0 B10R1.1 BrCCC1=CC=C(Br)C=C1 DY531753 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.1 CC#CC1=CC=C(Br)C=C1 DY788811 [0,0,0,0,0,0|1,1,2]=4 2 B10R1.1 CC1=CC=C(CC#N)C=C1 NO21709 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.1 CC1=CC=C(CNN)C=C1 NO20201 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.1 CC1=CN=C(CCCl)C=N1 DY585863 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.1 CC1=CN=C(CCN)C=C1 DY654264 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.1 CCCC1=CC=C(Br)C=C1 NO10896 [0,0,0,0,0,0|1,1,0]=2 9 B10R1.1 CCNC1=CC=C(C)C=C1 DY822062 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.1 CCNC1=CC=C(Cl)C=C1 DY745663 [0,0,0,0,0,0|2,1,0]=3 11 B10R1.1 CCNC1=NC=C(Br)C=C1 DY659768 [0,0,0,0,0,0|3,1,0]=4 12 B10R1.1 CCOC1=CC=C(I)C=C1 NO22907 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.1 CCOC1=CC=C(N)C=C1 NO11879 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.1 CCOC1=CC=C(O)C=C1 DY563859 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.1 CCOC1=CN=C(N)C=C1 NO15063 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.1 CCOC1=NC=C(Br)C=C1 NO22026 [0,0,0,0,0,0|3,1,0]=4 17 B10R1.1 CCOC1=NC=C(N)C=C1 NO14713 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.1 CNCC1=CC=C(Br)C=C1 NO19272 [0,0,0,0,0,0|2,1,0]=3 19 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.1 CNCC1=CC=C(Cl)C=C1 DY455886 [0,0,0,0,0,0|2,1,0]=3 21 B10R1.1 CNCC1=CC=C(Cl)N=C1 DY511497 [0,0,0,0,0,0|3,1,0]=4 22 B10R1.1 CNCC1=CC=C(F)C=C1 DY585104 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.1 COCC1=CC=C(O)C=N1 DY712897 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.1 CSCC1=CN=C(Cl)C=C1 DY606927 [0,0,0,0,0,0|3,1,0]=4 25 B10R1.1 CSCC1=NC=C(Br)C=C1 DY112104 [0,0,0,0,0,0|3,1,0]=4 26 B10R1.1 ClC1=CC=C(CCBr)C=C1 NO10835 [0,0,0,0,0,0|1,1,0]=2 27 B10R1.1 ClCCC1=CN=C(Cl)C=C1 DY714175 [0,0,0,0,0,0|2,1,0]=3 28 B10R1.1 FC1=CC=C(CCBr)C=C1 NO10866 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.1 FC1=CC=C(CCCl)C=C1 DY584346 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.1 N#CCC1=CC=C(Br)C=C1 NO20687 [0,0,0,0,0,0|0,1,2]=3 31 B10R1.1 N#CCC1=CC=C(Cl)C=C1 DY20790 [0,0,0,0,0,0|0,1,2]=3 32 B10R1.1 N#CCC1=CC=C(Cl)N=C1 NO19041 [0,0,0,0,0,0|1,1,2]=4 33 B10R1.1 N#CCC1=CC=C(F)C=C1 NO14479 [0,0,0,0,0,0|0,0,2]=2 34 B10R1.1 N#CCC1=CC=C(O)C=C1 DY522681 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.1 N#CCC1=NC=C(Br)C=C1 NO19461 [0,0,0,0,0,0|1,1,2]=4 36 B10R1.1 N#CCC1=NC=C(Cl)C=C1 NO15674 [0,0,0,0,0,0|1,1,2]=4 37 B10R1.1 NC1=CC=C(CCO)C=C1 NO13450 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.1 NCCC1=CC=C(Br)C=C1 NO19296 [0,0,0,0,0,0|0,1,0]=1 39 B10R1.1 NCCC1=CC=C(F)C=C1 NO13766 [0,0,0,0,0,0|0,0,0]=0 40 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY570291 [0,0,0,0,0,0|1,1,0]=2 41 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY583979 [0,0,0,0,0,0|1,1,0]=2 42 B10R1.1 NNCC1=CC=C(F)C=C1 DY567861 [0,0,0,0,0,0|1,0,0]=1 43 B10R1.1 NNCC1=CC=C(F)C=C1 NO17057 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.1 O=C=NC1=CC=C(F)C=C1 DY33036 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.1 O=CCC1=CC=C(Br)C=C1 NO18203 [0,0,0,0,0,0|1,1,1]=3 46 B10R1.1 OCCC1=CC=C(Br)C=C1 NO14491 [0,0,0,0,0,0|1,1,0]=2 47 B10R1.1 OCCC1=CC=C(Cl)C=C1 NO22791 [0,0,0,0,0,0|1,1,0]=2 48 B10R1.1 OCCC1=CC=C(Cl)N=C1 DY509192 [0,0,0,0,0,0|2,1,0]=3 49 B10R1.1 OCCC1=CC=C(O)C=C1 NO20458 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.1 BrCC1=CC=C(Br)C=C1 NO19166 [1,0,0,0,0,0|1,1,0]=3 51 B9R1.1 BrCC1=CC=C(I)C=C1 NO20172 [1,0,0,0,0,0|1,1,0]=3 52 B9R1.1 BrCC1=CN=C(Br)C=C1 DY655150 [1,0,0,0,0,0|2,1,0]=4 53 B9R1.1 C#CC1=NC=C(F)C=C1 NO19540 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.1 CC1=CC=C(C#N)C=C1 NO19807 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.1 CC1=CC=C(CBr)C=C1 NO22969 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.1 CC1=CC=C(CCl)C=C1 DY40603 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.1 CC1=CC=C(CN)C=C1 NO22970 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.1 CC1=CC=C(CN)N=N1 DY100078 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 CC1=CC=C(CO)C=C1 NO19704 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.1 CC1=CC=C(CO)C=N1 DY21041 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.1 CC1=CC=C(NN)C=C1 NO19576 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.1 CC1=CN=C(CN)C=C1 DY711847 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 CC1=CN=C(CN)C=C1 NO18319 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.1 CC1=NC=C(CCl)C=C1 DY585961 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 CCC1=CC=C(Br)C=C1 NO10865 [1,0,0,0,0,0|0,1,0]=2 66 B9R1.1 CCC1=CC=C(Cl)C=C1 DY584444 [1,0,0,0,0,0|0,1,0]=2 67 B9R1.1 CCC1=CC=C(F)C=C1 DY20965 [1,0,0,0,0,0|0,0,0]=1 68 B9R1.1 CCC1=CC=C(I)C=C1 DY20189 [1,0,0,0,0,0|0,1,0]=2 69 B9R1.1 CCC1=CC=C(N)C=N1 DY515529 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.1 CCC1=CC=C(O)C=C1 DY20188 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.1 CCC1=CN=C(Br)C=C1 NO13124 [1,0,0,0,0,0|1,1,0]=3 72 B9R1.1 CCC1=CN=C(C)C=C1 DY20566 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 CCC1=CN=C(N)C=C1 DY585943 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.1 CCC1=CN=C(N)N=C1 NO14255 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 CCC1=NC=C(Br)C=C1 NO12376 [1,0,0,0,0,0|1,1,0]=3 77 B9R1.1 CCC1=NC=C(Br)C=N1 NO13125 [1,0,0,0,0,0|2,1,0]=4 78 B9R1.1 CCC1=NC=C(C)N=C1 DY710647 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.1 CCC1=NC=C(I)C=N1 DY693478 [1,0,0,0,0,0|2,1,0]=4 80 B9R1.1 CNC1=CC=C(I)C=C1 NO22906 [1,0,0,0,0,0|1,1,0]=3 81 B9R1.1 CNC1=NC=C(Br)C=C1 NO10304 [1,0,0,0,0,0|2,1,0]=4 82 B9R1.1 CNC1=NC=C(F)C=C1 DY711535 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.1 COC1=CC=C(N)C=C1 DY584663 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.1 COC1=CC=C(N)C=C1 NO18580 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.1 COC1=CC=C(N)C=N1 NO19527 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 COC1=CC=C(O)C=C1 NO22939 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.1 COC1=CC=[N+]([O-])C=C1 NO18613 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 COC1=CN=C(Br)C=C1 NO13470 [1,0,0,0,0,0|2,1,0]=4 89 B9R1.1 COC1=CN=C(N)C=C1 NO17791 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 COC1=CNC(=O)C=C1 DY563727 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 COC1=NC=C(Br)C=C1 DY716534 [1,0,0,0,0,0|2,1,0]=4 92 B9R1.1 COC1=NC=C(Br)C=C1 NO22030 [1,0,0,0,0,0|2,1,0]=4 93 B9R1.1 COC1=NC=C(C)C=C1 NO21644 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 COC1=NC=C(Cl)C=C1 NO17976 [1,0,0,0,0,0|2,1,0]=4 95 B9R1.1 COC1=NC=C(F)C=N1 DY694914 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 COC1=NC=C(I)C=C1 NO21641 [1,0,0,0,0,0|2,1,0]=4 97 B9R1.1 CSC1=CC=C(I)C=C1 DY585121 [1,0,0,0,0,0|1,1,0]=3 98 B9R1.1 CSC1=CC=C(N)C=N1 DY547125 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 CSC1=CC=C(O)C=C1 DY20743 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 CSC1=NC=C(Cl)C=C1 DY454120 [1,0,0,0,0,0|2,1,0]=4 101 B9R1.1 ClC1=CN=C(CBr)C=C1 NO16112 [1,0,0,0,0,0|2,1,0]=4 102 B9R1.1 ClC1=CN=C(CBr)C=C1 NO17526 [1,0,0,0,0,0|2,1,0]=4 103 B9R1.1 ClCC1=CC=C(Br)C=C1 NO19167 [1,0,0,0,0,0|1,1,0]=3 104 B9R1.1 ClCC1=CC=C(Cl)C=C1 NO19806 [1,0,0,0,0,0|1,1,0]=3 105 B9R1.1 ClCC1=NC=C(Cl)C=C1 DY446951 [1,0,0,0,0,0|2,1,0]=4 106 B9R1.1 FC1=CC=C(CBr)C=C1 NO19071 [1,0,0,0,0,0|1,0,0]=2 107 B9R1.1 FC1=NC=C(CBr)C=C1 NO13268 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 FCC1=CC=C(Br)C=C1 DY555441 [1,0,0,0,0,0|1,1,0]=3 109 B9R1.1 N#CC1=CC=C(Br)C=C1 NO19210 [1,0,0,0,0,0|0,1,2]=4 110 B9R1.1 N#CC1=CC=C(Cl)C=C1 NO19211 [1,0,0,0,0,0|0,1,2]=4 111 B9R1.1 N#CC1=CC=C(F)C=C1 NO18637 [1,0,0,0,0,0|0,0,2]=3 112 B9R1.1 N#CC1=CC=C(I)C=C1 NO22010 [1,0,0,0,0,0|0,1,2]=4 113 B9R1.1 N#CC1=CC=C(N)C=C1 NO13395 [1,0,0,0,0,0|1,0,2]=4 114 B9R1.1 N#CC1=CC=C(O)C=C1 NO15887 [1,0,0,0,0,0|1,0,2]=4 115 B9R1.1 N#CC1=CC=C(S)C=C1 DY551463 [1,0,0,0,0,0|1,0,2]=4 116 B9R1.1 N#CC1=CN=C(F)C=C1 NO19603 [1,0,0,0,0,0|1,0,2]=4 117 B9R1.1 N#CC1=NC=C(F)C=C1 NO12291 [1,0,0,0,0,0|1,0,2]=4 118 B9R1.1 NC1=CC=C(C=O)C=C1 DY20423 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.1 NCC1=CC=C(Br)C=C1 NO19587 [1,0,0,0,0,0|0,1,0]=2 120 B9R1.1 NCC1=CC=C(Br)N=C1 NO11090 [1,0,0,0,0,0|1,1,0]=3 121 B9R1.1 NCC1=CC=C(Cl)N=C1 NO16390 [1,0,0,0,0,0|1,1,0]=3 122 B9R1.1 NCC1=CC=C(F)C=C1 NO18721 [1,0,0,0,0,0|0,0,0]=1 123 B9R1.1 NCC1=CC=C(N)C=N1 NO10590 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 NCC1=CC=C(O)C=C1 NO22886 [1,0,0,0,0,0|1,0,0]=2 125 B9R1.1 NCC1=CN=C(Cl)N=C1 DY516393 [1,0,0,0,0,0|2,1,0]=4 126 B9R1.1 NCC1=CN=C(N)N=C1 DY566541 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 NCC1=CNC(=O)C=C1 DY585975 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.1 NCC1=NC=C(Cl)N=C1 DY504699 [1,0,0,0,0,0|2,1,0]=4 129 B9R1.1 NCC1=NC=C(Cl)N=C1 DY532911 [1,0,0,0,0,0|2,1,0]=4 130 B9R1.1 NCC1=NC=C(F)C=C1 DY430169 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.1 NCC1=NC=C(F)C=C1 NO16554 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.1 NCC1=NC=C(F)C=N1 DY692319 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.1 NNC1=CC=C(Br)C=C1 NO15342 [1,0,0,0,0,0|1,1,0]=3 134 B9R1.1 NNC1=CC=C(Cl)C=C1 NO13495 [1,0,0,0,0,0|1,1,0]=3 135 B9R1.1 NNC1=CC=C(F)C=C1 NO22006 [1,0,0,0,0,0|1,0,0]=2 136 B9R1.1 NNC1=CC=C(N)C=N1 DY713641 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 NNC1=CN=C(Cl)C=C1 DY524685 [1,0,0,0,0,0|2,1,0]=4 138 B9R1.1 NNC1=NC=C(Br)C=C1 NO19995 [1,0,0,0,0,0|2,1,0]=4 139 B9R1.1 NNC1=NC=C(Cl)C=C1 NO20219 [1,0,0,0,0,0|2,1,0]=4 140 B9R1.1 NNC1=NC=C(F)C=C1 NO17301 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 O=C1C=CC(CO)=CN1 NO19816 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 O=CC1=CC=C(Br)C=C1 NO18612 [1,0,0,0,0,0|1,1,1]=4 143 B9R1.1 O=CC1=CC=C(Cl)C=C1 NO14843 [1,0,0,0,0,0|1,1,1]=4 144 B9R1.1 O=CC1=CC=C(F)C=C1 NO19072 [1,0,0,0,0,0|1,0,1]=3 145 B9R1.1 O=CC1=CC=C(I)C=C1 NO20133 [1,0,0,0,0,0|1,1,1]=4 146 B9R1.1 O=CC1=CC=C(O)C=C1 NO18686 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.1 O=CC1=CN=C(F)C=C1 NO19261 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.1 O=CC1=NC=C(F)C=C1 NO20057 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.1 OCC1=CC=C(Br)C=C1 NO19378 [1,0,0,0,0,0|1,1,0]=3 150 B9R1.1 OCC1=CC=C(Cl)C=C1 NO19353 [1,0,0,0,0,0|1,1,0]=3 151 B9R1.1 OCC1=CC=C(O)C=C1 NO19212 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.1 OCC1=CN=C(Cl)C=C1 DY20657 [1,0,0,0,0,0|2,1,0]=4 153 B9R1.1 OCC1=NC=C(Br)C=C1 NO23005 [1,0,0,0,0,0|2,1,0]=4 154 B9R1.1 OCC1=NC=C(Cl)C=C1 NO21758 [1,0,0,0,0,0|2,1,0]=4 155 B9R1.1 OCC1=NC=C(F)C=C1 NO10382 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.1 OCC1=NC=C(F)C=N1 DY103703 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.8 C#CCC1=CC=CC=C1 DY501873 [1,0,0,0,0,0|1,0,1]=3 159 B9R1.8 CCCC1=CC=CN=C1 NO22402 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.8 CNCC1=CC=CC=C1 DY10559 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.8 CNCC1=CC=CC=C1 DY20323 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.8 CNCC1=CC=CC=C1 DY21006 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.8 CNCC1=CC=CN=C1 NO18846 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.8 CNCC1=CC=NC=C1 DY712153 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.8 CNCC1=NC=CC=C1 DY501242 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.8 CNCC1=NC=CC=C1 DY663671 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.8 COCC1=NC=CC=C1 NO20909 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.8 ClCCC1=CC=NC=C1 NO17913 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.8 ClCCC1=NC=CN=C1 DY585865 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.8 N#CCC1=CC=CN=C1 NO18407 [1,0,0,0,0,0|1,0,2]=4 172 B9R1.8 N#CCC1=CC=NC=C1 NO20239 [1,0,0,0,0,0|1,0,2]=4 173 B9R1.8 N#CCC1=NC=CC=C1 NO18926 [1,0,0,0,0,0|1,0,2]=4 174 B9R1.8 N#C[Se]C1=CC=CC=C1 DY822031 [1,0,0,0,0,0|1,0,2]=4 175 B9R1.8 NCCC1=CC=CN=C1 NO21892 [1,0,0,0,0,0|1,0,0]=2 176 B9R1.8 NCCC1=CN=CN=C1 DY693160 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.8 NCCC1=NC=CC=C1 NO14064 [1,0,0,0,0,0|1,0,0]=2 178 B9R1.8 NCCC1=NC=CC=N1 DY510693 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.8 NNCC1=CC=CC=C1 NO11006 [1,0,0,0,0,0|1,0,0]=2 180 B9R1.8 NNCC1=CC=CC=C1 NO12127 [1,0,0,0,0,0|1,0,0]=2 181 B9R1.8 NNCC1=CC=NC=C1 DY518961 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.8 NNCC1=NC=CC=C1 DY578445 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.8 NOCC1=CC=CC=C1 NO14063 [1,0,0,0,0,0|1,0,0]=2 184 B9R1.8 OCCC1=CN=CN=C1 NO12401 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.8 ONCC1=CC=CC=C1 DY563853 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.8 ONCC1=CC=CC=C1 NO11753 [1,0,0,0,0,0|2,0,0]=3 187 B11R1.1 BrCCOc1ccc(Br)cc1 DY452404 [0,1,0,0,0,0|1,1,0]=3 188 B11R1.1 CCCCC1=CC=C(C)C=C1 DY791931 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.1 CCCCC1=CN=C(C)C=C1 DY797679 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.1 CCNCC1=CC=C(Br)N=C1 DY663002 [0,1,0,0,0,0|2,1,0]=4 191 B11R1.1 CCOCC1=CC=C(N)C=C1 DY575247 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.1 CCOCC1=CC=C(O)C=C1 NO16541 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.1 CCOCC1=CN=C(Br)C=C1 DY716528 [0,1,0,0,0,0|2,1,0]=4 194 B11R1.1 CNCCC1=CC=C(Cl)C=C1 DY794949 [0,1,0,0,0,0|0,1,0]=2 195 B11R1.1 COCOC1=CC=C(C)C=C1 DY449074 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.1 COCOC1=CC=C(Cl)C=C1 DY449092 [0,1,0,0,0,0|2,1,0]=4 197 B11R1.1 COCOC1=CC=C(F)C=C1 DY449098 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.1 ClC1=CC=C(OCCBr)C=C1 DY20815 [0,1,0,0,0,0|1,1,0]=3 199 B11R1.1 N#CC#CC1=CC=C(F)C=C1 DY561339 [0,1,0,0,0,0|0,0,3]=4 200 B11R1.1 N#CCSC1=CC=C(F)C=C1 DY792519 [0,1,0,0,0,0|0,0,2]=3 201 B11R1.1 N#C\C=C\C1=CC=C(F)C=C1 DY107446 [0,1,0,0,0,0|0,0,3]=4 202 B11R1.1 NCCCC1=CC=C(F)C=C1 DY501891 [0,1,0,0,0,0|0,0,0]=1 203 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 NO14013 [0,1,0,0,0,0|1,0,2]=4 204 B11R1.1 OCCCC1=CC=C(Cl)C=C1 DY797043 [0,1,0,0,0,0|1,1,0]=3 205 B11R1.1 OCCCC1=CC=C(O)C=C1 DY502467 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.1 OCCSC1=NC=C(Cl)C=C1 DY653586 [0,1,0,0,0,0|2,1,0]=4 207 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 DY10315 [0,1,0,0,0,0|1,1,1]=4 208 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 NO22844 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 DY20138 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 DY433485 [0,1,0,0,0,0|1,1,0]=3 211 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 DY798087 [0,1,0,0,0,0|2,1,0]=4 212 B11R1.20 CC(C)NC1=CC=C(F)C=C1 NO22842 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.20 CC(C)OC1=CC=C(N)C=C1 NO10912 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 DY797913 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 NO21084 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.20 FC(F)Oc1ccc(Br)cc1 NO19168 [0,1,0,0,0,0|2,1,0]=4 217 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 NO21002 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.20 NC1=CC=C(OC(F)F)C=C1 NO13962 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 NO20812 [0,1,0,0,0,0|1,1,1]=4 220 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 NO10817 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 NO20852 [0,1,0,0,0,0|1,1,1]=4 222 B11R1.22 CC(CO)C1=CC=C(Br)C=C1 DY454677 [0,1,0,0,0,0|1,1,0]=3 223 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 DY563697 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 NO22698 [0,1,0,0,0,0|1,1,1]=4 225 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 NO22795 [0,1,0,0,0,0|1,1,1]=4 226 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 NO22846 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 DY584618 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 NO15690 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.22 CCC(=O)C1=CC=C(S)C=C1 DY747823 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 NO18281 [0,1,0,0,0,0|1,1,0]=3 231 B11R1.22 CCC(N)C1=CC=C(O)C=C1 DY605123 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 DY621657 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 DY623735 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.22 COC(=O)C1=CC=C(F)C=C1 NO20841 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.22 C[C@H](CO)C1=CC=C(F)C=C1 DY624193 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.22 N#CC(=O)C1=CC=C(F)C=C1 DY744997 [0,1,0,0,0,0|0,0,3]=4 237 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 NO10839 [0,1,0,0,0,0|0,1,1]=3 238 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 DY570813 [0,1,0,0,0,0|0,1,1]=3 239 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 NO20894 [0,1,0,0,0,0|0,1,1]=3 240 B11R1.22 NCC(O)C1=CC=C(F)C=C1 DY746641 [0,1,0,0,0,0|0,0,0]=1 241 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 DY20179 [0,1,0,0,0,0|1,1,1]=4 242 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 NO16150 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 DY507920 [0,1,0,0,0,0|1,1,0]=3 244 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 DY584553 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 NO19445 [0,1,0,0,0,0|1,1,1]=4 246 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 NO20678 [0,1,0,0,0,0|1,0,1]=3 247 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 NO10771 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 NO14324 [0,1,0,0,0,0|1,1,1]=4 249 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 DY41236 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.81 CCOC1=C(N)C=C(C)C=C1 DY584348 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.81 CCOC1=C(O)C=C(Cl)C=C1 DY451090 [0,1,0,0,0,0|2,1,0]=4 252 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 DY822069 [0,1,0,0,0,0|1,1,0]=3 253 B11R1.81 N#CCC1=C(Br)C=C(Cl)C=C1 DY40754 [0,1,0,0,0,0|0,1,2]=4 254 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 NO13698 [0,1,0,0,0,0|0,0,2]=3 255 B11R1.81 N#CCC1=C(Cl)C=C(Cl)C=C1 NO15393 [0,1,0,0,0,0|0,1,2]=4 256 B11R1.81 N#CCC1=C(Cl)C=C(F)C=C1 NO20640 [0,1,0,0,0,0|0,0,2]=3 257 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 NO22644 [0,1,0,0,0,0|0,1,2]=4 258 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 NO10683 [0,1,0,0,0,0|0,0,2]=3 259 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 DY557865 [0,1,0,0,0,0|1,1,0]=3 260 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 DY584702 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.83 C#CC1=CC=C(CC#N)C=C1 DY550389 [0,1,0,0,0,0|1,0,2]=4 262 B11R1.83 C#CC1=CC=C(OCC)C=C1 NO11063 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.83 C#CCC1=CC=C(OC)C=C1 DY519381 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.83 C=CCC1=CC=C(OC)C=C1 DY521667 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.83 CCC1=CC=C(CNN)C=C1 DY610819 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.83 CCC1=CN=C(CCO)C=C1 NO10373 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.83 CCCC1=CC=C(CN)C=C1 NO10109 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.83 CCCC1=CC=C(CO)C=C1 DY584401 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.83 CCOC1=CC=C(C=O)C=C1 NO22818 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.83 CCOC1=CC=C(CO)C=C1 NO22820 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.83 CNCC1=CC=C(OC)C=C1 NO18429 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.83 COC1=CC=C(CC#N)C=C1 NO13459 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.83 COC1=CC=C(CNN)C=C1 NO20199 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.83 COC1=CC=C(CON)C=C1 NO20566 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.83 N#CC1=CC=C(CCBr)C=C1 NO12532 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.83 N#CC1=CC=C(CCN)C=C1 NO22808 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.83 N#CC1=CC=C(CCO)C=C1 NO22434 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.83 O=CC1=CC=C(CCO)C=C1 NO16581 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.192 CC1=C(Br)C=C(CC#N)C=C1 DY584714 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.192 CC1=C(F)C=CC(CC#N)=C1 DY40778 [0,1,0,0,0,0|0,0,2]=3 281 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 NO16022 [0,1,0,0,0,0|2,1,0]=4 282 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 NO11711 [0,1,0,0,0,0|2,1,0]=4 283 B11R1.192 CNCC1=CC=C(O)C(O)=C1 DY502761 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 DY584641 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.192 FC1=C(F)C=C(N=C=S)C=C1 DY41067 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.192 Fc1ccc(C[Zn]Br)cc1F DY794193 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 NO20633 [0,1,0,0,0,0|0,1,2]=4 288 B11R1.192 N#CCC1=CC(Cl)=C(F)C=C1 NO18657 [0,1,0,0,0,0|0,0,2]=3 289 B11R1.192 N#CCC1=CC(F)=C(Br)C=C1 NO15044 [0,1,0,0,0,0|0,1,2]=4 290 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 NO21933 [0,1,0,0,0,0|0,1,0]=2 291 B11R1.192 NCCC1=CC(F)=C(F)C=C1 DY584648 [0,1,0,0,0,0|0,0,0]=1 292 B11R1.192 NCCC1=CC=C(O)C(O)=C1 NO15345 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.192 O=CCC1=CC(O)=C(O)C=C1 DY745117 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 NO21932 [0,1,0,0,0,0|1,1,0]=3 295 B11R1.192 OCCC1=CC(Cl)=C(F)C=C1 DY584825 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 DY584900 [0,1,0,0,0,0|1,1,0]=3 297 B11R2.34 BrC1=CC=C(C2CC2)C=C1 NO22811 [0,0,0,1,0,0|1,1,0]=3 298 B11R2.34 BrC1=CN=C(C2CC2)C=C1 DY561543 [0,0,0,1,0,0|2,1,0]=4 299 B11R2.34 CC1=CC=C(C2CC2)C=C1 DY789057 [0,0,0,1,0,0|2,0,0]=3 300 B11R2.34 FC1=CC=C(C2CO2)C=C1 DY534555 [0,0,0,1,0,0|1,0,0]=2 301 B11R2.34 NC1=CC=C(C2CC2)C=C1 DY548169 [0,0,0,1,0,0|2,0,0]=3 302 B11R2.34 NC1=CC=C(C2CC2)C=C1 NO17100 [0,0,0,1,0,0|2,0,0]=3 303 B11R2.34 OC1=NC=C(C2CC2)C=C1 DY508466 [0,0,0,1,0,0|3,0,0]=4 304 B11R2.36 BrC1=CC2=C(C=C1)OCC2 DY20389 [0,0,0,1,0,0|2,1,0]=4 305 B11R2.36 BrC1=CC=C2C=CNC2=C1 NO22089 [0,0,0,1,0,0|0,1,2]=4 306 B11R2.36 BrC1=CC=C2CCNC2=C1 NO17623 [0,0,0,1,0,0|0,1,0]=2 307 B11R2.36 BrC1=CC=C2CNCC2=C1 DY20658 [0,0,0,1,0,0|2,1,0]=4 308 B11R2.36 BrC1=CC=C2CNCC2=C1 NO14408 [0,0,0,1,0,0|2,1,0]=4 309 B11R2.36 BrC1=CC=C2NCCC2=C1 NO10836 [0,0,0,1,0,0|2,1,0]=4 310 B11R2.36 BrC1=CN=C2CCCC2=C1 NO22164 [0,0,0,1,0,0|2,1,0]=4 311 B11R2.36 Brc1ccc2c(c1)OCO2 NO19789 [0,0,0,1,0,0|2,1,0]=4 312 B11R2.36 CC1=CC=C2C=CNC2=C1 DY455868 [0,0,0,1,0,0|1,0,2]=4 313 B11R2.36 CC1=CC=C2CNCC2=C1 DY431420 [0,0,0,1,0,0|3,0,0]=4 314 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 DY443515 [0,0,0,1,0,0|1,1,1]=4 315 B11R2.36 ClC1=CC2=C(C=N1)CCN2 NO14935 [0,0,0,1,0,0|1,1,0]=3 316 B11R2.36 ClC1=CC=C2C=CNC2=C1 NO22097 [0,0,0,1,0,0|0,1,2]=4 317 B11R2.36 ClC1=CC=C2C=NNC2=C1 NO18428 [0,0,0,1,0,0|1,1,1]=4 318 B11R2.36 ClC1=CC=C2CCNC2=C1 NO19407 [0,0,0,1,0,0|0,1,0]=2 319 B11R2.36 ClC1=CC=C2CNCC2=C1 NO15340 [0,0,0,1,0,0|2,1,0]=4 320 B11R2.36 ClC1=CC=C2NCCC2=C1 DY20079 [0,0,0,1,0,0|2,1,0]=4 321 B11R2.36 ClC1=CC=C2NCCC2=C1 DY630382 [0,0,0,1,0,0|2,1,0]=4 322 B11R2.36 FC1=CC2=C(C=C1)ON=C2 DY751753 [0,0,0,1,0,0|3,0,0]=4 323 B11R2.36 FC1=CC2=C(C=C1)SC=C2 DY447807 [0,0,0,1,0,0|2,0,1]=4 324 B11R2.36 FC1=CC2=NSN=C2C=C1 DY532485 [0,0,0,1,0,0|2,0,1]=4 325 B11R2.36 FC1=CC=C2C=NNC2=C1 NO18253 [0,0,0,1,0,0|1,0,1]=3 326 B11R2.36 FC1=CC=C2CCCC2=C1 NO16751 [0,0,0,1,0,0|1,0,0]=2 327 B11R2.36 FC1=CC=C2CCNC2=C1 DY443334 [0,0,0,1,0,0|0,0,0]=1 328 B11R2.36 FC1=CC=C2CNCC2=C1 DY459041 [0,0,0,1,0,0|2,0,0]=3 329 B11R2.36 FC1=CC=C2CNCC2=C1 NO15207 [0,0,0,1,0,0|2,0,0]=3 330 B11R2.36 FC1=CC=C2NN=CC2=C1 NO18254 [0,0,0,1,0,0|3,0,0]=4 331 B11R2.36 FC1=CN=C2C=CNC2=C1 DY105230 [0,0,0,1,0,0|1,0,2]=4 332 B11R2.36 IC1=CC=C2C=CNC2=C1 NO13433 [0,0,0,1,0,0|0,1,2]=4 333 B11R2.36 IC1=CC=C2C=NNC2=C1 DY20851 [0,0,0,1,0,0|1,1,1]=4 334 B11R2.36 IC1=CN=C2CCCC2=C1 DY675123 [0,0,0,1,0,0|2,1,0]=4 335 B11R2.36 NC1=CC2=C(C=C1)CCO2 DY561471 [0,0,0,1,0,0|2,0,0]=3 336 B11R2.36 NC1=CC2=C(C=C1)OCO2 NO20315 [0,0,0,1,0,0|3,0,0]=4 337 B11R2.36 NC1=CC=C2C=NNC2=C1 NO15642 [0,0,0,1,0,0|2,0,1]=4 338 B11R2.36 NC1=CC=C2CNCC2=C1 DY20849 [0,0,0,1,0,0|3,0,0]=4 339 B11R2.36 NC1=CC=C2CNCC2=C1 DY555549 [0,0,0,1,0,0|3,0,0]=4 340 B11R2.36 NC1=CC=C2NCCC2=C1 DY630744 [0,0,0,1,0,0|3,0,0]=4 341 B11R2.36 NC1=CN=C2CCCC2=C1 DY100354 [0,0,0,1,0,0|3,0,0]=4 342 B11R2.36 OC1=CC2=C(C=C1)CCO2 NO16031 [0,0,0,1,0,0|2,0,0]=3 343 B11R2.36 OC1=CC=C2C=NNC2=C1 NO20712 [0,0,0,1,0,0|2,0,1]=4 344 B11R2.36 OC1=CC=C2CCNC2=C1 DY630750 [0,0,0,1,0,0|1,0,0]=2 345 B11R2.36 OC1=CC=C2CNCC2=C1 DY446903 [0,0,0,1,0,0|3,0,0]=4 346 B9R1.7 NCCC1=CN=C(O)S1 DY110548 [0,0,0,0,1,0|3,0,0]=4 347 B9R1.7 NCCC1=CSC(N)=N1 DY602437 [0,0,0,0,1,0|3,0,0]=4 348 B9R1.7 NCCN1C=C(F)C=N1 DY646050 [0,0,0,0,1,0|2,0,0]=3 349 B9R1.7 NNCC1=CSC(Cl)=C1 DY104510 [0,0,0,0,1,0|2,1,0]=4 350 B9R1.7 OCCC1=CC=C(Br)S1 DY447413 [0,0,0,0,1,0|2,1,0]=4 351 B8R1.2 BrCC1=CC=NC=C1 NO22459 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.2 C#CC1=CC=CC=C1 NO19127 [2,0,0,0,0,0|0,0,2]=4 353 B8R1.2 CCC1=CC=CN=C1 NO22277 [2,0,0,0,0,0|1,0,0]=3 354 B8R1.2 CCC1=NC=CN=C1 NO21534 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.2 CNC1=CC=CC=C1 NO11792 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.2 CNC1=CC=CN=C1 NO13856 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.2 COC1=CC=CN=C1 NO22348 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.2 COC1=CC=NC=C1 NO19206 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.2 COC1=CC=[C-]C=C1 DY747109 [2,0,0,0,0,0|1,0,1]=4 360 B8R1.2 COC1=NC=CC=C1 NO18780 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.2 ClCC1=CC=CN=C1 NO19291 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.2 ClCC1=NC=CC=C1 NO19289 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.2 ClSC1=CC=CC=C1 DY799077 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.2 ICC1=CC=CC=C1 NO11000 [2,0,0,0,0,0|1,0,0]=3 365 B8R1.2 N#Cc1ccccc1 NO13696 [2,0,0,0,0,0|0,0,2]=4 366 B8R1.2 NCC1=CC=CN=C1 NO14226 [2,0,0,0,0,0|1,0,0]=3 367 B8R1.2 NCC1=CC=NC=C1 NO11906 [2,0,0,0,0,0|1,0,0]=3 368 B8R1.2 NCC1=CC=NC=C1 NO19023 [2,0,0,0,0,0|1,0,0]=3 369 B8R1.2 NCC1=CN=NC=C1 NO15014 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.2 NCC1=CN=NC=C1 NO15515 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.2 NCC1=NC=CC=C1 DY663911 [2,0,0,0,0,0|1,0,0]=3 372 B8R1.2 NCC1=NC=CC=N1 NO21304 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.2 NCC1=NC=CN=C1 DY710323 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.2 NCC1=NC=CN=C1 NO19691 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.2 NCC1=NC=CN=C1 NO20245 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.2 NNC1=CC=CC=C1 NO15210 [2,0,0,0,0,0|1,0,0]=3 377 B8R1.2 NNC1=CC=CN=C1 NO15491 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.2 NNC1=CC=CN=C1 NO22308 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.2 NNC1=CC=NC=C1 DY20777 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.2 NNC1=NC=CC=C1 NO15589 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.2 NNC1=NC=CC=C1 NO21573 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.2 OCC1=CC=CN=C1 NO22409 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.2 OCC1=CC=NC=C1 NO19163 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.2 OCC1=NC=CC=C1 NO19164 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.3 BrC1=CC=C(Br)C=C1 DY41477 [2,0,0,0,0,0|1,1,0]=4 386 B8R1.3 BrC1=CC=C(I)C=C1 NO22911 [2,0,0,0,0,0|1,1,0]=4 387 B8R1.3 CC1=CC=C(Br)C=C1 DY20922 [2,0,0,0,0,0|0,1,0]=3 388 B8R1.3 CC1=CC=C(N)C=C1 NO11898 [2,0,0,0,0,0|1,0,0]=3 389 B8R1.3 CC1=CC=C(N)C=N1 NO19519 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.3 CC1=CN=C(Br)C=C1 NO21837 [2,0,0,0,0,0|1,1,0]=4 391 B8R1.3 CC1=CN=C(C)C=C1 NO21154 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.3 CC1=CN=C(Cl)C=C1 NO19287 [2,0,0,0,0,0|1,1,0]=4 393 B8R1.3 CC1=CN=C(F)C=C1 NO21872 [2,0,0,0,0,0|1,0,0]=3 394 B8R1.3 CC1=CN=C(N)C=C1 NO21820 [2,0,0,0,0,0|2,0,0]=4 395 B8R1.3 CC1=CN=C(O)C=C1 NO16275 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.3 CC1=CNC(=O)C=C1 NO21591 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.3 CC1=NC=C(Br)C=C1 NO22031 [2,0,0,0,0,0|1,1,0]=4 398 B8R1.3 CC1=NC=C(Cl)C=C1 DY568875 [2,0,0,0,0,0|1,1,0]=4 399 B8R1.3 ClC1=CC=C(Br)C=C1 NO22677 [2,0,0,0,0,0|1,1,0]=4 400 B8R1.3 ClC1=CC=C(I)C=C1 NO19235 [2,0,0,0,0,0|1,1,0]=4 401 B8R1.3 FC1=CC=C(Cl)C=C1 NO20666 [2,0,0,0,0,0|1,0,0]=3 402 B8R1.3 FC1=CC=C(I)C=C1 NO22840 [2,0,0,0,0,0|1,0,0]=3 403 B8R1.3 FC1=CC=C(S)C=C1 DY20299 [2,0,0,0,0,0|1,0,0]=3 404 B8R1.3 FC1=CN=C(Br)C=C1 NO21836 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.3 FC1=CN=C(Cl)C=C1 NO21851 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.3 FC1=CN=C(I)C=C1 NO10383 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.3 FC1=NC=C(Br)C=C1 NO22028 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.3 FC1=NC=C(Cl)C=C1 NO17313 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.3 FC1=NC=C(I)C=C1 NO17371 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.3 IC1=CC=C(I)C=C1 NO19213 [2,0,0,0,0,0|1,1,0]=4 411 B8R1.3 NC1=CC=C(Br)N=C1 NO21910 [2,0,0,0,0,0|1,1,0]=4 412 B8R1.3 NC1=CC=C(Cl)C=C1 NO18588 [2,0,0,0,0,0|0,1,0]=3 413 B8R1.3 NC1=CC=C(Cl)N=C1 NO21849 [2,0,0,0,0,0|1,1,0]=4 414 B8R1.3 NC1=CC=C(F)N=C1 NO22740 [2,0,0,0,0,0|1,0,0]=3 415 B8R1.3 NC1=CC=C(F)N=N1 NO17801 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.3 NC1=CC=C(I)C=C1 DY452056 [2,0,0,0,0,0|0,1,0]=3 417 B8R1.3 NC1=CC=C(N)C=C1 DY822026 [2,0,0,0,0,0|1,0,0]=3 418 B8R1.3 NC1=CC=C(N)C=C1 NO18589 [2,0,0,0,0,0|1,0,0]=3 419 B8R1.3 NC1=CC=C(O)C=N1 NO13087 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.3 NC1=CC=C(O)C=N1 NO18367 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.3 NC1=CN=C(N)C=C1 NO15186 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.3 NC1=CN=C(O)C=C1 NO10211 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.3 NC1=CN=C(O)C=C1 NO18129 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.3 NC1=CNC(=O)C=C1 NO15177 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.3 NC1=NC=C(Cl)C=C1 NO21816 [2,0,0,0,0,0|1,1,0]=4 426 B8R1.3 NC1=NC=C(F)C=C1 NO21818 [2,0,0,0,0,0|1,0,0]=3 427 B8R1.3 NC1=NC=C(F)C=N1 NO21760 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.3 NC1=NC=C(I)C=C1 NO17736 [2,0,0,0,0,0|1,1,0]=4 429 B8R1.3 OC1=CC=C(Cl)C=C1 NO22792 [2,0,0,0,0,0|1,1,0]=4 430 B8R1.3 OC1=CC=C(F)N=C1 NO14991 [2,0,0,0,0,0|2,0,0]=4 431 B8R1.3 OC1=CC=C(I)C=C1 DY20152 [2,0,0,0,0,0|1,1,0]=4 432 B8R1.3 SC1=CC=C(Br)C=C1 DY20198 [2,0,0,0,0,0|1,1,0]=4 433 B8R1.3 SC1=CC=C(Cl)C=C1 DY822118 [2,0,0,0,0,0|1,1,0]=4 434 B8R1.3 SC1=CC=C(S)C=C1 DY563991 [2,0,0,0,0,0|2,0,0]=4 435 B10R1.3 C#CC1=CC=C(CN)C=C1 DY537105 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.3 C#CC1=CC=C(OC)C=C1 NO21617 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.3 CCC1=CC=C(C#N)C=C1 DY585128 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.3 CCC1=CC=C(CC)C=C1 DY822052 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.3 CCC1=CC=C(CO)C=C1 DY450460 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.3 CCC1=CC=C(NN)C=C1 NO16126 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.3 COC1=CC=C(C#N)C=C1 NO19381 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.3 COC1=CC=C(C=O)C=C1 NO18687 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.3 COC1=CC=C(CBr)C=C1 DY545847 [1,1,0,0,0,0|1,1,0]=4 444 B10R1.3 COC1=CC=C(CF)C=C1 DY530067 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.3 COC1=CC=C(CN)C=C1 NO18898 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.3 COC1=CC=C(CN)C=N1 DY103395 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.3 COC1=CC=C(CO)C=C1 NO22932 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.3 COC1=CC=C(NN)C=C1 NO19581 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.3 CSC1=CC=C(NN)C=C1 DY794649 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.3 N#CC1=CC=C(CBr)C=C1 NO18792 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.3 N#CC1=CC=C(CCl)C=C1 NO17835 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.3 N#CC1=CC=C(CN)C=C1 NO19851 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.3 N#CC1=CC=C(NN)C=C1 NO20304 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.3 NCC1=CC=C(CO)C=C1 NO18290 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.3 O=CC1=CC=C(CBr)C=C1 DY41097 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.3 O=CC1=CC=C(CCl)C=C1 DY569403 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.3 O=CC1=CC=C(CO)C=C1 NO15415 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.3 OCC1=CC=C(CBr)C=C1 NO20041 [1,1,0,0,0,0|1,1,0]=4 459 B10R1.3 OCC1=CC=C(CO)C=C1 NO20456 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.13 C=C(C)C1=CC=C(C)C=C1 DY790917 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 NO19447 [1,1,0,0,0,0|0,1,1]=4 462 B10R1.13 CC(=O)C1=CC=C(C)C=C1 NO13558 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.13 CC(=O)C1=CC=C(F)C=C1 NO14299 [1,1,0,0,0,0|0,0,1]=3 464 B10R1.13 CC(=O)C1=CC=C(F)N=C1 NO16982 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.13 CC(=O)C1=CC=C(N)C=C1 DY20162 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.13 CC(=O)C1=CC=C(N)C=C1 DY795321 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.13 CC(=O)C1=CC=C(O)C=C1 NO22884 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.13 CC(=O)c1ccc(I)cc1 DY433245 [1,1,0,0,0,0|0,1,1]=4 469 B10R1.13 CC(Br)C1=CC=C(F)C=C1 NO16140 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.13 CC(C)C1=CC=C(Br)C=C1 NO19162 [1,1,0,0,0,0|0,1,0]=3 471 B10R1.13 CC(C)C1=CC=C(F)C=C1 DY584364 [1,1,0,0,0,0|0,0,0]=2 472 B10R1.13 CC(C)C1=CC=C(N)C=C1 NO22915 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.13 CC(C)C1=CC=C(N)C=N1 NO22406 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.13 CC(C)C1=CC=C(O)C=C1 DY583593 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.13 CC(C)C1=CN=C(N)C=C1 NO21752 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.13 CC(N)C1=CC=C(F)C=C1 DY40832 [1,1,0,0,0,0|0,0,0]=2 477 B10R1.13 CC(N)C1=CC=C(N)C=C1 NO22422 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.13 CC(O)C1=CC=C(Br)C=C1 DY448036 [1,1,0,0,0,0|0,1,0]=3 479 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 DY549597 [1,1,0,0,0,0|0,1,0]=3 480 B10R1.13 CC(O)C1=NC=C(Br)C=C1 DY446891 [1,1,0,0,0,0|1,1,0]=4 481 B10R1.13 CC1=CC=C(C(=N)N)C=C1 NO20439 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.13 CC1=CC=C(C(N)=O)C=C1 NO11895 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.13 CC1=CC=C([C@@H](C)N)C=N1 DY716654 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 DY545757 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 NO18822 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.13 CC1=CN=C(C(C)N)C=C1 DY577449 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 DY511971 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.13 CN(C)C1=CC=C(Br)C=C1 NO15132 [1,1,0,0,0,0|1,1,0]=4 489 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 DY20289 [1,1,0,0,0,0|1,1,0]=4 490 B10R1.13 CN(C)C1=CC=C(O)C=C1 NO16528 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 NO20256 [1,1,0,0,0,0|0,1,0]=3 492 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 DY565797 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.13 C[C@@H](N)C1=NC=C(Br)C=C1 DY621591 [1,1,0,0,0,0|1,1,0]=4 494 B10R1.13 C[C@H](N)C1=CC=C(Br)N=C1 DY651938 [1,1,0,0,0,0|1,1,0]=4 495 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 DY554067 [1,1,0,0,0,0|0,1,0]=3 496 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 DY541875 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 NO16980 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.13 Cc1ccc(C(C)C)cc1 DY444976 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 DY21022 [1,1,0,0,0,0|0,1,1]=4 500 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 NO20283 [1,1,0,0,0,0|0,1,1]=4 501 B10R1.13 N=C(N)C1=CC=C(F)C=C1 NO18318 [1,1,0,0,0,0|0,0,1]=3 502 B10R1.13 N=C(N)C1=CC=C(F)N=C1 DY586654 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.13 N=C(N)C1=CC=C(N)C=C1 NO21974 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.13 N=C(N)C1=NC=C(F)C=C1 DY509402 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.13 N=C(N)C1=NC=C(F)C=C1 DY586633 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.13 NC(=O)C1=CC=C(F)C=C1 NO10426 [1,1,0,0,0,0|0,0,1]=3 507 B10R1.13 NC(=O)C1=NC=C(F)C=C1 NO16336 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 DY544419 [1,1,0,0,0,0|0,1,1]=4 509 B10R1.13 NC(=S)C1=CC=C(F)C=C1 DY584372 [1,1,0,0,0,0|0,0,1]=3 510 B10R1.13 NC(=S)C1=CC=C(O)C=C1 NO20343 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.13 NC1=CC=C(C(F)F)C=C1 NO17592 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 DY40351 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 NO22843 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.13 OB(O)C1=CC=C(F)C=C1 NO23000 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.13 OC1=CC=C(C(F)F)C=C1 NO15692 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.25 C#CC1=C(Br)C=C(F)C=C1 DY788643 [1,1,0,0,0,0|0,0,2]=4 517 B10R1.25 C#CC1=C(F)C=C(F)C=C1 DY585106 [1,1,0,0,0,0|0,0,2]=4 518 B10R1.25 CC1=C(C#N)C=CC(F)=C1 DY20042 [1,1,0,0,0,0|0,0,2]=4 519 B10R1.25 CC1=C(C=O)C=CC(F)=C1 NO10809 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 DY584433 [1,1,0,0,0,0|1,1,0]=4 521 B10R1.25 CC1=C(CN)C=NC(Br)=C1 DY715490 [1,1,0,0,0,0|1,1,0]=4 522 B10R1.25 CC1=C(CO)C=CC(O)=C1 DY449770 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.25 CC1=CC(C)=C(CBr)C=C1 NO21116 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.25 CC1=CC(C)=C(CO)C=C1 DY744535 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.25 CC1=CC(C)=C(NN)C=C1 NO20500 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 DY433989 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 NO20405 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.25 CC1=CC(F)=C(CO)C=C1 DY451432 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.25 CC1=CC(F)=CN=C1CN DY651571 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.25 CC1=CC(N)=C(CO)C=C1 NO21019 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.25 CCC1=CN=C(C)C=C1N DY660014 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.25 CCC1=CN=C(C)C=C1N DY711175 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.25 CCN1C=CC(N)=CC1=O DY517107 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 NO20168 [1,1,0,0,0,0|1,1,0]=4 535 B10R1.25 COC1=C(Br)C=C(I)C=C1 DY41320 [1,1,0,0,0,0|1,1,0]=4 536 B10R1.25 COC1=C(Br)C=C(N)C=C1 DY20804 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.25 COC1=C(Br)C=C(O)C=C1 NO18795 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.25 COC1=C(C)C=C(Br)C=C1 NO22652 [1,1,0,0,0,0|1,1,0]=4 539 B10R1.25 COC1=C(C)C=C(N)C=C1 NO18714 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.25 COC1=C(Cl)C=C(N)C=C1 NO14858 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.25 COC1=C(F)C=C(C)C=C1 DY452440 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.25 COC1=C(F)C=C(Cl)C=C1 DY584280 [1,1,0,0,0,0|1,1,0]=4 543 B10R1.25 COC1=C(F)C=C(N)C=C1 NO10515 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.25 COC1=C(F)C=C(O)C=C1 NO22287 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.25 COC1=C(I)C=C(Br)C=C1 NO17024 [1,1,0,0,0,0|1,1,0]=4 546 B10R1.25 COC1=C(I)C=C(N)C=C1 NO18915 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.25 COC1=C(I)C=C(N)C=C1 NO19301 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.25 COC1=C(N)C=C(Br)C=C1 NO10268 [1,1,0,0,0,0|1,1,0]=4 549 B10R1.25 COC1=C(N)C=C(C)C=C1 NO13548 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.25 COC1=C(N)C=C(Cl)C=C1 DY745633 [1,1,0,0,0,0|1,1,0]=4 551 B10R1.25 COC1=C(N)C=C(I)C=C1 DY584281 [1,1,0,0,0,0|1,1,0]=4 552 B10R1.25 COC1=C(N)C=C(N)C=C1 NO21066 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.25 COC1=C(O)C=C(C)C=C1 DY442401 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.25 COC1=C(O)C=C(F)C=C1 NO15779 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.25 COC1=NC=C(F)C=C1Br NO19396 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.25 COC1=NC=C(F)C=C1F DY508988 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 DY585122 [1,1,0,0,0,0|1,1,0]=4 558 B10R1.25 CSC1=C(Br)C=C(F)C=C1 DY452890 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.25 CSC1=C(C)C=C(O)C=C1 DY20571 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 NO15047 [1,1,0,0,0,0|1,1,0]=4 561 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 NO21097 [1,1,0,0,0,0|1,1,0]=4 562 B10R1.25 ClC1=CC(I)=C(CBr)C=C1 DY584761 [1,1,0,0,0,0|1,1,0]=4 563 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 NO19427 [1,1,0,0,0,0|1,1,0]=4 564 B10R1.25 FC1=C(CCl)C=CC(Cl)=C1 DY585180 [1,1,0,0,0,0|1,1,0]=4 565 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 NO20064 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.25 FC1=CC(F)=C(CBr)C=C1 DY40543 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.25 FC1=CC(F)=C(CCl)C=C1 DY40591 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.25 N#CC1=C(Br)C=C(F)C=C1 NO19659 [1,1,0,0,0,0|0,0,2]=4 569 B10R1.25 N#CC1=C(Cl)C=C(F)C=C1 NO10185 [1,1,0,0,0,0|0,0,2]=4 570 B10R1.25 N#CC1=C(F)C=C(F)C=C1 NO21106 [1,1,0,0,0,0|0,0,2]=4 571 B10R1.25 N#CC1=C(I)C=C(F)C=C1 NO16014 [1,1,0,0,0,0|0,0,2]=4 572 B10R1.25 N#CC1=C(N)C=C(F)C=C1 NO21248 [1,1,0,0,0,0|0,0,2]=4 573 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 DY40814 [1,1,0,0,0,0|0,1,0]=3 574 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 DY585043 [1,1,0,0,0,0|0,1,0]=3 575 B10R1.25 NCC1=C(F)C=C(F)C=C1 NO10473 [1,1,0,0,0,0|0,0,0]=2 576 B10R1.25 NCC1=NC=C(F)C=C1Cl DY651055 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.25 NNC1=C(Cl)C=C(Cl)C=C1 NO23006 [1,1,0,0,0,0|1,1,0]=4 578 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 NO19087 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.25 NNC1=C(Cl)C=C(I)C=C1 NO17119 [1,1,0,0,0,0|1,1,0]=4 580 B10R1.25 NNC1=C(F)C=C(Br)C=C1 NO18334 [1,1,0,0,0,0|1,1,0]=4 581 B10R1.25 NNC1=C(F)C=C(F)C=C1 NO23012 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.25 NNC1=NC=C(F)C=C1Cl DY432191 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 NO10226 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 NO10260 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.25 O=CC1=C(F)C=C(F)C=C1 NO18760 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.25 O=CC1=C(O)C=C(F)C=C1 NO20130 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 NO21073 [1,1,0,0,0,0|1,1,0]=4 588 B10R1.25 OCC1=C(Br)C=C(F)C=C1 DY452398 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.25 OCC1=C(Br)C=C(I)C=C1 DY584784 [1,1,0,0,0,0|1,1,0]=4 590 B10R1.25 OCC1=C(F)C=C(O)C=C1 NO13215 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.25 OCC1=C(O)C=C(Br)C=C1 NO10248 [1,1,0,0,0,0|1,1,0]=4 592 B10R1.25 OCC1=NC=C(F)C=C1Cl DY116262 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.176 C#CC1=CC(F)=C(F)C=C1 DY822090 [1,1,0,0,0,0|0,0,2]=4 594 B10R1.176 C=CC1=CC(F)=C(F)C=C1 NO19052 [1,1,0,0,0,0|0,0,2]=4 595 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 NO16721 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.176 CC1=C(Br)C=CC(CN)=C1 DY525519 [1,1,0,0,0,0|0,1,0]=3 597 B10R1.176 CC1=C(Br)N=CC(CN)=C1 DY651722 [1,1,0,0,0,0|1,1,0]=4 598 B10R1.176 CC1=C(C)C=C(CO)C=C1 DY40706 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.176 CC1=C(C)C=C(NN)C=C1 NO20502 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.176 CC1=C(C)N=C(CN)C=C1 DY651451 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.176 CC1=C(F)C=C(NN)C=C1 NO22289 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.176 CC1=C(F)C=CC(C#N)=C1 NO10743 [1,1,0,0,0,0|0,0,2]=4 603 B10R1.176 CC1=C(O)C=CC(CN)=C1 DY445599 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.176 CCC1=CC(C)=C(I)C=C1 DY575811 [1,1,0,0,0,0|0,1,0]=3 605 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 DY432619 [1,1,0,0,0,0|0,1,0]=3 606 B10R1.176 CCC1=CC(O)=C(N)C=C1 NO16266 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.176 CN1C=C(CN)C=CC1=O DY103927 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.176 CNC1=CC(F)=C(Br)C=C1 DY584691 [1,1,0,0,0,0|1,1,0]=4 609 B10R1.176 CNC1=CC(F)=C(F)C=C1 DY686725 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.176 COC1=CC(=O)C(F)=CN1 DY585273 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.176 COC1=CC(Br)=C(Br)C=C1 DY442365 [1,1,0,0,0,0|1,1,0]=4 612 B10R1.176 COC1=CC(Br)=C(C)C=C1 NO16376 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.176 COC1=CC(Br)=C(F)C=C1 NO15238 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.176 COC1=CC(Br)=C(N)C=C1 NO21359 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.176 COC1=CC(C)=C(N)C=C1 NO13421 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.176 COC1=CC(C)=C(O)C=C1 NO15470 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 NO14601 [1,1,0,0,0,0|1,1,0]=4 618 B10R1.176 COC1=CC(Cl)=C(N)C=C1 NO14656 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.176 COC1=CC(Cl)=C(O)C=C1 NO20293 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.176 COC1=CC(F)=C(Br)C=C1 DY460476 [1,1,0,0,0,0|1,1,0]=4 621 B10R1.176 COC1=CC(F)=C(Br)C=C1 NO10396 [1,1,0,0,0,0|1,1,0]=4 622 B10R1.176 COC1=CC(F)=C(C)C=C1 NO10872 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.176 COC1=CC(I)=C(N)C=C1 DY20577 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.176 COC1=CC(N)=C(Br)C=C1 NO18386 [1,1,0,0,0,0|1,1,0]=4 625 B10R1.176 COC1=CC(N)=C(C)C=C1 NO14868 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.176 COC1=CC(N)=C(Cl)C=C1 NO13990 [1,1,0,0,0,0|1,1,0]=4 627 B10R1.176 COC1=CC(N)=C(F)C=C1 NO12726 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.176 COC1=CC(N)=C(I)C=C1 NO15023 [1,1,0,0,0,0|1,1,0]=4 629 B10R1.176 COC1=CC(N)=C(O)C=C1 NO21254 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.176 COC1=CC(O)=C(Br)C=C1 NO21376 [1,1,0,0,0,0|1,1,0]=4 631 B10R1.176 COC1=CC(O)=C(Cl)C=C1 DY442395 [1,1,0,0,0,0|1,1,0]=4 632 B10R1.176 COC1=CC(O)=C(N)C=C1 NO21584 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.176 COC1=CC(S)=C(N)C=C1 DY797031 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.176 COC1=NC=C(F)C(Br)=C1 DY430405 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.176 COC1=NC=C(F)C(C)=C1 DY660038 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.176 COC1=NC=C(F)C(N)=C1 DY110902 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.176 CSC1=CC(F)=C(F)C=C1 DY452068 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 NO18826 [1,1,0,0,0,0|1,1,0]=4 639 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 DY20082 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.176 FC1=C(Cl)C=CC(CBr)=C1 NO19666 [1,1,0,0,0,0|1,1,0]=4 641 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 DY40585 [1,1,0,0,0,0|1,1,0]=4 642 B10R1.176 FC1=C(F)C=C(CCl)C=C1 DY433089 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.176 FC1=C(I)C=CC(CBr)=C1 DY584601 [1,1,0,0,0,0|1,1,0]=4 644 B10R1.176 FC1=NC=C(CBr)C=C1Cl DY430835 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.176 N#CC1=CC(Br)=C(F)C=C1 NO10167 [1,1,0,0,0,0|0,0,2]=4 646 B10R1.176 N#CC1=CC(Cl)=C(F)C=C1 NO19686 [1,1,0,0,0,0|0,0,2]=4 647 B10R1.176 N#CC1=CC(F)=C(F)C=C1 NO19727 [1,1,0,0,0,0|0,0,2]=4 648 B10R1.176 N#CC1=CC(N)=C(F)C=C1 NO16164 [1,1,0,0,0,0|0,0,2]=4 649 B10R1.176 N#CC1=CC(O)=C(F)C=C1 NO20043 [1,1,0,0,0,0|0,0,2]=4 650 B10R1.176 NCC1=CC(Br)=C(F)C=C1 DY584425 [1,1,0,0,0,0|0,0,0]=2 651 B10R1.176 NCC1=CC(Br)=C(F)N=C1 DY651547 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.176 NCC1=NC(Cl)=C(Cl)C=C1 DY536751 [1,1,0,0,0,0|1,1,0]=4 653 B10R1.176 NNC1=CC(Cl)=C(Cl)C=C1 NO19870 [1,1,0,0,0,0|1,1,0]=4 654 B10R1.176 NNC1=CC(F)=C(Br)C=C1 DY542625 [1,1,0,0,0,0|1,1,0]=4 655 B10R1.176 NNC1=CC(F)=C(F)C=C1 DY20003 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.176 NNC1=CC(F)=C(F)C=C1 DY610770 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.176 NNC1=CC(F)=C(F)C=C1 NO23015 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 NO10229 [1,1,0,0,0,0|1,0,1]=4 659 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 DY20026 [1,1,0,0,0,0|1,0,1]=4 660 B10R1.176 O=CC1=CC(F)=C(F)C=C1 NO14168 [1,1,0,0,0,0|1,0,1]=4 661 B10R1.176 O=CC1=CC(I)=C(F)C=C1 DY20286 [1,1,0,0,0,0|1,0,1]=4 662 B10R1.176 O=CC1=CC(O)=C(F)C=C1 DY41115 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.176 OCC1=CC(Br)=C(O)C=C1 NO21356 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 NO18809 [1,1,0,0,0,0|1,1,0]=4 665 B10R1.176 OCC1=CC(F)=C(Br)C=C1 NO20190 [1,1,0,0,0,0|1,1,0]=4 666 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 DY40694 [1,1,0,0,0,0|1,1,0]=4 667 B10R1.176 OCC1=CC(F)=C(F)C=C1 NO19362 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.176 OCC1=CC(F)=C(I)C=C1 DY585015 [1,1,0,0,0,0|1,1,0]=4 669 B10R1.176 OCC1=CC(I)=C(Br)C=C1 DY584846 [1,1,0,0,0,0|1,1,0]=4 670 B10R1.176 OCC1=CC(O)=C(Br)C=C1 NO16027 [1,1,0,0,0,0|1,1,0]=4 671 B10R1.4 CC1=NC=CC=C1CCN DY653840 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.4 CCOC1=C(Br)C=CC=C1 DY20149 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.4 CCOC1=C(F)C=CC=C1 DY452620 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.4 CNCC1=C(Br)C=CC=C1 DY455892 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.4 N#CCC1=C(Br)C=CC=C1 NO10707 [1,1,0,0,0,0|0,0,2]=4 676 B10R1.4 N#CCC1=C(Cl)C=CC=C1 NO21495 [1,1,0,0,0,0|0,0,2]=4 677 B10R1.4 N#CCC1=C(F)C=CC=C1 NO20772 [1,1,0,0,0,0|0,0,2]=4 678 B10R1.4 N#CCC1=C(N)C=CC=C1 NO20914 [1,1,0,0,0,0|0,0,2]=4 679 B10R1.4 NCCC1=C(Br)C=CC=C1 NO15138 [1,1,0,0,0,0|0,0,0]=2 680 B10R1.4 NCCC1=C(F)C=CC=C1 NO14793 [1,1,0,0,0,0|0,0,0]=2 681 B10R1.4 NCCC1=C(N)C=CC=C1 DY584423 [1,1,0,0,0,0|0,0,0]=2 682 B10R1.4 NCCC1=C(N)C=CC=C1 NO15970 [1,1,0,0,0,0|0,0,0]=2 683 B10R1.4 NCCC1=CC=CN=C1Cl DY585655 [1,1,0,0,0,0|1,0,0]=3 684 B10R1.4 NNCC1=C(F)C=CC=C1 NO20134 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.4 OCCC1=C(Br)C=CC=C1 NO21407 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.4 OCCC1=C(I)C=CC=C1 DY545007 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.10 CC1=CC(CC#N)=CC=C1 NO18941 [1,1,0,0,0,0|0,0,2]=4 688 B10R1.10 CC1=CC(CCN)=NC=C1 DY713209 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.10 CC1=CC=CC(CNN)=C1 DY514611 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.10 CCCC1=CN=CC(O)=C1 DY660255 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.10 CNCC1=CC(Cl)=CC=C1 DY456640 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.10 CNCC1=CC=CC(N)=C1 DY789483 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.10 Clc1cccc(CCBr)c1 DY584685 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.10 N#CCC1=CC(Br)=CC=C1 NO18969 [1,1,0,0,0,0|0,0,2]=4 696 B10R1.10 N#CCC1=CC(Cl)=CC=C1 NO13745 [1,1,0,0,0,0|0,0,2]=4 697 B10R1.10 N#CCC1=CC(F)=CC=C1 DY20212 [1,1,0,0,0,0|0,0,2]=4 698 B10R1.10 N#CCC1=CC(I)=CC=C1 DY584378 [1,1,0,0,0,0|0,0,2]=4 699 B10R1.10 NC1=CC=CC(CCO)=C1 NO22105 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.10 NC1=CC=CC(CCO)=N1 DY608453 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.10 NCCC1=CC(Br)=CC=C1 NO15159 [1,1,0,0,0,0|0,0,0]=2 702 B10R1.10 NCCC1=NC(Cl)=CC=C1 DY654324 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.10 NCCc1cccc(O)c1 DY552393 [1,1,0,0,0,0|0,0,0]=2 704 B10R1.10 NNCC1=CC(Cl)=CC=C1 DY544953 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.10 NNCC1=CC(O)=CC=C1 DY10382 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.10 OCCC1=CC(Br)=CC=C1 NO22186 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.10 OCCC1=CC(Cl)=CC=C1 NO22241 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.10 OCCC1=NC(Cl)=CC=C1 DY531777 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.15 C#CC(O)C1=CC=CC=C1 DY460116 [1,1,0,0,0,0|1,0,1]=4 710 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 DY565311 [1,1,0,0,0,0|1,0,1]=4 711 B10R1.15 C=C(CBr)C1=CC=CC=C1 NO20091 [1,1,0,0,0,0|1,0,1]=4 712 B10R1.15 CC(CN)C1=CC=CC=C1 DY822021 [1,1,0,0,0,0|0,0,0]=2 713 B10R1.15 CC(NN)C1=CC=CN=C1 DY656338 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.15 CCC(O)C1=CC=CC=C1 DY580677 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.15 CCS(=O)C1=CC=CC=C1 DY746839 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.15 CC[C@H](N)C1=CC=CC=C1 DY20337 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.15 CC[C@H](N)C1=CC=NC=C1 DY623825 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 NO10909 [1,1,0,0,0,0|0,0,0]=2 720 B10R1.15 NC(CO)C1=CC=CC=C1 NO15860 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.15 NC(CO)C1=CC=CN=C1 DY654840 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.15 NC(CO)C1=NC=CC=C1 DY111155 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.15 NC(CO)C1=NC=CC=C1 DY509906 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.15 NCC(=O)C1=CC=CC=C1 NO10874 [1,1,0,0,0,0|0,0,1]=3 725 B10R1.15 NC[C@H](O)C1=CC=CC=C1 NO20485 [1,1,0,0,0,0|0,0,0]=2 726 B10R1.15 NNC(=O)C1=CC=CC=C1 NO10971 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.15 NNC(=S)C1=CC=CC=C1 DY721675 [1,1,0,0,0,0|1,0,1]=4 728 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 NO10553 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.15 N[C@H](CO)C1=CC=CC=C1 NO10555 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.15 N[C@H](CO)C1=NC=CC=C1 DY624391 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.15 O=C(CBr)C1=CC=CC=C1 NO19274 [1,1,0,0,0,0|1,0,1]=4 732 B10R1.15 OC(CBr)C1=CC=CC=C1 NO18840 [1,1,0,0,0,0|1,0,0]=3 733 B10R1.15 OC[C@@H](O)c1ccccc1 DY459384 [1,1,0,0,0,0|1,0,0]=3 734 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 DY608146 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.17 BrCCCC1=CC=CN=C1 DY604503 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.17 CCOCC1=CC=NC=C1 DY657931 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.17 CNCCC1=CC=CC=N1 DY455430 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.17 ClCCCC1=CC=CN=C1 DY656440 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY41818 [1,1,0,0,0,0|1,0,1]=4 742 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY539883 [1,1,0,0,0,0|1,0,1]=4 743 B10R1.17 N#C[Se]CC1=CC=CC=C1 DY822032 [1,1,0,0,0,0|0,0,2]=4 744 B10R1.17 NCCCC1=CC=NC=C1 DY425564 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.17 NCCCC1=NC=CC=N1 DY737570 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.17 NCCNC1=CC=NC=C1 DY657683 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.17 NCCNC1=NC=CC=C1 NO11746 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [1,1,0,0,0,0|0,0,0]=2 749 B10R1.17 NCCOC1=CC=CN=C1 NO16368 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.17 NCCOC1=NC=CN=C1 DY508970 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.17 NNCCc1ccccc1 DY527511 [1,1,0,0,0,0|0,0,0]=2 752 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [1,1,0,0,0,0|1,0,1]=4 753 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [1,1,0,0,0,0|1,0,1]=4 755 B10R1.17 OCCCC1=CC=NC=C1 NO22019 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.18 CC(C)NC1=CC=CC=C1 NO11787 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.18 CC(N)CC1=NC=CC=C1 DY652737 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.18 N=C(N)CC1=CC=CN=C1 DY610010 [1,1,0,0,0,0|1,0,1]=4 760 B10R1.18 NC(=O)NC1=CC=CC=C1 NO10533 [1,1,0,0,0,0|1,0,1]=4 761 B10R1.18 O=S([O-])CC1=CC=CC=C1 DY745429 [1,1,0,0,0,0|2,0,0]=4 762 B12R1.1 C=CCNCC1=CC=C(F)C=C1 DY611035 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.1 CC1=CC=C(CNCCO)C=C1 DY610490 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.1 COCCOC1=CC=C(N)C=C1 NO13382 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.1 FC1=CC=C(CCCCCl)C=C1 DY559677 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.1 OC1=CC=C(OCCCBr)C=C1 DY103168 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 DY542367 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 DY796587 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 DY822171 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 NO21694 [0,2,0,0,0,0|1,0,1]=4 771 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DY459216 [0,2,0,0,0,0|1,0,0]=3 772 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 NO11969 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 NO14753 [0,2,0,0,0,0|1,1,0]=4 774 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 NO19558 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 DY625183 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.16 OC(CCCl)C1=CC=C(Br)C=C1 DY745909 [0,2,0,0,0,0|1,1,0]=4 777 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 NO14964 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 DY610016 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.21 NC(=[NH2+])SCC1=CC=C(Cl)C=C1 DY745675 [0,2,0,0,0,0|0,1,1]=4 780 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 NO21832 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 DY451168 [0,2,0,0,0,0|1,1,0]=4 782 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 NO21674 [0,2,0,0,0,0|1,1,0]=4 783 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 NO19854 [0,2,0,0,0,0|1,1,0]=4 784 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 NO21107 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 DY796635 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 DY550383 [0,2,0,0,0,0|1,0,1]=4 787 B12R1.69 CC1=CC(Cl)=C(OCCBr)C=C1 DY612938 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.69 FC1=C(CCCBr)C=CC(I)=C1 DY748717 [0,2,0,0,0,0|1,1,0]=4 789 B12R1.69 FC1=CC(Cl)=C(CCCCl)C=C1 DY748741 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 NO17227 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.71 C#CC1=CC=C(CCCC)C=C1 NO11680 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.71 CCCCC1=CC=C(C=O)C=C1 DY746797 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.71 CCCCC1=CC=C(CN)C=C1 DY745627 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.71 CCNCC1=CC=C(OC)C=C1 DY578829 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.71 COC1=CC=C(OCCN)C=C1 DY557367 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.71 CSC1=CC=C(OCCN)C=C1 DY805995 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 NO21891 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.385 FC1=C(Cl)C=CC(CCCBr)=C1 DY748723 [0,2,0,0,0,0|1,1,0]=4 799 B12R1.385 FC1=C(I)C=CC(CCCCl)=C1 DY748729 [0,2,0,0,0,0|1,1,0]=4 800 B12R1.385 O=CCCC1=CC(Br)=C(F)C=C1 DY513777 [0,2,0,0,0,0|1,0,0]=3 801 B12R1.385 OCCCC1=CC(F)=C(F)C=C1 DY547239 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.19 CC1=C(F)C=CC(CC(=O)O)=C1 DY585037 [0,2,0,0,0,0|1,0,1]=4 803 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 NO18834 [0,2,0,0,0,0|1,0,1]=4 804 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 NO10724 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 DY20331 [0,2,0,0,0,0|1,0,1]=4 806 B12R1.20 O=C(C1=CC=C(F)C=C1)C(O)O DY33140 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 DY33349 [0,2,0,0,0,0|1,1,0]=4 808 B12R1.106 Fc1ccc(OC(F)(F)F)cc1 DY30346 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.106 O=S(=O)(Cl)CC1=CC=C(F)C=C1 DY429576 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.233 C[C@H](N)CC1=C(F)C=C(Br)C=C1 DY518295 [0,2,0,0,0,0|0,1,0]=3 811 B12R1.233 N=C(N)CC1=C(Cl)C=C(Cl)C=C1 DY744379 [0,2,0,0,0,0|0,1,1]=4 812 B12R1.233 NC(=S)CC1=C(Cl)C=C(F)C=C1 DY794187 [0,2,0,0,0,0|0,0,1]=3 813 B12R1.233 NC(=S)NC1=C(F)C=C(F)C=C1 DY747037 [0,2,0,0,0,0|1,0,1]=4 814 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 NO15278 [0,2,0,0,0,0|1,0,1]=4 815 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 NO20709 [0,2,0,0,0,0|1,0,1]=4 816 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 DY10349 [0,2,0,0,0,0|1,0,1]=4 817 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 NO21179 [0,2,0,0,0,0|1,0,1]=4 818 B12R1.5 COc1ccc([C@H](O)CN)cc1 DY555495 [0,2,0,0,0,0|1,0,0]=3 819 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 NO15993 [0,2,0,0,0,0|2,0,0]=4 820 B12R1.9 CCC(F)(F)C1=CC=C(F)C=C1 DY511143 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 DY609145 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 DY461310 [0,2,0,0,0,0|1,0,1]=4 823 B12R1.367 NCC(O)c1ccc(O)c(O)c1 DY557481 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 DY797643 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.367 N[C@H](CO)C1=CC(F)=C(F)C=C1 DY624373 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.367 O=C(CBr)C1=CC(F)=C(F)C=C1 NO20625 [0,2,0,0,0,0|1,0,1]=4 827 B12R1.367 O=C(CCl)c1ccc(F)c(F)c1 DY433220 [0,2,0,0,0,0|1,0,1]=4 828 B12R1.1703 CCC(=O)C1=C(Cl)C=C(F)C=C1 DY747055 [0,2,0,0,0,0|1,0,1]=4 829 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 DY623566 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 DY789855 [0,2,0,0,0,0|0,1,1]=4 831 B12R1.1703 NC[C@@H](O)c1ccc(Cl)cc1Cl DY516651 [0,2,0,0,0,0|0,1,0]=3 832 B12R1.1703 NNC(=O)C1=C(F)C=C(F)C=C1 DY584549 [0,2,0,0,0,0|1,0,1]=4 833 B12R1.1703 N[C@@H](CO)C1=NC=C(F)C=C1F DY114778 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.1703 O=C(CCl)C1=C(F)C=C(F)C=C1 NO10678 [0,2,0,0,0,0|1,0,1]=4 835 B12R1.1703 O[C@@H](CCl)C1=C(Cl)C=C(Cl)C=C1 DY459378 [0,2,0,0,0,0|1,1,0]=4 836 B12R1.1703 O[C@H](CCl)C1=C(F)C=C(F)C=C1 DY822258 [0,2,0,0,0,0|1,0,0]=3 837 B12R1.112 CCOC1=C(C=O)C=C(F)C=C1 DY448552 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.544 N#CCC1=C(Br)C(F)=C(F)C=C1 DY584996 [0,2,0,0,0,0|0,0,2]=4 839 B12R1.544 N#CCC1=C(Cl)C(F)=C(F)C=C1 DY584737 [0,2,0,0,0,0|0,0,2]=4 840 B12R1.544 N#CCC1=C(F)C(Cl)=C(F)C=C1 DY585058 [0,2,0,0,0,0|0,0,2]=4 841 B12R1.1095 CC1=CC(C)=C(CCO)C(C)=C1 NO21631 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.1095 FCOC1=C(Br)C=C(F)C=C1Br DY748813 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.1095 FCOC1=C(Cl)C=C(F)C=C1Cl DY748825 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.1095 FCOC1=C(I)C=C(F)C=C1I DY748843 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.1123 N#CCC1=C(F)C=C(F)C(Cl)=C1 DY584929 [0,2,0,0,0,0|0,0,2]=4 846 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 NO10009 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.113 CCCC1=CC=C(B(O)O)C=C1 NO10907 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.113 CCCc1ccc(C(=O)O)cc1 DY543801 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 NO22462 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.113 O=[N+]([O-])C1=CC=C(CCBr)C=C1 NO10840 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 NO10877 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.288 COC1=C(C)C=C(CCN)C=N1 DY111257 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.44 CCCC1=CC(F)=C(O)C(F)=C1 DY822093 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.44 N#CCC1=CC(Cl)=C(F)C(Cl)=C1 DY109774 [0,2,0,0,0,0|0,0,2]=4 855 B12R1.286 N#CCC1=CC(C#N)=C(F)C=C1 NO19783 [0,2,0,0,0,0|0,0,2]=4 856 B10R1.2 NCC1=C(Br)C(F)=CC=C1 DY686413 [0,0,1,1,0,0|1,0,1]=4 857 B10R1.30 NCC1=C(Br)C=CC(F)=C1 DY792813 [0,0,1,1,0,0|1,0,1]=4 858 B10R2.31 BrC1=CC=C2CCC2=C1 DY505107 [1,0,0,1,0,0|0,1,0]=3 859 B10R2.31 NC1=CC=C2CCC2=C1 DY686977 [1,0,0,1,0,0|1,0,0]=3 860 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DY20326 [1,0,0,1,0,0|1,0,0]=3 861 B10R2.7 C1=CC2=C(C=C1)CSC2 DY114506 [1,0,0,1,0,0|2,0,0]=4 862 B10R2.7 C1=CC2=C(C=C1)OCC2 NO20929 [1,0,0,1,0,0|1,0,0]=3 863 B10R2.7 C1=CC2=NCCN2C=C1 DY760292 [1,0,0,1,0,0|1,0,1]=4 864 B10R2.7 C1=CC=C2CC=CC2=C1 DY20914 [1,0,0,1,0,0|1,0,1]=4 865 B10R2.7 C1=CC=C2CNCC2=C1 NO11516 [1,0,0,1,0,0|2,0,0]=4 866 B10R2.7 C1=CC=C2NC=CC2=C1 NO11496 [1,0,0,1,0,0|0,0,2]=4 867 B10R2.7 C1=CC=C2NCCC2=C1 NO19084 [1,0,0,1,0,0|0,0,0]=2 868 B10R2.7 C1=CC=C2NN=CC2=C1 NO11488 [1,0,0,1,0,0|1,0,1]=4 869 B10R2.7 C1=CN=C2CCCC2=C1 NO14838 [1,0,0,1,0,0|2,0,0]=4 870 B10R2.7 C1=CN=C2CCNC2=C1 DY107728 [1,0,0,1,0,0|1,0,0]=3 871 B10R2.7 C1=NC=C2NCCC2=C1 DY570663 [1,0,0,1,0,0|1,0,0]=3 872 B10R2.320 BrC1CC2=CC=CC=C21 DY539943 [1,0,0,1,0,0|1,0,0]=3 873 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 NO10787 [0,1,0,1,0,0|1,1,0]=4 874 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 NO15185 [0,1,0,1,0,0|1,1,0]=4 875 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 NO15468 [0,1,0,1,0,0|0,1,0]=3 876 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 NO10776 [0,1,0,1,0,0|1,1,0]=4 877 B12R2.24 BrC1=CC=C2CCC=CC2=C1 DY763124 [0,1,0,1,0,0|1,1,0]=4 878 B12R2.24 BrC1=CC=C2CCCCC2=C1 NO16753 [0,1,0,1,0,0|1,1,0]=4 879 B12R2.24 BrC1=CC=C2CCCNC2=C1 DY784852 [0,1,0,1,0,0|0,1,0]=3 880 B12R2.24 BrC1=CC=C2CCCNC2=C1 NO18621 [0,1,0,1,0,0|0,1,0]=3 881 B12R2.24 BrC1=CC=C2CCNCC2=C1 NO19606 [0,1,0,1,0,0|0,1,0]=3 882 B12R2.24 BrC1=CC=C2CCOCC2=C1 NO16547 [0,1,0,1,0,0|1,1,0]=4 883 B12R2.24 BrC1=CC=C2CNCCC2=C1 NO10618 [0,1,0,1,0,0|1,1,0]=4 884 B12R2.24 BrC1=CC=C2CNCCC2=C1 NO17620 [0,1,0,1,0,0|1,1,0]=4 885 B12R2.24 BrC1=CC=C2COCCC2=C1 DY441107 [0,1,0,1,0,0|1,1,0]=4 886 B12R2.24 BrC1=CC=C2NCCCC2=C1 NO19737 [0,1,0,1,0,0|1,1,0]=4 887 B12R2.24 BrC1=CC=C2OCCCC2=C1 NO19916 [0,1,0,1,0,0|1,1,0]=4 888 B12R2.24 CC1=CC=C2CCCCC2=C1 NO10746 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.24 CC1=CC=C2CCNCC2=C1 DY553959 [0,1,0,1,0,0|1,0,0]=3 890 B12R2.24 CC1=CC=C2CCNCC2=C1 NO18155 [0,1,0,1,0,0|1,0,0]=3 891 B12R2.24 CC1=CC=C2CNCCC2=C1 DY431469 [0,1,0,1,0,0|2,0,0]=4 892 B12R2.24 CC1=NC2=C(C=C1)OCCN2 DY679869 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 DY674829 [0,1,0,1,0,0|1,1,0]=4 894 B12R2.24 ClC1=CC2=C(N=C1)SCCN2 DY680571 [0,1,0,1,0,0|1,1,0]=4 895 B12R2.24 ClC1=CC=C2CNCCC2=C1 DY549387 [0,1,0,1,0,0|1,1,0]=4 896 B12R2.24 ClC1=CC=C2NCCCC2=C1 NO14585 [0,1,0,1,0,0|1,1,0]=4 897 B12R2.24 ClC1=CC=C2NCCNC2=C1 DY744199 [0,1,0,1,0,0|0,1,0]=3 898 B12R2.24 ClC1=NC2=C(C=C1)NCCN2 NO12186 [0,1,0,1,0,0|1,1,0]=4 899 B12R2.24 FC1=CC=C2CNCCC2=C1 DY572409 [0,1,0,1,0,0|1,0,0]=3 900 B12R2.24 FC1=CC=C2OCCCC2=C1 DY584315 [0,1,0,1,0,0|1,0,0]=3 901 B12R2.24 IC1=CC=C2CCCNC2=C1 DY450838 [0,1,0,1,0,0|0,1,0]=3 902 B12R2.24 NC1=CC2=C(C=C1)CCCC2 DY541887 [0,1,0,1,0,0|2,0,0]=4 903 B12R2.24 NC1=CC2=C(CCNC2)N=C1 DY582183 [0,1,0,1,0,0|2,0,0]=4 904 B12R2.24 NC1=CC=C2CCCNC2=C1 DY526875 [0,1,0,1,0,0|1,0,0]=3 905 B12R2.24 OC1=CC2=C(C=C1)CCCC2 NO13514 [0,1,0,1,0,0|2,0,0]=4 906 B12R2.24 OC1=CC2=C(C=C1)NCCO2 DY442455 [0,1,0,1,0,0|2,0,0]=4 907 B12R2.24 OC1=CC=C2CCCNC2=C1 NO10898 [0,1,0,1,0,0|1,0,0]=3 908 B12R2.24 OC1=CC=C2CCNCC2=C1 NO17696 [0,1,0,1,0,0|1,0,0]=3 909 B12R2.24 OC1=CC=C2CNCCC2=C1 NO18391 [0,1,0,1,0,0|2,0,0]=4 910 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 DY744103 [0,1,0,1,0,0|0,1,0]=3 911 B12R2.132 CN1C=NC2=C1C=C(F)C=C2 DY750061 [0,1,0,1,0,0|1,0,1]=4 912 B12R2.132 CN1N=CC2=CC=C(F)C=C21 NO12396 [0,1,0,1,0,0|1,0,1]=4 913 B12R2.132 NC1CCC2=CC=C(Br)C=C21 DY579057 [0,1,0,1,0,0|0,1,0]=3 914 B12R2.132 NC1CCC2=CC=C(F)C=C21 DY530697 [0,1,0,1,0,0|0,0,0]=2 915 B12R2.132 NC1COC2=C1C=C(Br)C=C2 DY577467 [0,1,0,1,0,0|0,1,0]=3 916 B12R2.132 NC1COC2=C1C=C(F)C=C2 DY431482 [0,1,0,1,0,0|0,0,0]=2 917 B12R2.132 N[C@@H]1CCC2=CC=C(O)C=C21 DY104168 [0,1,0,1,0,0|1,0,0]=3 918 B12R2.132 N[C@@H]1COC2=C1C=C(Br)C=C2 DY625417 [0,1,0,1,0,0|0,1,0]=3 919 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 NO13722 [0,1,0,1,0,0|1,1,0]=4 920 B12R2.132 O=C1CCC2=CC=C(I)C=C12 NO19840 [0,1,0,1,0,0|1,1,0]=4 921 B12R2.132 O=C1CCC2=CC=C(O)C=C12 NO15371 [0,1,0,1,0,0|2,0,0]=4 922 B12R2.132 OC1CCC2=CC=C(F)C=C21 DY447461 [0,1,0,1,0,0|1,0,0]=3 923 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 DY568893 [0,1,0,1,0,0|0,1,0]=3 924 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 DY603700 [0,1,0,1,0,0|0,0,0]=2 925 B12R2.2302 NC1=CC=C(N2CCC2)C=C1 DY719758 [0,1,0,1,0,0|2,0,0]=4 926 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 NO10744 [0,1,0,1,0,0|1,0,1]=4 927 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 NO21571 [0,1,0,1,0,0|1,0,1]=4 928 B12R2.606 NC1=NC2=C(C=C(F)C=C2)O1 DY510765 [0,1,0,1,0,0|1,0,1]=4 929 B12R2.606 NC1=NC2=C(C=C(F)C=C2)S1 NO21825 [0,1,0,1,0,0|1,0,1]=4 930 B12R2.606 NC1=NC2=C(C=CC(F)=C2)N1 DY750019 [0,1,0,1,0,0|1,0,1]=4 931 B12R2.606 NC1=NC2=C(C=CC(F)=C2)S1 DY31078 [0,1,0,1,0,0|1,0,1]=4 932 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 DY447233 [0,1,0,1,0,0|0,1,0]=3 933 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 NO18236 [0,1,0,1,0,0|0,1,0]=3 934 B12R2.606 NC1CC2=CC=C(I)C=C2C1 DY21023 [0,1,0,1,0,0|0,1,0]=3 935 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 NO20688 [0,1,0,1,0,0|0,1,1]=4 936 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 NO22102 [0,1,0,1,0,0|0,1,1]=4 937 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 NO22112 [0,1,0,1,0,0|0,0,1]=3 938 B12R2.606 OC1CC2=CC=C(Br)C=C2C1 NO12609 [0,1,0,1,0,0|1,1,0]=4 939 B12R2.612 CN1CCC2=CC(F)=CC=C21 DY630394 [0,1,0,1,0,0|2,0,0]=4 940 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 NO16081 [0,1,0,1,0,0|1,1,0]=4 941 B12R2.612 FC1=CC=C2C(=C1)NN=C2Br NO13210 [0,1,0,1,0,0|1,0,1]=4 942 B12R2.612 NC1CCC2=CC(F)=CC=C21 DY431475 [0,1,0,1,0,0|1,0,0]=3 943 B12R2.612 N[C@@H]1CCC2=CC(Cl)=CC=C21 DY572883 [0,1,0,1,0,0|1,1,0]=4 944 B12R2.612 N[C@@H]1COC2=C1C=CC(Br)=C2 DY625465 [0,1,0,1,0,0|1,1,0]=4 945 B12R2.612 O=C1CCC2=CC(F)=CC=C12 DY10164 [0,1,0,1,0,0|1,0,1]=4 946 B12R2.612 O=C1NNC2=CC(F)=CC=C12 NO10702 [0,1,0,1,0,0|1,0,1]=4 947 B12R2.612 OC1COC2=C1C=CC(Br)=C2 DY586466 [0,1,0,1,0,0|1,1,0]=4 948 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 DY586465 [0,1,0,1,0,0|1,1,0]=4 949 B12R2.246 CC1=C2C=NNC2=CC(F)=C1 DY761384 [0,1,0,1,0,0|1,0,1]=4 950 B12R2.246 ClC1=CC(Cl)=C2CCNC2=N1 DY675613 [0,1,0,1,0,0|1,1,0]=4 951 B12R2.246 FC1=CC(Br)=C2C=CNC2=C1 NO16762 [0,1,0,1,0,0|0,0,2]=4 952 B12R2.246 FC1=CC(Br)=C2C=NNC2=C1 DY429570 [0,1,0,1,0,0|1,0,1]=4 953 B12R2.246 FC1=CC(F)=C2C=CNC2=C1 DY20399 [0,1,0,1,0,0|0,0,2]=4 954 B12R2.246 FC1=CC(I)=C2C=NNC2=C1 DY762650 [0,1,0,1,0,0|1,0,1]=4 955 B12R2.246 OC1=CC(Br)=CC2=C1CCC2 DY532533 [0,1,0,1,0,0|1,1,0]=4 956 B12R2.246 OC1=CC(F)=CC2=C1C=NN2 DY762626 [0,1,0,1,0,0|1,0,1]=4 957 B12R2.9 N#CC1=CC=C(C2CO2)C=C1 DY774177 [0,1,0,1,0,0|2,0,0]=4 958 B12R2.9 OCC1=CC=C(C2CC2)C=C1 DY758305 [0,1,0,1,0,0|2,0,0]=4 959 B12R2.44 C#CC1=CC=C2CCCC2=C1 DY517785 [0,1,0,1,0,0|2,0,0]=4 960 B12R2.44 COC1=CC=C2CCNC2=C1 DY20447 [0,1,0,1,0,0|1,0,0]=3 961 B12R2.44 O=CC1=CC=C2CCCC2=C1 DY547221 [0,1,0,1,0,0|2,0,0]=4 962 B12R2.100 CC1=C(Cl)C=C2CCNC2=C1 DY630376 [0,1,0,1,0,0|1,0,0]=3 963 B12R2.100 CC1=C(F)C=C2NC=CC2=C1 DY528891 [0,1,0,1,0,0|0,0,2]=4 964 B12R2.100 FC1=C(Br)C=C2C=NNC2=C1 DY448240 [0,1,0,1,0,0|1,0,1]=4 965 B12R2.100 FC1=C(Cl)C=C2C=CNC2=C1 NO10341 [0,1,0,1,0,0|0,0,2]=4 966 B12R2.100 FC1=C(F)C=C2NC=CC2=C1 NO22020 [0,1,0,1,0,0|0,0,2]=4 967 B12R2.100 FC1=C(F)C=C2NCCC2=C1 NO12554 [0,1,0,1,0,0|0,0,0]=2 968 B8R1.1 CCC1=CC(C)=CS1 DY447443 [1,0,0,0,1,0|2,0,0]=4 969 B8R1.1 NCC1=CC=C(Br)O1 DY432586 [1,0,0,0,1,0|1,1,0]=4 970 B8R1.1 NCC1=CC=C(Br)O1 DY759704 [1,0,0,0,1,0|1,1,0]=4 971 B8R1.8 NCCC1=CC=CN1 DY717219 [1,0,0,0,1,0|1,0,0]=3 972 B8R1.8 NCCC1=CN=CS1 DY785962 [1,0,0,0,1,0|2,0,0]=4 973 B8R1.8 NCCC1=CNC=N1 DY557493 [1,0,0,0,1,0|2,0,0]=4 974 B8R1.8 NCCC1=CNC=N1 NO18264 [1,0,0,0,1,0|2,0,0]=4 975 B8R1.8 NCCC1=CSC=C1 NO22098 [1,0,0,0,1,0|1,0,0]=3 976 B8R1.8 NCCC1=NC=CN1 DY725263 [1,0,0,0,1,0|2,0,0]=4 977 B8R1.8 NCCN1C=CC=N1 DY501807 [1,0,0,0,1,0|2,0,0]=4 978 B8R1.8 NNCC1=CC=CS1 DY607641 [1,0,0,0,1,0|2,0,0]=4 979 B8R1.8 OCCC1=CC=CS1 NO14939 [1,0,0,0,1,0|2,0,0]=4 980 B8R1.8 OCCC1=CSC=C1 NO20858 [1,0,0,0,1,0|2,0,0]=4