1 DY585212 [0,1,0,1,0,0|2,0,0]=4 691 B11R2.106 ClC1=C2CCCC2=NC=C1 NO12915 [0,1,0,1,0,0|1,0,0]=3 692 B11R2.106 ClC1=C2CCNC2=CN=C1 DY585263 [0,1,0,1,0,0|2,0,0]=4 693 B11R2.106 ClC1=C2NCCC2=CC=N1 DY518367 [0,1,0,1,0,0|2,0,0]=4 694 B11R2.106 ClC1=NC=CC2=C1CNC2 DY676268 [0,1,0,1,0,0|2,0,0]=4 695 B11R2.106 OC1=CC=CC2=C1CCC2 NO22898 [0,1,0,1,0,0|2,0,0]=4 696 B11R2.106 OC1=CC=NC2=C1CCN2 DY534099 [0,1,0,1,0,0|2,0,0]=4 697 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 DY579003 [0,1,0,1,0,0|1,0,1]=4 698 B11R2.35 BrC1=NC(C2CC2)=CN=C1 DY710839 [0,1,0,1,0,0|0,0,0]=2 699 B11R2.35 BrC1=NC=NC(C2CC2)=C1 DY758491 [0,1,0,1,0,0|2,0,0]=4 700 B11R2.35 OC1=NC(C2CC2)=NC=C1 DY693460 [0,1,0,1,0,0|2,0,0]=4 701 B11R2.1 CC1CCC2=NC=CN=C21 DY543411 [0,1,0,1,0,0|0,0,0]=2 702 B11R2.1 CC1CNC2=NC=CC=C21 DY739061 [0,1,0,1,0,0|1,0,0]=3 703 B11R2.1 NC1CCC2=CC=CC=C21 NO19275 [0,1,0,1,0,0|2,0,0]=4 704 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 NO19803 [0,1,0,1,0,0|2,0,0]=4 705 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO16005 [0,1,0,1,0,0|2,0,0]=4 706 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO20307 [0,1,0,1,0,0|2,0,0]=4 707 B11R2.1 N[C@H]1CCC2=NC=CC=C21 DY515745 [0,1,0,1,0,0|1,0,0]=3 708 B11R2.1 O=C1CCC2=CC=CN=C12 NO10816 [0,1,0,1,0,0|1,0,1]=4 709 B11R2.1 O=C1CCC2=NC=CC=C12 NO18212 [0,1,0,1,0,0|1,0,1]=4 710 B11R2.1 OC1CCC2=CC=CN=C21 NO10573 [0,1,0,1,0,0|1,0,0]=3 711 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 DY567765 [0,1,0,1,0,0|2,0,0]=4 712 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 DY559809 [0,1,0,1,0,0|2,0,0]=4 713 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 DY537225 [0,1,0,1,0,0|2,0,0]=4 714 B11R2.40 NC1(C2=CC=CN=C2)CC1 DY557109 [0,1,0,1,0,0|1,0,0]=3 715 B11R2.40 NC1(C2=NC=CN=C2)CC1 DY514569 [0,1,0,1,0,0|0,0,0]=2 716 B11R2.40 NC1(c2ncccn2)CC1 DY104702 [0,1,0,1,0,0|2,0,0]=4 717 B11R2.239 C1=CC=C(C2CCO2)C=C1 DY732709 [0,1,0,1,0,0|2,0,0]=4 718 B11R2.239 C1=CN=C(C2CNC2)N=C1 DY513543 [0,1,0,1,0,0|2,0,0]=4 719 B11R2.239 C1=CN=C(C2CNC2)N=C1 DY719338 [0,1,0,1,0,0|2,0,0]=4 720 B11R2.239 C1=CN=C(C2COC2)C=C1 DY732907 [0,1,0,1,0,0|1,0,0]=3 721 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 NO19482 [0,1,0,1,0,0|2,0,0]=4 722 B11R2.238 C1=CC=C(SC2CC2)C=C1 DY20576 [0,1,0,1,0,0|2,0,0]=4 723 B7R1.1 BrCC1=CSC=N1 DY583383 [1,0,0,0,1,0|2,0,0]=4 724 B7R1.1 BrCC1=NC=CS1 NO12090 [1,0,0,0,1,0|2,0,0]=4 725 B7R1.1 CCC1=NC=CN1 NO21533 [1,0,0,0,1,0|0,0,1]=3 726 B7R1.1 CCN1C=CC=N1 NO20681 [1,0,0,0,1,0|1,0,0]=3 727 B7R1.1 CNC1=CC=CS1 DY786838 [1,0,0,0,1,0|2,0,0]=4 728 B7R1.1 CNC1=NNC=C1 DY555147 [1,0,0,0,1,0|2,0,0]=4 729 B7R1.1 COC1=CC=CO1 DY759896 [1,0,0,0,1,0|2,0,0]=4 730 B7R1.1 COC1=CNC=N1 DY725797 [1,0,0,0,1,0|1,0,1]=4 731 B7R1.1 COC1=CSC=C1 NO22351 [1,0,0,0,1,0|2,0,0]=4 732 B7R1.1 COC1=NC=CS1 NO22597 [1,0,0,0,1,0|2,0,0]=4 733 B7R1.1 CSC1=NC=CO1 NO17723 [1,0,0,0,1,0|2,0,0]=4 734 B7R1.1 ClCC1=CC=CO1 NO13429 [1,0,0,0,1,0|2,0,0]=4 735 B7R1.1 ClCC1=CN=CO1 DY114644 [1,0,0,0,1,0|2,0,0]=4 736 B7R1.1 ClCC1=CN=CS1 NO16156 [1,0,0,0,1,0|2,0,0]=4 737 B7R1.1 ClCC1=CSC=N1 DY571191 [1,0,0,0,1,0|2,0,0]=4 738 B7R1.1 ClCC1=CSC=N1 DY586637 [1,0,0,0,1,0|2,0,0]=4 739 B7R1.1 ClCC1=NC=CN1 NO20896 [1,0,0,0,1,0|1,0,1]=4 740 B7R1.1 ClCN1C=CC=N1 DY644922 [1,0,0,0,1,0|2,0,0]=4 741 B7R1.1 NCC1=CC=CN1 NO14874 [1,0,0,0,1,0|1,0,1]=4 742 B7R1.1 NCC1=CC=CS1 NO22783 [1,0,0,0,1,0|2,0,0]=4 743 B7R1.1 NCC1=CN=CO1 NO17502 [1,0,0,0,1,0|2,0,0]=4 744 B7R1.1 NCC1=CN=CO1 NO18508 [1,0,0,0,1,0|2,0,0]=4 745 B7R1.1 NCC1=CN=CS1 DY517137 [1,0,0,0,1,0|2,0,0]=4 746 B7R1.1 NCC1=CNC=N1 NO15263 [1,0,0,0,1,0|1,0,1]=4 747 B7R1.1 NCC1=CNC=N1 NO16828 [1,0,0,0,1,0|1,0,1]=4 748 B7R1.1 NCC1=CON=C1 DY531627 [1,0,0,0,1,0|2,0,0]=4 749 B7R1.1 NCC1=CSC=C1 NO22417 [1,0,0,0,1,0|2,0,0]=4 750 B7R1.1 NCC1=CSC=N1 DY116268 [1,0,0,0,1,0|2,0,0]=4 751 B7R1.1 NCC1=NC=CO1 DY773829 [1,0,0,0,1,0|2,0,0]=4 752 B7R1.1 NCC1=NC=CS1 DY560307 [1,0,0,0,1,0|2,0,0]=4 753 B7R1.1 NCC1=NNC=C1 NO15493 [1,0,0,0,1,0|2,0,0]=4 754 B7R1.1 OCC1=CC=NO1 NO15343 [1,0,0,0,1,0|2,0,0]=4 755 B7R1.1 OCC1=CN=CS1 NO16191 [1,0,0,0,1,0|2,0,0]=4 756 B7R1.1 OCC1=CNN=C1 NO20094 [1,0,0,0,1,0|2,0,0]=4 757 B7R1.1 OCC1=COC=C1 NO22303 [1,0,0,0,1,0|2,0,0]=4 758 B7R1.1 OCC1=CSC=C1 NO18039 [1,0,0,0,1,0|2,0,0]=4 759 B7R1.1 OCC1=CSC=N1 NO22892 [1,0,0,0,1,0|2,0,0]=4 760 B7R1.1 OCC1=NC=NN1 DY116570 [1,0,0,0,1,0|2,0,0]=4 761 B7R1.1 OCN1C=CC=N1 NO11902 [1,0,0,0,1,0|2,0,0]=4 762 B7R1.1 OCN1C=CN=C1 DY726289 [1,0,0,0,1,0|2,0,0]=4