0 B10R1.1 BrCCC1=CC=C(Br)C=C1 DY531753 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 CC#CC1=CC=C(Br)C=C1 DY788811 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.1 CC1=CC=C(CC#N)C=C1 NO21709 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.1 CC1=CC=C(CNN)C=C1 NO20201 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.1 CC1=CN=C(CCN)C=C1 DY654264 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.1 CCCC1=CC=C(Br)C=C1 NO10896 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.1 CCNC1=CC=C(C)C=C1 DY822062 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.1 CCNC1=CC=C(Cl)C=C1 DY745663 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.1 CCOC1=CC=C(I)C=C1 NO22907 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.1 CCOC1=CC=C(N)C=C1 NO11879 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.1 CCOC1=CC=C(O)C=C1 DY563859 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.1 CNCC1=CC=C(Br)C=C1 NO19272 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.1 CNCC1=CC=C(Cl)C=C1 DY455886 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.1 CNCC1=CC=C(Cl)N=C1 DY511497 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.1 CNCC1=CC=C(F)C=C1 DY585104 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.1 COCC1=CC=C(O)C=N1 DY712897 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.1 COCC1=NC=C(O)C=N1 DY693100 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.1 CSCC1=CN=C(Cl)C=C1 DY606927 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.1 CSCC1=NC=C(Br)C=C1 DY112104 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.1 ClC1=CC=C(CCBr)C=C1 NO10835 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.1 ClCCC1=CN=C(Cl)C=C1 DY714175 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.1 FC1=CC=C(CCBr)C=C1 NO10866 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.1 FC1=CC=C(CCCl)C=C1 DY584346 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.1 N#CCC1=CC=C(Br)C=C1 NO20687 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.1 N#CCC1=CC=C(Cl)C=C1 DY20790 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.1 N#CCC1=CC=C(Cl)N=C1 NO19041 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.1 N#CCC1=CC=C(F)C=C1 NO14479 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.1 N#CCC1=CC=C(O)C=C1 DY522681 [0,0,0,0,0,0|1,0,1]=2 31 B10R1.1 N#CCC1=NC=C(Br)C=C1 NO19461 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.1 N#CCC1=NC=C(Cl)C=C1 NO15674 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.1 NC1=CC=C(CCO)C=C1 NO13450 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.1 NCCC1=CC=C(Br)C=C1 NO19296 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.1 NCCC1=CC=C(F)C=C1 NO13766 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY570291 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY583979 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.1 NNCC1=CC=C(F)C=C1 DY567861 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.1 NNCC1=CC=C(F)C=C1 NO17057 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.1 O=C=NC1=CC=C(F)C=C1 DY33036 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.1 O=CCC1=CC=C(Br)C=C1 NO18203 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.1 OCCC1=CC=C(Br)C=C1 NO14491 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.1 OCCC1=CC=C(Cl)C=C1 NO22791 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.1 OCCC1=CC=C(Cl)N=C1 DY509192 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.1 OCCC1=CC=C(O)C=C1 NO20458 [0,0,0,0,0,0|1,0,1]=2 46 B9R1.1 BrCC1=CC=C(Br)C=C1 NO19166 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.1 BrCC1=CC=C(I)C=C1 NO20172 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.1 BrCC1=CN=C(Br)C=C1 DY655150 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 C#CC1=CN=C(O)C=C1 NO16476 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.1 C=CC1=CC=C(Cl)N=N1 DY736538 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.1 CC1=CC=C(C#N)C=C1 NO19807 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 CC1=CC=C(CBr)C=C1 NO22969 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.1 CC1=CC=C(CCl)C=C1 DY40603 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 CC1=CC=C(CN)C=C1 NO22970 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.1 CC1=CC=C(CO)C=C1 NO19704 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.1 CC1=CC=C(CO)C=N1 DY21041 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 CC1=CC=C(NN)C=C1 NO19576 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 CC1=CN=C(C=O)C=C1 NO19088 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 CC1=CN=C(CN)C=C1 DY711847 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.1 CC1=CN=C(CN)C=C1 NO18319 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.1 CC1=NC=C(C=O)C=C1 NO19116 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.1 CC1=NC=C(CCl)C=C1 DY585961 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.1 CCC1=CC=C(Br)C=C1 NO10865 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.1 CCC1=CC=C(Cl)C=C1 DY584444 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.1 CCC1=CC=C(F)C=C1 DY20965 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.1 CCC1=CC=C(I)C=C1 DY20189 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.1 CCC1=CC=C(N)C=N1 DY515529 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.1 CCC1=CC=C(O)C=C1 DY20188 [1,0,0,0,0,0|0,0,1]=2 69 B9R1.1 CCC1=CN=C(Br)C=C1 NO13124 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.1 CCC1=CN=C(C)C=C1 DY20566 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.1 CCC1=CN=C(N)C=C1 DY585943 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.1 CCC1=NC=C(Br)C=C1 NO12376 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.1 CNC1=CC=C(I)C=C1 NO22906 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.1 COC1=CC=C(N)C=C1 DY584663 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.1 COC1=CC=C(N)C=C1 NO18580 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.1 COC1=CC=C(O)C=C1 NO22939 [1,0,0,0,0,0|1,0,1]=3 78 B9R1.1 CSC1=CC=C(I)C=C1 DY585121 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.1 CSC1=CC=C(O)C=C1 DY20743 [1,0,0,0,0,0|1,0,1]=3 80 B9R1.1 ClC1=CN=C(CBr)C=C1 NO16112 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.1 ClC1=CN=C(CBr)C=C1 NO17526 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.1 ClCC1=CC=C(Br)C=C1 NO19167 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.1 ClCC1=CC=C(Cl)C=C1 NO19806 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.1 ClCC1=NC=C(Cl)C=C1 DY446951 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 FC1=CC=C(CBr)C=C1 NO19071 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.1 FC1=NC=C(CBr)C=C1 NO13268 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 FCC1=CC=C(Br)C=C1 DY555441 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.1 N#CC1=CC=C(Br)C=C1 NO19210 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.1 N#CC1=CC=C(Cl)C=C1 NO19211 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.1 N#CC1=CC=C(F)C=C1 NO18637 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.1 N#CC1=CC=C(I)C=C1 NO22010 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.1 N#CC1=CC=C(N)C=C1 NO13395 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.1 N#CC1=CC=C(O)C=C1 NO15887 [1,0,0,0,0,0|1,0,1]=3 94 B9R1.1 N#CC1=CC=C(S)C=C1 DY551463 [1,0,0,0,0,0|1,1,1]=4 95 B9R1.1 N#CC1=CN=C(O)C=C1 NO22258 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.1 NC1=CC=C(C=O)C=C1 DY20423 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.1 NCC1=CC=C(Br)C=C1 NO19587 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 NCC1=CC=C(Br)N=C1 NO11090 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 NCC1=CC=C(Cl)N=C1 NO16390 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 NCC1=CC=C(F)C=C1 NO18721 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 NCC1=CC=C(N)C=N1 NO10590 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 NCC1=CC=C(O)C=C1 NO22886 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.1 NCC1=CNC(=O)C=C1 DY585975 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.1 NCC1=NC=C(F)C=C1 DY430169 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 NCC1=NC=C(F)C=C1 NO16554 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 NNC1=CC=C(Br)C=C1 NO15342 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 NNC1=CC=C(Cl)C=C1 NO13495 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.1 NNC1=CC=C(F)C=C1 NO22006 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 O=C1C=CC(CO)=CN1 NO19816 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.1 O=CC1=CC=C(Br)C=C1 NO18612 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.1 O=CC1=CC=C(Cl)C=C1 NO14843 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.1 O=CC1=CC=C(F)C=C1 NO19072 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.1 O=CC1=CC=C(I)C=C1 NO20133 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 O=CC1=CC=C(O)C=C1 NO18686 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.1 O=CC1=CN=C(Br)C=C1 NO13736 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 O=CC1=CN=C(Cl)C=C1 NO13978 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 O=CC1=CN=C(F)C=C1 NO19261 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 O=CC1=CN=C(O)C=C1 NO13494 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.1 O=CC1=NC=C(Cl)C=C1 NO18956 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 O=CC1=NC=C(F)C=C1 NO20057 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 O=CC1=NC=C(I)C=C1 DY585661 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 O=CC1=NC=C(O)C=C1 NO12167 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 OCC1=CC=C(Br)C=C1 NO19378 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 OCC1=CC=C(Cl)C=C1 NO19353 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.1 OCC1=CC=C(O)C=C1 NO19212 [1,0,0,0,0,0|1,0,0]=2 126 B9R1.1 OCC1=CN=C(Cl)C=C1 DY20657 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 OCC1=NC=C(Br)C=C1 NO23005 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 OCC1=NC=C(Cl)C=C1 NO21758 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 OCC1=NC=C(F)C=C1 NO10382 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.8 C#CCC1=CC=CC=C1 DY501873 [1,0,0,0,0,0|0,0,2]=3 132 B9R1.8 CCCC1=CC=CN=C1 NO22402 [1,0,0,0,0,0|1,0,2]=4 133 B9R1.8 CNCC1=CC=CC=C1 DY10559 [1,0,0,0,0,0|1,0,1]=3 134 B9R1.8 CNCC1=CC=CC=C1 DY20323 [1,0,0,0,0,0|1,0,1]=3 135 B9R1.8 CNCC1=CC=CC=C1 DY21006 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.8 CNCC1=CC=CN=C1 NO18846 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.8 CNCC1=CC=NC=C1 DY712153 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.8 CNCC1=NC=CC=C1 DY501242 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.8 CNCC1=NC=CC=C1 DY663671 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.8 COCC1=NC=CC=C1 NO20909 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.8 ClCCC1=CC=NC=C1 NO17913 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.8 N#CCC1=CC=CN=C1 NO18407 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.8 N#CCC1=CC=NC=C1 NO20239 [1,0,0,0,0,0|2,0,1]=4 145 B9R1.8 N#CCC1=NC=CC=C1 NO18926 [1,0,0,0,0,0|2,0,1]=4 146 B9R1.8 N#C[Se]C1=CC=CC=C1 DY822031 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.8 NCCC1=CC=CN=C1 NO21892 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.8 NCCC1=NC=CC=C1 NO14064 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.8 NNCC1=CC=CC=C1 NO11006 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.8 NNCC1=CC=CC=C1 NO12127 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.8 NNCC1=CC=NC=C1 DY518961 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.8 NNCC1=NC=CC=C1 DY578445 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.8 NOCC1=CC=CC=C1 NO14063 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.8 ONCC1=CC=CC=C1 DY563853 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.8 ONCC1=CC=CC=C1 NO11753 [1,0,0,0,0,0|2,0,0]=3 156 B11R1.1 BrCCOc1ccc(Br)cc1 DY452404 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 NO16393 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.1 CCCCC1=CC=C(C)C=C1 DY791931 [0,1,0,0,0,0|1,0,2]=4 159 B11R1.1 CCOCC1=CC=C(N)C=C1 DY575247 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.1 CCOCC1=CC=C(O)C=C1 NO16541 [0,1,0,0,0,0|0,0,2]=3 161 B11R1.1 CNCCC1=CC=C(Cl)C=C1 DY794949 [0,1,0,0,0,0|1,0,2]=4 162 B11R1.1 COCOC1=CC=C(C)C=C1 DY449074 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.1 COCOC1=CC=C(Cl)C=C1 DY449092 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.1 COCOC1=CC=C(F)C=C1 DY449098 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.1 ClC1=CC=C(OCCBr)C=C1 DY20815 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.1 N#CCSC1=CC=C(F)C=C1 DY792519 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.1 N#C\C=C\C1=CC=C(F)C=C1 DY107446 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.1 NCCCC1=CC=C(F)C=C1 DY501891 [0,1,0,0,0,0|1,0,2]=4 169 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 NO14013 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.1 OCCCC1=CC=C(Cl)C=C1 DY797043 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.1 OCCCC1=CC=C(O)C=C1 DY502467 [0,1,0,0,0,0|0,0,2]=3 172 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 DY10315 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 NO22844 [0,1,0,0,0,0|1,0,1]=3 174 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 DY20138 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 DY433485 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 DY797913 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 NO21084 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 NO14692 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 NO21002 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 NO20812 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 NO10817 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 NO20852 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 NO13319 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 NO14073 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 DY512037 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.22 CC(CO)C1=CC=C(Br)C=C1 DY454677 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 NO15690 [0,1,0,0,0,0|0,0,3]=4 188 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 NO18281 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.22 CCC(N)C1=CC=C(O)C=C1 DY605123 [0,1,0,0,0,0|0,0,2]=3 190 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 DY621657 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 DY623735 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.22 COC(=O)C1=CC=C(O)C=C1 NO19446 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.22 C[C@H](CO)C1=CC=C(F)C=C1 DY624193 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.22 NCC(O)C1=CC=C(F)C=C1 DY746641 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 DY507920 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 NO10771 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 DY427408 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 NO15989 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 DY575259 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 NO20192 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 NO18120 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 DY822069 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.81 N#CCC1=C(Br)C=C(Cl)C=C1 DY40754 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 NO13698 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.81 N#CCC1=C(Cl)C=C(Cl)C=C1 NO15393 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.81 N#CCC1=C(Cl)C=C(F)C=C1 NO20640 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 NO22644 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 NO10683 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 DY557865 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 DY584702 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.83 C#CC1=CC=C(CC#N)C=C1 DY550389 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.83 C#CCC1=CC=C(OC)C=C1 DY519381 [0,1,0,0,0,0|0,0,2]=3 213 B11R1.83 C=CCC1=CC=C(OC)C=C1 DY521667 [0,1,0,0,0,0|0,0,0]=1 214 B11R1.83 CC#CC1=CC=C(OC)C=C1 DY788841 [0,1,0,0,0,0|0,0,3]=4 215 B11R1.83 CCC1=CC=C(CNN)C=C1 DY610819 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.83 CCCC1=CC=C(CN)C=C1 NO10109 [0,1,0,0,0,0|1,0,2]=4 217 B11R1.83 CCCC1=CC=C(CO)C=C1 DY584401 [0,1,0,0,0,0|0,0,2]=3 218 B11R1.83 CCOC1=CC=C(CO)C=C1 NO22820 [0,1,0,0,0,0|1,0,2]=4 219 B11R1.83 CNCC1=CC=C(OC)C=C1 NO18429 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.83 CNCC1=CC=C(OC)N=C1 DY536517 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.83 COC1=CC=C(CC#N)C=C1 NO13459 [0,1,0,0,0,0|1,0,1]=3 222 B11R1.83 COC1=CC=C(CNN)C=C1 NO20199 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.83 COC1=CC=C(CON)C=C1 NO20566 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 NO10928 [0,1,0,0,0,0|0,0,2]=3 225 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 NO10929 [0,1,0,0,0,0|0,0,2]=3 226 B11R1.83 N#CC1=CC=C(CCBr)C=C1 NO12532 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.83 N#CC1=CC=C(CCN)C=C1 NO22808 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.83 N#CC1=CC=C(CCO)C=C1 NO22434 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.83 O=CC1=CC=C(CCO)C=C1 NO16581 [0,1,0,0,0,0|1,0,2]=4 230 B11R1.192 CC1=C(Br)C=C(CC#N)C=C1 DY584714 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.192 CC1=C(F)C=CC(CC#N)=C1 DY40778 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 NO11711 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.192 CNCC1=CC=C(O)C(O)=C1 DY502761 [0,1,0,0,0,0|1,0,1]=3 234 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 DY584641 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.192 Fc1ccc(C[Zn]Br)cc1F DY794193 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 NO20633 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.192 N#CCC1=CC(Cl)=C(F)C=C1 NO18657 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.192 N#CCC1=CC(F)=C(Br)C=C1 NO15044 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 NO21933 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.192 NCCC1=CC(F)=C(F)C=C1 DY584648 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.192 NCCC1=CC=C(O)C(O)=C1 NO15345 [0,1,0,0,0,0|1,0,1]=3 242 B11R1.192 O=CCC1=CC(O)=C(O)C=C1 DY745117 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 NO21932 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.192 OCCC1=CC(Cl)=C(F)C=C1 DY584825 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 DY584900 [0,1,0,0,0,0|2,0,1]=4 246 B11R2.34 BrC1=CC=C(C2CC2)C=C1 NO22811 [0,0,0,1,0,0|1,0,2]=4 247 B11R2.34 CC1=CC=C(C2CC2)C=C1 DY789057 [0,0,0,1,0,0|1,0,2]=4 248 B11R2.34 FC1=CC=C(C2CO2)C=C1 DY534555 [0,0,0,1,0,0|2,0,1]=4 249 B11R2.34 NC1=CC=C(C2CC2)C=C1 DY548169 [0,0,0,1,0,0|1,0,2]=4 250 B11R2.34 NC1=CC=C(C2CC2)C=C1 NO17100 [0,0,0,1,0,0|1,0,2]=4 251 B11R2.34 OC1=NC=C(C2CC2)C=C1 DY508466 [0,0,0,1,0,0|1,0,2]=4 252 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 NO14721 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 NO10619 [0,0,0,1,0,0|3,0,0]=4 254 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 NO10238 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 NO12317 [0,0,0,1,0,0|3,0,0]=4 256 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 DY20420 [0,0,0,1,0,0|2,0,0]=3 257 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 NO10670 [0,0,0,1,0,0|2,0,0]=3 258 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 NO10299 [0,0,0,1,0,0|3,0,0]=4 259 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 NO12830 [0,0,0,1,0,0|2,0,1]=4 260 B11R2.36 BrC1=CC=C2C=CCC2=C1 DY549009 [0,0,0,1,0,0|1,0,2]=4 261 B11R2.36 BrC1=CC=C2C=CNC2=C1 NO22089 [0,0,0,1,0,0|2,0,1]=4 262 B11R2.36 BrC1=CC=C2CCNC2=C1 NO17623 [0,0,0,1,0,0|2,0,1]=4 263 B11R2.36 BrC1=CC=C2CNCC2=C1 DY20658 [0,0,0,1,0,0|2,0,1]=4 264 B11R2.36 BrC1=CC=C2CNCC2=C1 NO14408 [0,0,0,1,0,0|2,0,1]=4 265 B11R2.36 BrC1=CC=C2NC=CC2=C1 NO17784 [0,0,0,1,0,0|2,0,0]=3 266 B11R2.36 BrC1=CC=C2NN=CC2=C1 NO15506 [0,0,0,1,0,0|3,0,0]=4 267 B11R2.36 BrC1=CC=C2SC=CC2=N1 DY441902 [0,0,0,1,0,0|3,0,0]=4 268 B11R2.36 BrC1=CN2C=CN=C2C=C1 NO15298 [0,0,0,1,0,0|3,0,0]=4 269 B11R2.36 BrC1=CN=C2NC=CC2=C1 NO13853 [0,0,0,1,0,0|3,0,0]=4 270 B11R2.36 BrC1=NC=C2NC=CC2=C1 DY115934 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.36 CC1=CC2=C(C=C1)OC=C2 DY441161 [0,0,0,1,0,0|2,0,0]=3 272 B11R2.36 CC1=CC2=C(C=C1)SC=C2 DY447819 [0,0,0,1,0,0|2,0,0]=3 273 B11R2.36 CC1=CC=C2C=CNC2=C1 DY455868 [0,0,0,1,0,0|2,0,1]=4 274 B11R2.36 CC1=CC=C2CNCC2=C1 DY431420 [0,0,0,1,0,0|2,0,1]=4 275 B11R2.36 CC1=CC=C2NC=CC2=C1 NO11033 [0,0,0,1,0,0|2,0,0]=3 276 B11R2.36 CC1=CN=C2NC=CC2=C1 NO10438 [0,0,0,1,0,0|3,0,0]=4 277 B11R2.36 CC1=NC=C2NC=CC2=C1 DY585624 [0,0,0,1,0,0|3,0,0]=4 278 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 DY443515 [0,0,0,1,0,0|3,0,0]=4 279 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 NO19972 [0,0,0,1,0,0|3,0,0]=4 280 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 NO20641 [0,0,0,1,0,0|2,0,0]=3 281 B11R2.36 ClC1=CC2=C(C=C1)SC=N2 NO10346 [0,0,0,1,0,0|3,0,0]=4 282 B11R2.36 ClC1=CC=C2C=CNC2=C1 NO22097 [0,0,0,1,0,0|2,0,1]=4 283 B11R2.36 ClC1=CC=C2CCNC2=C1 NO19407 [0,0,0,1,0,0|2,0,1]=4 284 B11R2.36 ClC1=CC=C2CNCC2=C1 NO15340 [0,0,0,1,0,0|2,0,1]=4 285 B11R2.36 ClC1=CC=C2NC=CC2=C1 NO22049 [0,0,0,1,0,0|2,0,0]=3 286 B11R2.36 ClC1=CC=C2NC=CC2=N1 NO10317 [0,0,0,1,0,0|3,0,0]=4 287 B11R2.36 ClC1=CC=C2NN=CC2=C1 NO10312 [0,0,0,1,0,0|3,0,0]=4 288 B11R2.36 ClC1=CN2C=CN=C2C=C1 NO10686 [0,0,0,1,0,0|3,0,0]=4 289 B11R2.36 ClC1=CN=C2NC=CC2=C1 NO18515 [0,0,0,1,0,0|3,0,0]=4 290 B11R2.36 ClC1=NC=C2NC=CC2=C1 NO13092 [0,0,0,1,0,0|3,0,0]=4 291 B11R2.36 FC1=CC2=C(C=C1)ON=C2 DY751753 [0,0,0,1,0,0|3,0,0]=4 292 B11R2.36 FC1=CC2=C(C=C1)SC=C2 DY447807 [0,0,0,1,0,0|2,0,0]=3 293 B11R2.36 FC1=CC=C2CCCC2=C1 NO16751 [0,0,0,1,0,0|1,0,2]=4 294 B11R2.36 FC1=CC=C2CCNC2=C1 DY443334 [0,0,0,1,0,0|2,0,1]=4 295 B11R2.36 FC1=CC=C2CNCC2=C1 DY459041 [0,0,0,1,0,0|2,0,1]=4 296 B11R2.36 FC1=CC=C2CNCC2=C1 NO15207 [0,0,0,1,0,0|2,0,1]=4 297 B11R2.36 FC1=CC=C2NC=CC2=N1 NO10378 [0,0,0,1,0,0|3,0,0]=4 298 B11R2.36 FC1=CC=C2NN=CC2=C1 NO18254 [0,0,0,1,0,0|3,0,0]=4 299 B11R2.36 FC1=CN2C=CN=C2C=C1 NO14014 [0,0,0,1,0,0|3,0,0]=4 300 B11R2.36 FC1=CN=C2NC=CC2=C1 NO18514 [0,0,0,1,0,0|3,0,0]=4 301 B11R2.36 IC1=CC2=C(C=C1)N=CS2 DY751921 [0,0,0,1,0,0|3,0,0]=4 302 B11R2.36 IC1=CC2=C(C=C1)SC=N2 DY752005 [0,0,0,1,0,0|3,0,0]=4 303 B11R2.36 IC1=CC=C2C=CNC2=C1 NO13433 [0,0,0,1,0,0|2,0,1]=4 304 B11R2.36 IC1=CC=C2NN=CC2=C1 NO10408 [0,0,0,1,0,0|3,0,0]=4 305 B11R2.36 IC1=CN2C=CN=C2C=C1 NO13667 [0,0,0,1,0,0|3,0,0]=4 306 B11R2.36 IC1=CN=C2NC=CC2=C1 DY458615 [0,0,0,1,0,0|3,0,0]=4 307 B11R2.36 NC1=CC2=C(C=C1)CCO2 DY561471 [0,0,0,1,0,0|2,0,1]=4 308 B11R2.36 NC1=CC2=C(C=C1)N=CO2 NO20506 [0,0,0,1,0,0|3,0,0]=4 309 B11R2.36 NC1=CC2=C(C=C1)N=CS2 NO14835 [0,0,0,1,0,0|3,0,0]=4 310 B11R2.36 NC1=CC2=C(C=C1)ON=C2 NO14807 [0,0,0,1,0,0|3,0,0]=4 311 B11R2.36 NC1=CC=C2CNCC2=C1 DY20849 [0,0,0,1,0,0|2,0,1]=4 312 B11R2.36 NC1=CC=C2CNCC2=C1 DY555549 [0,0,0,1,0,0|2,0,1]=4 313 B11R2.36 NC1=CC=C2NC=CC2=C1 NO20917 [0,0,0,1,0,0|2,0,0]=3 314 B11R2.36 NC1=CC=C2NC=CC2=N1 NO16752 [0,0,0,1,0,0|3,0,0]=4 315 B11R2.36 NC1=CC=C2NN=CC2=C1 DY444376 [0,0,0,1,0,0|3,0,0]=4 316 B11R2.36 NC1=CN2C=CN=C2C=C1 NO17744 [0,0,0,1,0,0|3,0,0]=4 317 B11R2.36 NC1=CN=C2NC=CC2=C1 NO17787 [0,0,0,1,0,0|3,0,0]=4 318 B11R2.36 OC1=CC2=C(C=C1)C=NO2 NO12459 [0,0,0,1,0,0|2,0,1]=4 319 B11R2.36 OC1=CC2=C(C=C1)CCO2 NO16031 [0,0,0,1,0,0|1,0,1]=3 320 B11R2.36 OC1=CC2=C(C=C1)N=CS2 NO10613 [0,0,0,1,0,0|2,0,0]=3 321 B11R2.36 OC1=CC2=C(C=CO2)C=C1 NO20605 [0,0,0,1,0,0|1,0,1]=3 322 B11R2.36 OC1=CC2=NON=C2C=C1 DY681780 [0,0,0,1,0,0|3,0,0]=4 323 B11R2.36 OC1=CC2=NSN=C2C=C1 DY681792 [0,0,0,1,0,0|3,0,0]=4 324 B11R2.36 OC1=CC=C2C=CNC2=N1 NO14689 [0,0,0,1,0,0|2,0,1]=4 325 B11R2.36 OC1=CC=C2C=NNC2=C1 NO20712 [0,0,0,1,0,0|2,0,1]=4 326 B11R2.36 OC1=CC=C2CCNC2=C1 DY630750 [0,0,0,1,0,0|1,0,1]=3 327 B11R2.36 OC1=CC=C2CNCC2=C1 DY446903 [0,0,0,1,0,0|1,0,1]=3 328 B11R2.36 OC1=CC=C2NC=CC2=C1 NO20861 [0,0,0,1,0,0|1,0,0]=2 329 B11R2.36 OC1=CC=C2NC=CC2=N1 NO12531 [0,0,0,1,0,0|2,0,0]=3 330 B11R2.36 OC1=CC=C2NN=CC2=C1 NO20711 [0,0,0,1,0,0|2,0,0]=3 331 B11R2.36 OC1=CN=C2C=CSC2=C1 NO12905 [0,0,0,1,0,0|2,0,1]=4 332 B11R2.36 OC1=CN=C2NC=CC2=C1 NO18571 [0,0,0,1,0,0|2,0,0]=3 333 B11R2.36 OC1=NN2C=CN=C2C=C1 NO12467 [0,0,0,1,0,0|3,0,0]=4 334 B9R1.7 C=CCC1=CC=C(Cl)S1 DY787408 [0,0,0,0,1,0|2,0,0]=3 335 B8R1.2 BrCC1=CC=NC=C1 NO22459 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 C#CC1=CC=CC=C1 NO19127 [2,0,0,0,0,0|0,0,2]=4 337 B8R1.2 C=CC1=CC=CN=C1 DY507011 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.2 CCC1=CC=CN=C1 NO22277 [2,0,0,0,0,0|1,0,1]=4 339 B8R1.2 CNC1=CC=CC=C1 NO11792 [2,0,0,0,0,0|1,0,1]=4 340 B8R1.2 ClCC1=CC=CN=C1 NO19291 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 ClCC1=NC=CC=C1 NO19289 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 ClSC1=CC=CC=C1 DY799077 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 ICC1=CC=CC=C1 NO11000 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.2 N#Cc1ccccc1 NO13696 [2,0,0,0,0,0|1,0,1]=4 345 B8R1.2 NCC1=CC=CN=C1 NO14226 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 NCC1=CC=NC=C1 NO11906 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.2 NCC1=CC=NC=C1 NO19023 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 NCC1=NC=CC=C1 DY663911 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 NNC1=CC=CC=C1 NO15210 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.2 O=CC1=CC=NC=C1 DY458075 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.2 O=CC1=CN=CC=C1 NO19090 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.2 O=CC1=NC=CC=C1 NO18610 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.2 OCC1=CC=CN=C1 NO22409 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.2 OCC1=CC=NC=C1 NO19163 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.2 OCC1=NC=CC=C1 NO19164 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.3 BrC1=CC=C(Br)C=C1 DY41477 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.3 BrC1=CC=C(I)C=C1 NO22911 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.3 CC1=CC=C(Br)C=C1 DY20922 [2,0,0,0,0,0|1,0,0]=3 359 B8R1.3 CC1=CC=C(N)C=C1 NO11898 [2,0,0,0,0,0|1,0,0]=3 360 B8R1.3 CC1=CC=C(N)C=N1 NO19519 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.3 CC1=CN=C(Br)C=C1 NO21837 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.3 CC1=CN=C(C)C=C1 NO21154 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.3 CC1=CN=C(Cl)C=C1 NO19287 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.3 CC1=CN=C(F)C=C1 NO21872 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.3 CC1=CN=C(N)C=C1 NO21820 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.3 CC1=CN=C(O)C=C1 NO16275 [2,0,0,0,0,0|1,0,0]=3 367 B8R1.3 CC1=CN=C(O)C=N1 NO12289 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.3 CC1=CNC(=O)C=C1 NO21591 [2,0,0,0,0,0|1,0,1]=4 369 B8R1.3 CC1=NC=C(Br)C=C1 NO22031 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.3 CC1=NC=C(Cl)C=C1 DY568875 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.3 CC1=NC=C(O)C=N1 NO10401 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.3 ClC1=CC=C(Br)C=C1 NO22677 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.3 ClC1=CC=C(I)C=C1 NO19235 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.3 FC1=CC=C(Cl)C=C1 NO20666 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.3 FC1=CC=C(I)C=C1 NO22840 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.3 FC1=CC=C(S)C=C1 DY20299 [2,0,0,0,0,0|1,1,0]=4 377 B8R1.3 IC1=CC=C(I)C=C1 NO19213 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.3 NC1=CC=C(Cl)C=C1 NO18588 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.3 NC1=CC=C(I)C=C1 DY452056 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.3 NC1=CC=C(N)C=C1 DY822026 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.3 NC1=CC=C(N)C=C1 NO18589 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.3 NC1=CC=C(O)C=N1 NO13087 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.3 NC1=CC=C(O)C=N1 NO18367 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.3 NC1=CN=C(O)C=C1 NO10211 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.3 NC1=CN=C(O)C=C1 NO18129 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.3 O=C1C=CC(O)=CN1 NO15928 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.3 OC1=CC=C(Br)N=C1 NO14988 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.3 OC1=CC=C(Cl)C=C1 NO22792 [2,0,0,0,0,0|1,0,0]=3 389 B8R1.3 OC1=CC=C(Cl)N=C1 NO21853 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.3 OC1=CC=C(F)N=C1 NO14991 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.3 OC1=CC=C(I)C=C1 DY20152 [2,0,0,0,0,0|1,0,0]=3 392 B8R1.3 OC1=CN=C(O)C=C1 NO21147 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.3 OC1=NC=C(Br)C=C1 NO22706 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.3 OC1=NC=C(I)C=C1 NO13623 [2,0,0,0,0,0|2,0,0]=4 395 B8R1.3 SC1=CC=C(Br)C=C1 DY20198 [2,0,0,0,0,0|1,1,0]=4 396 B8R1.3 SC1=CC=C(Cl)C=C1 DY822118 [2,0,0,0,0,0|1,1,0]=4 397 B8R1.3 SC1=CC=C(S)C=C1 DY563991 [2,0,0,0,0,0|1,1,0]=4 398 B10R1.3 C#CC1=CC=C(C=O)C=C1 NO21472 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.3 C#CC1=CC=C(CN)C=C1 DY537105 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.3 C#CC1=CC=C(OC)C=C1 NO21617 [1,1,0,0,0,0|0,0,2]=4 401 B10R1.3 C=CC1=CC=C(C#N)C=C1 DY549885 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.3 C=CC1=CN=C(OC)C=C1 DY544047 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.3 CCC1=CC=C(C#N)C=C1 DY585128 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.3 CCC1=CC=C(CC)C=C1 DY822052 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.3 CCC1=CC=C(CO)C=C1 DY450460 [1,1,0,0,0,0|0,0,1]=3 406 B10R1.3 CCC1=CC=C(NN)C=C1 NO16126 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.3 COC1=CC=C(C#N)C=C1 NO19381 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.3 COC1=CC=C(C=O)C=C1 NO18687 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.3 COC1=CC=C(CBr)C=C1 DY545847 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.3 COC1=CC=C(CF)C=C1 DY530067 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.3 COC1=CC=C(CN)C=C1 NO18898 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.3 COC1=CC=C(CN)C=N1 DY103395 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.3 COC1=CC=C(CO)C=C1 NO22932 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.3 COC1=CC=C(CO)C=N1 NO15243 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.3 COC1=CC=C(NN)C=C1 NO19581 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.3 COC1=CN=C(C=O)C=C1 NO10425 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.3 COC1=CN=C(CCl)C=C1 NO12684 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.3 COC1=NC=C(C=O)C=C1 NO20322 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.3 COC1=NC=C(CBr)C=C1 DY712957 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.3 COC1=NC=C(CBr)C=C1 NO17111 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.3 COC1=NC=C(CCl)C=C1 NO16575 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.3 N#CC1=CC=C(C=O)C=C1 NO13468 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.3 N#CC1=CC=C(CBr)C=C1 NO18792 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.3 N#CC1=CC=C(CCl)C=C1 NO17835 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.3 N#CC1=CC=C(CN)C=C1 NO19851 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.3 NCC1=CC=C(CO)C=C1 NO18290 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.3 O=CC1=CC=C(C=O)C=C1 NO11974 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.3 O=CC1=CC=C(CBr)C=C1 DY41097 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.3 O=CC1=CC=C(CCl)C=C1 DY569403 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.3 O=CC1=CC=C(CO)C=C1 NO15415 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.3 OCC1=CC=C(CBr)C=C1 NO20041 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.3 OCC1=CC=C(CO)C=C1 NO20456 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.13 C=C(C)C1=CC=C(C)C=C1 DY790917 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 NO19447 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.13 CC(=O)C1=CC=C(C)C=C1 NO13558 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.13 CC(=O)C1=CC=C(F)C=C1 NO14299 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.13 CC(=O)C1=CC=C(N)C=C1 DY20162 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.13 CC(=O)C1=CC=C(N)C=C1 DY795321 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.13 CC(=O)C1=CC=C(O)C=C1 NO22884 [1,1,0,0,0,0|0,0,1]=3 440 B10R1.13 CC(=O)C1=CC=C(O)N=C1 NO12692 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.13 CC(=O)c1ccc(I)cc1 DY433245 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.13 CC(Br)C1=CC=C(F)C=C1 NO16140 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.13 CC(C)C1=CC=C(Br)C=C1 NO19162 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.13 CC(C)C1=CC=C(F)C=C1 DY584364 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.13 CC(C)C1=CC=C(N)C=C1 NO22915 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.13 CC(C)C1=CC=C(O)C=C1 DY583593 [1,1,0,0,0,0|0,0,1]=3 447 B10R1.13 CC(N)C1=CC=C(F)C=C1 DY40832 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.13 CC(N)C1=CC=C(N)C=C1 NO22422 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.13 CC(O)C1=CC=C(Br)C=C1 DY448036 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 DY549597 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.13 CC1=CC=C(C(=N)N)C=C1 NO20439 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.13 CC1=CC=C(C(N)=O)C=C1 NO11895 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 DY545757 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.13 CN(C)C1=CC=C(O)C=C1 NO16528 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 NO20256 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 DY565797 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 DY554067 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 DY541875 [1,1,0,0,0,0|0,0,1]=3 459 B10R1.13 Cc1ccc(C(C)C)cc1 DY444976 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 DY21022 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 NO20283 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.13 N=C(N)C1=CC=C(F)C=C1 NO18318 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.13 N=C(N)C1=CC=C(N)C=C1 NO21974 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.13 NC(=O)C1=CC=C(F)C=C1 NO10426 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 DY544419 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.13 NC(=S)C1=CC=C(F)C=C1 DY584372 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.13 NC(=S)C1=CC=C(O)C=C1 NO20343 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.13 NC1=CC=C(C(F)F)C=C1 NO17592 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 DY433701 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 NO20082 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 NO15821 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.13 O=C(O)C1=CC=C(I)C=C1 NO20135 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.13 O=C(O)C1=CC=C(O)C=C1 NO22885 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.13 O=C(O)C1=CN=C(O)C=C1 NO19189 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.13 O=C(O)C1=NC=C(O)C=C1 NO22997 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 DY40351 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.13 OB(O)C1=CC=C(O)C=C1 NO19452 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.13 OC1=CC=C(C(F)F)C=C1 NO15692 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.25 C=CC1=C(O)C=C(O)C=C1 DY744937 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 NO22653 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 NO20823 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.25 CC1=C(C=O)C=CC(F)=C1 NO10809 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.25 CC1=C(C=O)C=CC(O)=C1 NO20933 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 DY584433 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.25 CC1=C(CO)C=CC(O)=C1 DY449770 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 NO20803 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.25 CC1=CC(C)=C(C=O)C=C1 NO21114 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.25 CC1=CC(C)=C(CBr)C=C1 NO21116 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.25 CC1=CC(C)=C(CO)C=C1 DY744535 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 NO21448 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.25 CC1=CC(F)=C(CO)C=C1 DY451432 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.25 CC1=CC(N)=C(CO)C=C1 NO21019 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.25 COC1=C(Br)C=C(O)C=C1 NO18795 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.25 COC1=C(F)C=C(O)C=C1 NO22287 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.25 CSC1=C(C)C=C(O)C=C1 DY20571 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 NO15047 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 NO21097 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.25 ClC1=CC(I)=C(CBr)C=C1 DY584761 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 NO19427 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.25 FC1=C(CCl)C=CC(Cl)=C1 DY585180 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 NO20064 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.25 FC1=CC(F)=C(CBr)C=C1 DY40543 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.25 FC1=CC(F)=C(CCl)C=C1 DY40591 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.25 N#CC1=C(Br)C=C(O)C=C1 DY744097 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.25 N#CC1=C(Cl)C=C(O)C=C1 DY20251 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.25 N#CC1=C(F)C=C(O)C=C1 NO20032 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.25 N#CC1=C(O)C=C(O)C=C1 DY10369 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 NO21241 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.25 NC1=C(C=O)C=CC(Cl)=C1 NO17491 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 DY40814 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 DY585043 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.25 NCC1=C(F)C=C(F)C=C1 NO10473 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 NO16310 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 NO10226 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 NO19853 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 NO16052 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 NO18762 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 DY33212 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 NO10260 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 NO10340 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 NO10231 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 DY20030 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.25 O=CC1=C(F)C=C(F)C=C1 NO18760 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.25 O=CC1=C(F)C=C(O)C=C1 NO10365 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.25 O=CC1=C(I)C=C(O)C=C1 NO16844 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.25 O=CC1=C(O)C=C(Br)C=C1 NO20081 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 NO20105 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.25 O=CC1=C(O)C=C(F)C=C1 NO20130 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.25 O=CC1=C(O)C=C(O)C=C1 NO19428 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 NO21073 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.25 OCC1=C(Br)C=C(F)C=C1 DY452398 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.25 OCC1=C(Br)C=C(I)C=C1 DY584784 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.25 OCC1=C(F)C=C(O)C=C1 NO13215 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.25 OCC1=C(O)C=C(Br)C=C1 NO10248 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.176 C=CC1=CC(F)=C(F)C=C1 NO19052 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 NO16721 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 NO22664 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.176 CC1=C(Br)C=CC(CN)=C1 DY525519 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.176 CC1=C(C)C=C(CO)C=C1 DY40706 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 DY433419 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.176 CC1=C(O)C=CC(C#N)=C1 NO17416 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.176 CC1=C(O)C=CC(C=O)=C1 NO20934 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.176 CC1=C(O)C=CC(CN)=C1 DY445599 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.176 CC1=NC(CO)=CC=C1O DY660681 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.176 CCC1=CC(C)=C(I)C=C1 DY575811 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 DY432619 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.176 CCC1=CC(O)=C(N)C=C1 NO16266 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.176 COC1=CC(C)=C(O)C=C1 NO15470 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.176 COC1=CC(Cl)=C(O)C=C1 NO20293 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.176 COC1=CC(N)=C(O)C=C1 NO21254 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 NO18826 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 DY20082 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.176 FC1=C(Cl)C=CC(CBr)=C1 NO19666 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 DY40585 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.176 FC1=C(F)C=C(CCl)C=C1 DY433089 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.176 FC1=C(I)C=CC(CBr)=C1 DY584601 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 NO10311 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 NO18887 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.176 N#CC1=CC(F)=C(O)C=C1 NO14303 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.176 N#CC1=CC(N)=C(O)C=C1 NO21247 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.176 N#CC1=CC(O)=C(O)C=C1 DY20147 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.176 NCC1=CC(Br)=C(F)C=C1 DY584425 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.176 O=C1C=C(CO)OC=C1O NO11536 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 NO12700 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 NO10229 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 DY20184 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 NO12259 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 NO19889 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 DY20026 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 NO10232 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 NO10264 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.176 O=CC1=CC(F)=C(F)C=C1 NO14168 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.176 O=CC1=CC(F)=C(I)C=C1 NO10296 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.176 O=CC1=CC(F)=C(O)C=C1 NO10367 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.176 O=CC1=CC(I)=C(F)C=C1 DY20286 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 NO15259 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.176 O=CC1=CC(O)=C(F)C=C1 DY41115 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.176 O=CC1=CC(O)=C(I)C=C1 DY584669 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.176 O=CC1=CC(O)=C(O)C=C1 NO18720 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.176 OCC1=CC(Br)=C(O)C=C1 NO21356 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 NO18809 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.176 OCC1=CC(F)=C(Br)C=C1 NO20190 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 DY40694 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.176 OCC1=CC(F)=C(F)C=C1 NO19362 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.176 OCC1=CC(F)=C(I)C=C1 DY585015 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.176 OCC1=CC(I)=C(Br)C=C1 DY584846 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.176 OCC1=CC(O)=C(Br)C=C1 NO16027 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.176 OCC1=CC(S)=C(O)C=N1 DY716738 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.4 C=CCC1=C(C)C=CN=C1 DY451588 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.4 C=CCC1=COC=CC1=O DY777394 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.4 CNCC1=C(Br)C=CC=C1 DY455892 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.4 N#CCC1=C(Br)C=CC=C1 NO10707 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.4 N#CCC1=C(Cl)C=CC=C1 NO21495 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.4 N#CCC1=C(F)C=CC=C1 NO20772 [1,1,0,0,0,0|1,0,1]=4 595 B10R1.4 N#CCC1=C(N)C=CC=C1 NO20914 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.4 NCCC1=C(Br)C=CC=C1 NO15138 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.4 NCCC1=C(F)C=CC=C1 NO14793 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.4 NCCC1=C(N)C=CC=C1 DY584423 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.4 NCCC1=C(N)C=CC=C1 NO15970 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.4 NNCC1=C(F)C=CC=C1 NO20134 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.4 OCCC1=C(Br)C=CC=C1 NO21407 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.4 OCCC1=C(I)C=CC=C1 DY545007 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.10 CC1=CC(CC#N)=CC=C1 NO18941 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.10 CC1=CC=CC(CNN)=C1 DY514611 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.10 CNCC1=CC(Cl)=CC=C1 DY456640 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.10 CNCC1=CC=CC(N)=C1 DY789483 [1,1,0,0,0,0|1,0,1]=4 608 B10R1.10 Clc1cccc(CCBr)c1 DY584685 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.10 N#CCC1=CC(Br)=CC=C1 NO18969 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.10 N#CCC1=CC(Cl)=CC=C1 NO13745 [1,1,0,0,0,0|1,0,1]=4 611 B10R1.10 N#CCC1=CC(F)=CC=C1 DY20212 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.10 N#CCC1=CC(I)=CC=C1 DY584378 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.10 NC1=CC=CC(CCO)=C1 NO22105 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.10 NCCC1=CC(Br)=CC=C1 NO15159 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.10 NCCc1cccc(O)c1 DY552393 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.10 NNCC1=CC(Cl)=CC=C1 DY544953 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.10 NNCC1=CC(O)=CC=C1 DY10382 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.10 OCCC1=CC(Br)=CC=C1 NO22186 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.10 OCCC1=CC(Cl)=CC=C1 NO22241 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.15 C#CC(O)C1=CC=CC=C1 DY460116 [1,1,0,0,0,0|0,0,2]=4 621 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 DY565311 [1,1,0,0,0,0|0,0,2]=4 622 B10R1.15 CC(CN)C1=CC=CC=C1 DY822021 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [1,1,0,0,0,0|0,0,2]=4 624 B10R1.15 CCC(O)C1=CC=CC=C1 DY580677 [1,1,0,0,0,0|0,0,2]=4 625 B10R1.15 CC[C@H](N)C1=CC=CC=C1 DY20337 [1,1,0,0,0,0|0,0,2]=4 626 B10R1.15 CN(C=O)C1=CC=CC=C1 NO11793 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 NO10909 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.15 NC(CO)C1=CC=CC=C1 NO15860 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.15 NC[C@H](O)C1=CC=CC=C1 NO20485 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 NO10553 [1,1,0,0,0,0|1,0,1]=4 631 B10R1.15 N[C@H](CO)C1=CC=CC=C1 NO10555 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.15 OC(CBr)C1=CC=CC=C1 NO18840 [1,1,0,0,0,0|1,0,1]=4 633 B10R1.15 OC[C@@H](O)c1ccccc1 DY459384 [1,1,0,0,0,0|1,0,1]=4 634 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 DY608146 [1,1,0,0,0,0|1,0,1]=4 635 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [1,1,0,0,0,0|1,0,1]=4 636 B10R1.17 C=CCNC1=NC=CC=N1 DY696005 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY41818 [1,1,0,0,0,0|0,0,2]=4 638 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY539883 [1,1,0,0,0,0|0,0,2]=4 639 B10R1.17 N#C[Se]CC1=CC=CC=C1 DY822032 [1,1,0,0,0,0|1,0,1]=4 640 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [1,1,0,0,0,0|1,0,1]=4 641 B10R1.17 NNCCc1ccccc1 DY527511 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.17 O=CC#CC1=CC=CC=C1 NO18196 [1,1,0,0,0,0|0,0,2]=4 644 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [1,1,0,0,0,0|1,0,1]=4 645 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [1,1,0,0,0,0|0,0,2]=4 647 B10R1.18 BrC(Br)=CC1=CC=CC=C1 NO16193 [1,1,0,0,0,0|1,0,1]=4 648 B10R1.18 CC(=O)CC1=CC=CN=C1 DY567891 [1,1,0,0,0,0|1,0,1]=4 649 B10R1.18 CC(=O)CC1=CC=NC=C1 NO20988 [1,1,0,0,0,0|1,0,1]=4 650 B10R1.18 CC(=O)CC1=NC=CC=C1 NO20802 [1,1,0,0,0,0|1,0,1]=4 651 B10R1.18 N=C(N)CC1=CC=CN=C1 DY610010 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.18 NC(=O)NC1=CC=CC=C1 NO10533 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.18 O=C(Cl)OC1=CC=CC=C1 NO18823 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.18 O=C(O)CC1=CC=CN=C1 NO20325 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.18 O=C(O)CC1=CC=NC=C1 NO20327 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.18 O=C([O-])CC1=NC=CC=C1 DY716949 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.18 O=S([O-])CC1=CC=CC=C1 DY745429 [1,1,0,0,0,0|2,0,0]=4 658 B12R1.1 C=CCNCC1=CC=C(F)C=C1 DY611035 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.1 OC1=CC=C(OCCCBr)C=C1 DY103168 [0,2,0,0,0,0|0,0,2]=4 660 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 DY822171 [0,2,0,0,0,0|0,0,2]=4 661 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DY459216 [0,2,0,0,0,0|0,0,2]=4 662 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 NO11969 [0,2,0,0,0,0|0,0,2]=4 663 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 NO14964 [0,2,0,0,0,0|0,0,1]=3 664 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 DY41308 [0,2,0,0,0,0|1,0,1]=4 665 B12R1.21 NC(=[NH2+])SCC1=CC=C(Cl)C=C1 DY745675 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 NO21832 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 DY584672 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 DY451168 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 NO21674 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 NO19854 [0,2,0,0,0,0|1,0,1]=4 671 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 NO21107 [0,2,0,0,0,0|0,0,1]=3 672 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 DY535089 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 NO21504 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 NO15820 [0,2,0,0,0,0|0,0,1]=3 675 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 NO22887 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 NO21113 [0,2,0,0,0,0|0,0,1]=3 677 B12R1.49 C\C(C=O)=C/C1=CC=C(Br)C=C1 DY788637 [0,2,0,0,0,0|1,0,1]=4 678 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 DY796635 [0,2,0,0,0,0|0,0,2]=4 679 B12R1.71 C=CCNC1=CC=C(C#N)C=N1 DY502065 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.71 CCNCC1=CC=C(OC)C=C1 DY578829 [0,2,0,0,0,0|0,0,2]=4 681 B12R1.71 COC1=CC=C(OCCN)C=C1 DY557367 [0,2,0,0,0,0|1,0,1]=4 682 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 DY544053 [0,2,0,0,0,0|0,0,1]=3 683 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 DY744337 [0,2,0,0,0,0|0,0,1]=3 684 B12R1.385 O=CCCC1=CC(Br)=C(F)C=C1 DY513777 [0,2,0,0,0,0|1,0,1]=4 685 B12R1.4 CC(=O)CC1=CC=C(CCl)C=C1 DY747541 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 NO13446 [0,2,0,0,0,0|1,0,0]=3 687 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 NO11110 [0,2,0,0,0,0|0,0,1]=3 688 B12R1.4 COC1=CN=C(CC(=O)O)C=C1 DY532983 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 NO18357 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 NO16100 [0,2,0,0,0,0|2,0,0]=4 691 B12R1.19 CC(=O)CC1=CC(Cl)=C(N)C=C1 DY749143 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.19 CC(=O)CC1=CC(F)=C(I)C=C1 DY747523 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.19 CC(=O)CC1=CC(S)=C(N)C=C1 DY749155 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.19 CC1=C(Br)C=C(CC(=O)O)C=C1 DY584986 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 DY21107 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 DY585091 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.19 CC1=C(F)C=CC(CC(=O)O)=C1 DY585037 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 DY584932 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 NO18834 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 NO20693 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 NO10724 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 NO12651 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 NO22756 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.19 O=C(O)CC1=CC(F)=C(I)C=C1 DY584921 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 NO20953 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.20 CC(=O)C(Br)C1=CC=C(S)C=C1 DY747217 [0,2,0,0,0,0|0,1,1]=4 707 B12R1.20 CC(C(=O)O)C1=CC=C(I)C=C1 DY550107 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 DY461262 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 DY585041 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 NO20887 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 NO19207 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 DY581289 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 NO10846 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 DY20331 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 NO15576 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 NO21023 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 DY460716 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 DY822085 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 NO20354 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.233 CC(=O)CC1=C(O)C=C(O)C=C1 DY747463 [0,2,0,0,0,0|0,0,1]=3 721 B12R1.233 CC(=O)CC1=C(S)C=C(S)C=C1 DY747481 [0,2,0,0,0,0|0,1,1]=4 722 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 NO12730 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.233 N=C(N)CC1=C(Cl)C=C(Cl)C=C1 DY744379 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.233 NC(=S)CC1=C(Cl)C=C(F)C=C1 DY794187 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 NO19112 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 NO15278 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 NO16319 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 NO10717 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 NO20709 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 NO19772 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 DY10349 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 DY567357 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 DY602014 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.5 COc1ccc([C@H](O)CN)cc1 DY555495 [0,2,0,0,0,0|1,0,1]=4 735 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 NO15993 [0,2,0,0,0,0|0,0,2]=4 736 B12R1.367 NCC(O)c1ccc(O)c(O)c1 DY557481 [0,2,0,0,0,0|1,0,1]=4 737 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 DY797643 [0,2,0,0,0,0|1,0,1]=4 738 B12R1.114 COC1=CC(Br)=C(CC#N)C=C1 DY584416 [0,2,0,0,0,0|1,0,1]=4 739 B12R1.114 COC1=CC(Cl)=C(CC#N)C=C1 DY20596 [0,2,0,0,0,0|1,0,1]=4 740 B12R1.113 CCCC1=CC=C(B(O)O)C=C1 NO10907 [0,2,0,0,0,0|0,0,2]=4 741 B12R1.113 CCCc1ccc(C(=O)O)cc1 DY543801 [0,2,0,0,0,0|0,0,2]=4 742 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 DY585027 [0,2,0,0,0,0|1,0,1]=4 743 B12R1.288 COC1=C(F)C=C(CC#N)C=C1 NO14302 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.288 COCC1=CC(Br)=C(OC)C=C1 DY451636 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.44 CCCC1=CC(F)=C(O)C(F)=C1 DY822093 [0,2,0,0,0,0|0,0,2]=4 746 B12R1.286 C\C=C\c1ccc(O)c(OC)c1 DY580665 [0,2,0,0,0,0|0,0,2]=4 747 B10R2.31 BrC1=CC=C2CCC2=C1 DY505107 [1,0,0,1,0,0|1,0,1]=4 748 B10R2.31 NC1=CC=C2CCC2=C1 DY686977 [1,0,0,1,0,0|1,0,1]=4 749 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DY20326 [1,0,0,1,0,0|1,0,1]=4 750 B10R2.7 C1=CC2=C(C=C1)CSC2 DY114506 [1,0,0,1,0,0|1,0,1]=4 751 B10R2.7 C1=CC2=C(C=C1)OC=N2 NO10994 [1,0,0,1,0,0|2,0,0]=4 752 B10R2.7 C1=CC2=C(C=C1)OCC2 NO20929 [1,0,0,1,0,0|1,0,1]=4 753 B10R2.7 C1=CC2=C(C=C1)SC=C2 NO16362 [1,0,0,1,0,0|1,0,0]=3 754 B10R2.7 C1=CC2=C(C=C1)SC=N2 NO10992 [1,0,0,1,0,0|2,0,0]=4 755 B10R2.7 C1=CC2=C(C=CN2)C=N1 NO20237 [1,0,0,1,0,0|2,0,0]=4 756 B10R2.7 C1=CC2=C(C=CO2)C=N1 DY545679 [1,0,0,1,0,0|2,0,0]=4 757 B10R2.7 C1=CC2=C(C=CS2)C=N1 DY441330 [1,0,0,1,0,0|2,0,0]=4 758 B10R2.7 C1=CC2=CC=NC=C2N1 NO20238 [1,0,0,1,0,0|2,0,0]=4 759 B10R2.7 C1=CC2=CC=NC=C2S1 NO13198 [1,0,0,1,0,0|2,0,0]=4 760 B10R2.7 C1=CC2=CC=NN2C=C1 DY106678 [1,0,0,1,0,0|2,0,0]=4 761 B10R2.7 C1=CC2=CNN=C2C=C1 DY761306 [1,0,0,1,0,0|2,0,0]=4 762 B10R2.7 C1=CC2=NC=CN2C=C1 NO18927 [1,0,0,1,0,0|2,0,0]=4 763 B10R2.7 C1=CC=C2CC=CC2=C1 DY20914 [1,0,0,1,0,0|0,0,0]=2 764 B10R2.7 C1=CC=C2CNCC2=C1 NO11516 [1,0,0,1,0,0|1,0,1]=4 765 B10R2.7 C1=CC=C2NC=CC2=C1 NO11496 [1,0,0,1,0,0|1,0,0]=3 766 B10R2.7 C1=CC=C2NCCC2=C1 NO19084 [1,0,0,1,0,0|1,0,1]=4 767 B10R2.7 C1=CC=C2NN=CC2=C1 NO11488 [1,0,0,1,0,0|2,0,0]=4 768 B10R2.7 C1=CC=C2OC=CC2=C1 NO11169 [1,0,0,1,0,0|1,0,0]=3 769 B10R2.7 C1=CN=C2C=CNC2=C1 NO20236 [1,0,0,1,0,0|2,0,0]=4 770 B10R2.7 C1=CN=C2NC=CC2=C1 NO10447 [1,0,0,1,0,0|2,0,0]=4 771 B10R2.7 C1=CN=C2SC=CC2=C1 NO14590 [1,0,0,1,0,0|2,0,0]=4 772 B10R2.7 [C-]1=CSC2=CC=CC=C12 DY752635 [1,0,0,1,0,0|1,0,1]=4 773 B10R2.320 BrC1CC2=CC=CC=C21 DY539943 [1,0,0,1,0,0|1,0,1]=4 774 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 NO19153 [0,1,0,1,0,0|1,0,1]=4 775 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 NO19085 [0,1,0,1,0,0|1,0,1]=4 776 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 NO19165 [0,1,0,1,0,0|1,0,1]=4 777 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 NO21398 [0,1,0,1,0,0|1,0,1]=4 778 B12R2.24 BrC1=CC=C2CCC=CC2=C1 DY763124 [0,1,0,1,0,0|1,0,0]=3 779 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 DY690135 [0,1,0,1,0,0|1,0,1]=4 780 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 NO10941 [0,1,0,1,0,0|1,0,1]=4 781 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 NO14624 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.24 BrC1=CC=C2N=CN=CC2=C1 NO18543 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.24 BrC1=CC=C2N=NC=CC2=C1 NO14598 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.24 CC1=CC=C2C=CC=NC2=C1 DY20324 [0,1,0,1,0,0|1,0,1]=4 785 B12R2.24 CC1=CC=C2C=NC=CC2=C1 NO10742 [0,1,0,1,0,0|1,0,1]=4 786 B12R2.24 CC1=CC=C2N=CC=CC2=C1 NO10066 [0,1,0,1,0,0|1,0,1]=4 787 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 NO10811 [0,1,0,1,0,0|1,0,1]=4 788 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 NO11526 [0,1,0,1,0,0|1,0,1]=4 789 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 NO21425 [0,1,0,1,0,0|1,0,1]=4 790 B12R2.24 ClC1=CC=C2N=CC=NC2=C1 DY559641 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.24 FC1=CC=C2C=NC=CC2=C1 NO14751 [0,1,0,1,0,0|1,0,1]=4 792 B12R2.24 FC1=CC=C2N=CC=CC2=C1 NO12098 [0,1,0,1,0,0|1,0,1]=4 793 B12R2.24 FC1=CC=C2N=CN=CC2=C1 NO17781 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.24 IC1=CC=C2C=CC=NC2=C1 DY690830 [0,1,0,1,0,0|1,0,1]=4 795 B12R2.24 IC1=CC=C2N=CC=CC2=C1 DY30340 [0,1,0,1,0,0|1,0,1]=4 796 B12R2.24 IC1=CC=C2N=NC=CC2=C1 DY755749 [0,1,0,1,0,0|2,0,0]=4 797 B12R2.24 NC1=CC=C2C=CN=CC2=C1 NO18893 [0,1,0,1,0,0|1,0,1]=4 798 B12R2.24 NC1=CC=C2C=NC=CC2=C1 NO18181 [0,1,0,1,0,0|1,0,1]=4 799 B12R2.24 NC1=CC=C2N=CC=CC2=C1 DY692079 [0,1,0,1,0,0|1,0,1]=4 800 B12R2.24 NC1=CC=C2N=CC=CC2=C1 NO11016 [0,1,0,1,0,0|1,0,1]=4 801 B12R2.24 NC1=CC=C2N=CC=NC2=C1 NO10612 [0,1,0,1,0,0|2,0,0]=4 802 B12R2.24 OC1=CC2=C(C=C1)CCCC2 NO13514 [0,1,0,1,0,0|0,0,2]=4 803 B12R2.24 OC1=CC2=C(C=C1)NCCO2 DY442455 [0,1,0,1,0,0|1,0,1]=4 804 B12R2.24 OC1=CC2=CC=CC=C2C=C1 NO21708 [0,1,0,1,0,0|0,0,1]=3 805 B12R2.24 OC1=CC2=CC=CC=C2N=C1 NO19154 [0,1,0,1,0,0|1,0,1]=4 806 B12R2.24 OC1=CC=C2C=CC=NC2=C1 NO10982 [0,1,0,1,0,0|0,0,1]=3 807 B12R2.24 OC1=CC=C2CCCNC2=C1 NO10898 [0,1,0,1,0,0|0,0,2]=4 808 B12R2.24 OC1=CC=C2CCNCC2=C1 NO17696 [0,1,0,1,0,0|0,0,2]=4 809 B12R2.24 OC1=CC=C2CNCCC2=C1 NO18391 [0,1,0,1,0,0|0,0,2]=4 810 B12R2.24 OC1=CC=C2N=CC=CC2=C1 DY561585 [0,1,0,1,0,0|0,0,1]=3 811 B12R2.24 OC1=CC=C2OC=CCC2=C1 DY755551 [0,1,0,1,0,0|1,0,0]=3 812 B12R2.24 OC1=NC2=CC=CN=C2C=C1 DY442462 [0,1,0,1,0,0|1,0,1]=4 813 B12R2.132 CC1=CC=C2NC=C(I)C2=C1 DY727435 [0,1,0,1,0,0|2,0,0]=4 814 B12R2.132 CC1=CNC2=CC=C(N)C=C12 DY728221 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.132 CC1=CNC2=CC=C(O)C=C12 NO14814 [0,1,0,1,0,0|1,0,0]=3 816 B12R2.132 CC1=COC2=C1C=C(O)C=C2 DY459204 [0,1,0,1,0,0|1,0,0]=3 817 B12R2.132 CC1=NOC2=C1C=C(O)C=C2 DY751759 [0,1,0,1,0,0|1,0,1]=4 818 B12R2.132 ClC1=CC=C2NC=C(Br)C2=C1 DY20448 [0,1,0,1,0,0|2,0,0]=4 819 B12R2.132 NC1=CC2=C(C=C1)SC=C2Br DY583473 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.132 NC1=CC=C2COC(=O)C2=C1 DY456694 [0,1,0,1,0,0|2,0,0]=4 821 B12R2.132 NC1=CNC2=CC=C(Br)C=C12 DY20498 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.132 N[C@@H]1CCC2=CC=C(O)C=C21 DY104168 [0,1,0,1,0,0|0,0,2]=4 823 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 NO13722 [0,1,0,1,0,0|1,0,1]=4 824 B12R2.132 O=C1CCC2=CC=C(I)C=C12 NO19840 [0,1,0,1,0,0|1,0,1]=4 825 B12R2.132 O=C1CCC2=CC=C(O)C=C12 NO15371 [0,1,0,1,0,0|0,0,1]=3 826 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 NO18239 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 NO14261 [0,1,0,1,0,0|2,0,0]=4 828 B12R2.132 O=C1NCC2=CC=C(O)C=C12 DY565923 [0,1,0,1,0,0|1,0,0]=3 829 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 NO12535 [0,1,0,1,0,0|2,0,0]=4 830 B12R2.132 O=C1OCC2=CC=C(Cl)C=C12 DY456700 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.132 OC1=CC=C2NN=C(Cl)C2=C1 DY761810 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.606 CC1=CC2=C(C=C1)SC(Br)=C2 DY790383 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 DY441288 [0,1,0,1,0,0|2,0,0]=4 834 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 DY603069 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 NO11005 [0,1,0,1,0,0|2,0,0]=4 836 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 NO21722 [0,1,0,1,0,0|1,0,0]=3 837 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 NO10744 [0,1,0,1,0,0|2,0,0]=4 838 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 NO10011 [0,1,0,1,0,0|2,0,0]=4 839 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 NO16740 [0,1,0,1,0,0|1,0,1]=4 840 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 NO21571 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 DY545193 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.606 O=C1CC2=C(C=CC(O)=C2)O1 DY545547 [0,1,0,1,0,0|1,0,1]=4 843 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 NO20688 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 NO22102 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 NO22112 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.606 O=c1oc2cc(O)ccc2s1 DY556851 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.606 OC1=CC2=C(C=C1)N=C(Br)S2 NO12817 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.612 CC1=CNC2=CC(O)=CC=C12 DY507137 [0,1,0,1,0,0|1,0,1]=4 849 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 NO10246 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.612 CN1N=CC2=CC(O)=CC=C21 NO13076 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.612 NN1C=CC2=CC(Cl)=CC=C21 DY728353 [0,1,0,1,0,0|2,0,0]=4 852 B12R2.246 CC1=CC(N)=C2NC=CC2=C1 DY726919 [0,1,0,1,0,0|2,0,0]=4 853 B12R2.246 ClC1=C2NC=CC2=CC(Br)=C1 DY533283 [0,1,0,1,0,0|2,0,0]=4 854 B12R2.246 ClC1=CC(Br)=C2NC=CC2=C1 NO12110 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.246 ClC1=CC(Cl)=C2NC=CC2=C1 DY107692 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.246 ClC1=CC2=C(OC=C2)C(Cl)=C1 NO16926 [0,1,0,1,0,0|2,0,0]=4 857 B12R2.246 FC1=CC(Br)=CC2=C1OC=C2 DY441155 [0,1,0,1,0,0|2,0,0]=4 858 B12R2.246 FC1=CC(Cl)=C2NC=CC2=C1 DY544941 [0,1,0,1,0,0|2,0,0]=4 859 B12R2.246 FC1=CC(F)=C2NC=CC2=C1 DY20236 [0,1,0,1,0,0|2,0,0]=4 860 B12R2.246 NC1=C2NC=CC2=CC(Br)=C1 DY731311 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.246 NC1=C2NC=CC2=CC(Cl)=C1 DY546789 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.246 NC1=C2NC=CC2=CC(F)=C1 DY519225 [0,1,0,1,0,0|2,0,0]=4 863 B12R2.246 NC1=CC(Br)=C2NC=CC2=C1 DY536913 [0,1,0,1,0,0|2,0,0]=4 864 B12R2.9 OCC1=CC=C(C2CC2)C=C1 DY758305 [0,1,0,1,0,0|0,0,2]=4 865 B12R2.44 COC1=CC2=C(C=C1)N=CS2 NO10718 [0,1,0,1,0,0|2,0,0]=4 866 B12R2.44 COC1=CC2=C(C=C1)ON=C2 NO10418 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.44 COC1=CC2=C(C=CO2)C=C1 NO16497 [0,1,0,1,0,0|1,0,1]=4 868 B12R2.44 COC1=CC2=C(C=CS2)C=C1 NO16120 [0,1,0,1,0,0|1,0,1]=4 869 B12R2.44 COC1=CC2=CON=C2C=C1 DY751801 [0,1,0,1,0,0|2,0,0]=4 870 B12R2.44 COC1=CC=C2C=CNC2=C1 DY20057 [0,1,0,1,0,0|1,0,1]=4 871 B12R2.44 COC1=CC=C2CCNC2=C1 DY20447 [0,1,0,1,0,0|1,0,1]=4 872 B12R2.44 COC1=CC=C2CNCC2=C1 NO12707 [0,1,0,1,0,0|1,0,1]=4 873 B12R2.44 COC1=CC=C2NC=CC2=N1 NO18048 [0,1,0,1,0,0|2,0,0]=4 874 B12R2.44 COC1=CN2C=CN=C2C=C1 NO16254 [0,1,0,1,0,0|2,0,0]=4 875 B12R2.44 N#CC1=CC2=C(C=C1)OC=C2 NO20604 [0,1,0,1,0,0|2,0,0]=4 876 B12R2.44 N#CC1=CC=C2NC=CC2=C1 DY41769 [0,1,0,1,0,0|2,0,0]=4 877 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 NO21474 [0,1,0,1,0,0|1,0,1]=4 878 B12R2.44 O=CC1=CC=C2NC=CC2=C1 NO21526 [0,1,0,1,0,0|1,0,1]=4 879 B12R2.44 OCC1=CC2=C(C=CS2)C=C1 DY752539 [0,1,0,1,0,0|1,0,1]=4 880 B12R2.44 OCC1=CN2C=CN=C2C=C1 NO11474 [0,1,0,1,0,0|2,0,0]=4 881 B12R2.82 CC1=C2C=CNC2=CC=C1N DY731323 [0,1,0,1,0,0|2,0,0]=4 882 B12R2.82 CC1=C2C=NNC2=CC=C1O DY508928 [0,1,0,1,0,0|2,0,0]=4 883 B12R2.82 CC1=CC=C2NC=CC2=C1Br NO16082 [0,1,0,1,0,0|2,0,0]=4 884 B12R2.82 ClC1=C2C=CNC2=CC=C1Br DY541113 [0,1,0,1,0,0|2,0,0]=4 885 B12R2.82 FC1=C(Br)C2=C(C=C1)OC=C2 DY461376 [0,1,0,1,0,0|2,0,0]=4 886 B12R2.82 FC1=C(Br)C=CC2=C1C=CS2 DY441276 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.82 FC1=C2C=CNC2=CC=C1Br NO16496 [0,1,0,1,0,0|2,0,0]=4 888 B12R2.82 FC1=C2C=CNC2=CC=C1I DY513675 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.82 FC1=CC=C2NC=CC2=C1F DY20235 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.82 OC1=CC=C2NC=CC2=C1Cl DY728521 [0,1,0,1,0,0|1,0,0]=3 891 B12R2.82 OC1=CC=C2NN=CC2=C1Br DY556107 [0,1,0,1,0,0|2,0,0]=4 892 B12R2.82 OC1=CN=C2NC=CC2=C1F DY105002 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.100 CC1=C(Br)C=C2NC=CC2=C1 NO10653 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.100 CC1=C(Cl)C=C2C=CNC2=C1 NO10342 [0,1,0,1,0,0|2,0,0]=4 895 B12R2.100 CC1=C(F)C=C2NC=CC2=C1 DY528891 [0,1,0,1,0,0|2,0,0]=4 896 B12R2.100 CC1=C(O)C=C2C=NNC2=C1 DY427384 [0,1,0,1,0,0|2,0,0]=4 897 B12R2.100 ClC1=C(Br)C=C2C=CNC2=C1 NO16116 [0,1,0,1,0,0|2,0,0]=4 898 B12R2.100 ClC1=C(Br)C=C2NC=CC2=C1 NO16087 [0,1,0,1,0,0|2,0,0]=4 899 B12R2.100 ClC1=C(Cl)C=C2NC=CC2=C1 NO12279 [0,1,0,1,0,0|2,0,0]=4 900 B12R2.100 FC1=C(Br)C=C2NC=CC2=C1 NO15059 [0,1,0,1,0,0|2,0,0]=4 901 B12R2.100 FC1=C(Cl)C=C2C=CNC2=C1 NO10341 [0,1,0,1,0,0|2,0,0]=4 902 B12R2.100 FC1=C(F)C=C2NC=CC2=C1 NO22020 [0,1,0,1,0,0|2,0,0]=4 903 B12R2.100 NC1=C(Cl)C=C2C=CNC2=C1 DY576453 [0,1,0,1,0,0|2,0,0]=4 904 B8R1.8 O=CCC1=CC=CS1 NO17423 [1,0,0,0,1,0|2,0,0]=4