0 B9R1.2 BrCC1=CC=CC(Br)=C1 NO19344 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.2 C=CC1=CN=CC(Br)=C1 DY712159 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.2 CC1=CC(CCl)=NC=C1 NO15442 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.2 CC1=CC(CN)=CC=C1 NO19644 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.2 CC1=CC(CO)=NC=C1 NO11126 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.2 CC1=CC(NN)=CC=C1 NO19574 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.2 CC1=CC=CC(C#N)=C1 NO19778 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.2 CC1=CC=CC(C#N)=N1 NO15464 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.2 CC1=CC=CC(C=O)=C1 DY41127 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.2 CC1=CC=CC(CCl)=N1 DY547749 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.2 CC1=CC=CC(CN)=N1 NO18414 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.2 CC1=CC=CC(CO)=N1 DY20920 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.2 CC1=CN=CC(C#N)=N1 NO17295 [0,0,0,0,0,0|1,0,1]=2 13 B9R1.2 CC1=CN=CC(CCl)=C1 NO14445 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.2 CC1=CN=CC(CCl)=N1 NO17402 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.2 CC1=CN=CC(CO)=C1 DY452566 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.2 CC1=CN=CC(CO)=N1 NO15787 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.2 CC1=NC(CN)=NC=C1 DY580845 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.2 CC1=NC(CN)=NC=C1 DY611424 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.2 CC1=NC=CC(C=O)=N1 NO19715 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.2 CCC1=CC(C)=CN=C1 DY657240 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.2 CCC1=CC=CC(Br)=N1 NO15322 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.2 CCC1=CC=CC(Cl)=C1 DY584271 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.2 CCC1=CN=CC(Br)=C1 NO11907 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.2 CCC1=CN=CC(Cl)=N1 DY447143 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.2 CCC1=NC=CC(Br)=C1 DY658183 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.2 CNC1=CC(Br)=CC=C1 NO22185 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.2 CNC1=CC(Cl)=CC=C1 DY20486 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.2 CNC1=CC(I)=CC=C1 DY563655 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.2 CNC1=CC(N)=CC=C1 NO16640 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.2 CNC1=CC=CC(O)=C1 DY442233 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.2 CNC1=NC(Cl)=CN=C1 NO10695 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.2 CNC1=NC=CC(Br)=N1 NO14470 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.2 COC1=CC(C)=CN=C1 DY451846 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.2 COC1=CC=CC(Br)=N1 NO14301 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.2 COC1=CC=CC(Cl)=C1 NO19894 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.2 COC1=CC=CC(Cl)=N1 NO13826 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.2 COC1=CC=CC(F)=C1 NO19929 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.2 COC1=CC=CC(F)=N1 NO13652 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.2 COC1=CC=CC(I)=N1 NO18075 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.2 COC1=CC=CC(N)=C1 NO19943 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.2 COC1=CC=CC(N)=N1 NO13845 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.2 COC1=CC=CC(O)=C1 NO18747 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.2 COC1=CN=CC(Br)=N1 DY431625 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.2 COC1=CN=CC(Cl)=N1 NO21483 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.2 COC1=CN=CC(N)=C1 NO19973 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.2 COC1=CN=CC(N)=N1 NO12541 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.2 COC1=CN=CC(O)=C1 NO17819 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.2 COC1=CN=NC(Cl)=C1 NO22227 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.2 COC1=NC(Br)=NC=C1 NO12506 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.2 COC1=NC(C)=CC=C1 NO15396 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.2 COC1=NC(C)=CN=C1 DY710569 [0,0,0,0,0,0|1,0,0]=1 52 B9R1.2 COC1=NC(C)=NC=C1 NO11919 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.2 COC1=NC(Cl)=NC=C1 NO21447 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.2 COC1=NC(I)=NC=C1 NO11917 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.2 COC1=NC=CC(C)=C1 NO21637 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.2 COC1=NC=CC(N)=N1 NO10114 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.2 CSC1=CC(N)=CC=C1 DY20570 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.2 CSC1=CN=CC(Br)=C1 DY452608 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.2 CSC1=NC(Cl)=NC=C1 NO19934 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.2 CSC1=NC=CC(Br)=N1 DY425588 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.2 CSC1=NC=CC(Cl)=N1 NO18332 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.2 CSC1=NC=CC(N)=N1 NO20913 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.2 CSC1=NC=CC(O)=N1 NO12612 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.2 ClC1=CC=CC(CBr)=C1 NO22235 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.2 ClCC1=CC(Br)=CC=C1 DY40579 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.2 ClCc1cccc(I)c1 DY585080 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.2 FC1=CC=CC(CBr)=N1 DY500445 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.2 FC1=CC=CC(CCl)=C1 NO19068 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.2 N#CC1=CN=CC(Br)=C1 NO18667 [0,0,0,0,0,0|3,0,1]=4 70 B9R1.2 N#CC1=CN=CC(O)=C1 NO18755 [0,0,0,0,0,0|3,0,1]=4 71 B9R1.2 N#CC1=NC(Br)=CN=C1 NO12208 [0,0,0,0,0,0|2,0,1]=3 72 B9R1.2 N#CC1=NC(Cl)=CC=C1 NO14156 [0,0,0,0,0,0|3,0,1]=4 73 B9R1.2 N#CC1=NC(Cl)=CN=C1 NO19986 [0,0,0,0,0,0|2,0,1]=3 74 B9R1.2 N#CC1=NC(F)=CC=C1 NO21512 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.2 N#CC1=NC(F)=CN=C1 DY430096 [0,0,0,0,0,0|2,0,1]=3 76 B9R1.2 N#CC1=NC(N)=CN=C1 NO12200 [0,0,0,0,0,0|2,0,1]=3 77 B9R1.2 NC1=CC(C=O)=CN=C1 DY659426 [0,0,0,0,0,0|3,0,1]=4 78 B9R1.2 NC1=CC(CBr)=CN=C1 DY659222 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.2 NC1=CC=CC(CO)=C1 NO18821 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.2 NC1=CC=CC(CO)=N1 NO16612 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.2 NC1=CN=CC(CO)=C1 NO22079 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.2 NC1=NC=CC(CF)=N1 DY430731 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.2 NCC1=CC(Br)=CC=C1 NO19652 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.2 NCC1=CC(Cl)=CC=C1 DY33134 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.2 NCC1=CC(I)=CC=C1 DY584527 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.2 NCC1=CC(I)=CC=C1 NO22330 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.2 NCC1=CC=CC(=O)N1 DY582837 [0,0,0,0,0,0|3,0,1]=4 88 B9R1.2 NCC1=CC=CC(O)=C1 DY745447 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.2 NCC1=NC(Br)=CC=C1 NO10635 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.2 NCC1=NC(Cl)=CC=C1 DY527445 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.2 NCC1=NC(Cl)=CN=C1 DY106438 [0,0,0,0,0,0|2,0,0]=2 92 B9R1.2 NCC1=NC(F)=CC=C1 NO13193 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.2 NNC1=CC=CC(Br)=N1 DY545589 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.2 NNC1=CC=CC(Cl)=N1 NO21479 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.2 O=CC1=CN=CC(Br)=C1 DY20791 [0,0,0,0,0,0|3,0,1]=4 96 B9R1.2 O=CC1=CN=CC(F)=C1 NO19040 [0,0,0,0,0,0|3,0,1]=4 97 B9R1.2 O=CC1=CN=CC(O)=C1 NO15599 [0,0,0,0,0,0|3,0,1]=4 98 B9R1.2 O=CC1=NC(Br)=CC=C1 NO22094 [0,0,0,0,0,0|3,0,1]=4 99 B9R1.2 O=CC1=NC(Cl)=CC=C1 NO19944 [0,0,0,0,0,0|3,0,1]=4 100 B9R1.2 O=CC1=NC(F)=CC=C1 NO13928 [0,0,0,0,0,0|3,0,1]=4 101 B9R1.2 OCC1=CC(Br)=CN=C1 NO18272 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.2 OCC1=CC(F)=CC=C1 NO19069 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.2 OCC1=CC(F)=CN=C1 DY430713 [0,0,0,0,0,0|3,0,0]=3 104 B9R1.2 OCC1=NC(Br)=CC=C1 NO23004 [0,0,0,0,0,0|3,0,0]=3 105 B9R1.2 OCC1=NC(Cl)=CC=C1 NO10667 [0,0,0,0,0,0|3,0,0]=3 106 B9R1.2 OCC1=NC(Cl)=CC=C1 NO19907 [0,0,0,0,0,0|3,0,0]=3 107 B9R1.2 OCC1=NC(Cl)=CN=C1 NO16124 [0,0,0,0,0,0|2,0,0]=2 108 B9R1.2 OCC1=NC(Cl)=NC=C1 DY550299 [0,0,0,0,0,0|4,0,0]=4 109 B8R1.2 BrCC1=CC=CN=N1 NO15758 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 BrCC1=CN=CN=C1 NO17938 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.2 BrCC1=NC=CN=C1 DY710893 [1,0,0,0,0,0|1,0,0]=2 112 B8R1.2 C#CC1=NC=CC=C1 NO21539 [1,0,0,0,0,0|1,0,2]=4 113 B8R1.2 C=CC1=CC=CN=C1 DY507011 [1,0,0,0,0,0|1,0,2]=4 114 B8R1.2 CCC1=CC=CN=C1 NO22277 [1,0,0,0,0,0|1,0,0]=2 115 B8R1.2 CCC1=NC=CN=C1 NO21534 [1,0,0,0,0,0|0,0,0]=1 116 B8R1.2 CNC1=CC=CC=C1 NO11792 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.2 CNC1=CC=CN=C1 NO13856 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.2 CNC1=CN=CN=C1 DY553401 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 COC1=CC=CN=C1 NO22348 [1,0,0,0,0,0|2,0,0]=3 120 B8R1.2 COC1=CC=CN=N1 NO22347 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.2 COC1=NC=CC=C1 NO18780 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.2 COC1=NC=CN=C1 NO17887 [1,0,0,0,0,0|1,0,0]=2 123 B8R1.2 CSC1=NC=CC=N1 DY573207 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.2 CSC1=NC=CN=C1 DY541389 [1,0,0,0,0,0|1,0,0]=2 125 B8R1.2 ClCC1=CC=CN=C1 NO19291 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.2 ClCC1=CC=CN=N1 NO16004 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 ClCC1=NC=CC=C1 NO19289 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.2 ClCC1=NC=CC=N1 NO20902 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.2 ICC1=CC=CC=C1 NO11000 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.2 N#CC1=CN=CC=C1 NO22263 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.2 N#CC1=NC=CC=C1 NO19642 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.2 N#CC1=NC=CN=C1 NO17380 [1,0,0,0,0,0|1,0,1]=3 133 B8R1.2 NCC1=CC=CN=C1 NO14226 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.2 NCC1=CN=NC=C1 NO15014 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.2 NCC1=CN=NC=C1 NO15515 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.2 NCC1=NC=CC=C1 DY663911 [1,0,0,0,0,0|2,0,0]=3 137 B8R1.2 NCC1=NC=CC=N1 NO21304 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.2 NCC1=NC=CN=C1 DY710323 [1,0,0,0,0,0|1,0,0]=2 139 B8R1.2 NCC1=NC=CN=C1 NO19691 [1,0,0,0,0,0|1,0,0]=2 140 B8R1.2 NCC1=NC=CN=C1 NO20245 [1,0,0,0,0,0|1,0,0]=2 141 B8R1.2 NNC1=CC=CN=C1 NO15491 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.2 NNC1=CC=CN=C1 NO22308 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.2 NNC1=NC=CC=C1 NO15589 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.2 NNC1=NC=CC=C1 NO21573 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.2 O=CC1=CN=CC=C1 NO19090 [1,0,0,0,0,0|2,0,1]=4 146 B8R1.2 O=CC1=NC=CC=C1 NO18610 [1,0,0,0,0,0|2,0,1]=4 147 B8R1.2 O=CC1=NC=CN=C1 NO18375 [1,0,0,0,0,0|1,0,1]=3 148 B8R1.2 OCC1=CC=CN=C1 NO22409 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.2 OCC1=CC=CN=N1 NO21870 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.2 OCC1=CN=CN=C1 DY444370 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.2 OCC1=NC=CC=C1 NO19164 [1,0,0,0,0,0|2,0,0]=3 152 B8R1.2 OCC1=NC=CC=N1 NO19924 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.2 OCC1=NC=CN=C1 NO21749 [1,0,0,0,0,0|1,0,0]=2 154 B8R1.2 OCC1=NC=NC=C1 NO11915 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.4 BrC1=CC(I)=CN=C1 NO13981 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.4 BrC1=CC=CC(Br)=N1 NO21793 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.4 BrC1=CN=CC(Br)=C1 NO21896 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.4 BrC1=CN=CC(Br)=N1 NO12199 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.4 CC1=CC(=O)NN=C1 NO10446 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.4 CC1=CC=CC(Br)=C1 NO19957 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.4 CC1=CC=CC(Br)=N1 NO21841 [1,0,0,0,0,0|2,0,0]=3 162 B8R1.4 CC1=CC=CC(C)=N1 NO18597 [1,0,0,0,0,0|1,0,0]=2 163 B8R1.4 CC1=CC=CC(Cl)=N1 NO23010 [1,0,0,0,0,0|2,0,0]=3 164 B8R1.4 CC1=CC=CC(F)=C1 NO19910 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.4 CC1=CC=CC(F)=N1 NO19330 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.4 CC1=CC=CC(I)=C1 NO19968 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.4 CC1=CC=CC(N)=C1 NO11698 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.4 CC1=CC=CC(N)=N1 NO18078 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.4 CC1=CN=CC(C)=C1 DY714404 [1,0,0,0,0,0|1,0,0]=2 170 B8R1.4 CC1=CN=CC(Cl)=C1 NO13884 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.4 CC1=CN=CC(Cl)=N1 NO21486 [1,0,0,0,0,0|1,0,0]=2 172 B8R1.4 CC1=CN=CC(F)=C1 NO19335 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.4 CC1=CN=CC(N)=C1 NO14172 [1,0,0,0,0,0|2,0,0]=3 174 B8R1.4 CC1=CN=CC(O)=C1 NO14332 [1,0,0,0,0,0|2,0,0]=3 175 B8R1.4 CC1=CN=CC(O)=N1 NO21596 [1,0,0,0,0,0|1,0,0]=2 176 B8R1.4 CC1=NC(Br)=NC=C1 NO17649 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.4 CC1=NC(Cl)=NC=C1 NO13591 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.4 CC1=NC(O)=NC=C1 NO21586 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.4 CC1=NC=CC(Cl)=N1 DY694223 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.4 CC1=NC=CC(Cl)=N1 NO22751 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.4 CC1=NC=CC(N)=N1 DY693586 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.4 CC1=NC=CC(N)=N1 NO13322 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.4 CC1=NC=CC(O)=N1 NO15583 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.4 ClC1=CC=CC(Br)=N1 NO14668 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.4 ClC1=CC=CC(Cl)=N1 NO18899 [1,0,0,0,0,0|3,0,0]=4 186 B8R1.4 ClC1=CN=CC(Br)=C1 NO15808 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.4 ClC1=CN=CC(Cl)=C1 NO14008 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.4 ClC1=CN=CC(Cl)=N1 NO22559 [1,0,0,0,0,0|2,0,0]=3 189 B8R1.4 FC1=CC(Br)=CN=C1 NO22034 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.4 FC1=CC(I)=CN=C1 NO18467 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.4 FC1=CC=CC(Br)=N1 NO13708 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.4 FC1=CC=CC(Cl)=N1 NO18859 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.4 FC1=CC=CC(F)=N1 NO18752 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.4 FC1=CN=CC(Cl)=C1 NO19936 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.4 FC1=CN=CC(F)=C1 NO13374 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.4 IC1=CC=CC(I)=N1 NO18354 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.4 NC1=CC(Br)=CN=C1 NO22730 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.4 NC1=CC(Cl)=CN=C1 DY31090 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.4 NC1=CC(F)=CN=C1 NO13934 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.4 NC1=CC=CC(N)=N1 NO13686 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.4 NC1=CN=CC(N)=C1 NO21958 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.4 NC1=CN=CC(N)=N1 NO15121 [1,0,0,0,0,0|2,0,0]=3 203 B8R1.4 NC1=CN=CC(O)=C1 NO12372 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.4 NC1=CN=CC(O)=C1 NO22080 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.4 NC1=NC(Br)=CC=C1 NO17641 [1,0,0,0,0,0|3,0,0]=4 206 B8R1.4 NC1=NC(Cl)=CC=C1 NO17675 [1,0,0,0,0,0|3,0,0]=4 207 B8R1.4 NC1=NC(Cl)=CN=C1 DY20457 [1,0,0,0,0,0|2,0,0]=3 208 B8R1.4 NC1=NC(F)=CC=C1 NO17727 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.4 OC1=CC(F)=CN=C1 NO13932 [1,0,0,0,0,0|3,0,0]=4 210 B8R1.4 OC1=CN=CC(O)=C1 NO21992 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.4 OC1=NC(Br)=CC=C1 NO14076 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.4 OC1=NC(Cl)=CN=C1 NO12934 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.2 CC1=CC=CC(CBr)=C1Br DY584774 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.2 CC1=CC=CC(CBr)=C1C NO10894 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.2 CC1=CC=CC(CN)=C1Cl DY584892 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.2 CC1=CC=CC(CN)=C1F DY585032 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.2 CC1=CC=CC(CO)=C1C NO20113 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.2 CC1=CC=CC(CO)=C1F DY451600 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.2 CCC1=C(O)C(C)=CC=C1 DY584282 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.2 COC1=C(Br)C(C)=CC=C1 DY584924 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.2 COC1=C(C)C(C)=CC=C1 DY20206 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.2 COC1=C(Cl)C(C)=CC=C1 DY822113 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.2 COC1=CN=CC(N)=C1Br DY713125 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.2 OCC1=CN=CC(Br)=C1Cl DY449554 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.8 CC1=CC(C)=CC(CBr)=C1 NO18923 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.8 CC1=CC(C)=NC(CCl)=N1 NO14603 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.8 CC1=CC(CBr)=CC(Br)=C1 DY584778 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.8 CC1=CC(CCl)=NC(C)=C1 NO17890 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.8 CC1=CC(CO)=CC(Cl)=C1 DY451882 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.8 CC1=CC(CO)=CC(I)=C1 DY747043 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.8 CC1=CC(Cl)=CC(C#N)=N1 DY106143 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.8 CC1=CC(N)=CC(C#N)=N1 DY658129 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.8 CC1=CC(NN)=NC(C)=C1 DY655831 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.8 CCC1=CC(Cl)=NC(Cl)=N1 DY692644 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 NO22775 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.8 CCC1=CC(F)=CC(F)=C1 NO20675 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.8 CCC1=CC(N)=CC(Br)=C1 NO12529 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.8 CCC1=NC(=O)C=C(O)N1 NO22424 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.8 CCC1=NC(Cl)=CC(Cl)=N1 NO17845 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.8 CCC1=NC(Cl)=CC(N)=N1 NO19692 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.8 CCC1=NC(Cl)=NC(C)=C1 DY693334 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.8 CNC1=CC(=O)NC(C)=N1 DY693580 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.8 COC1=CC(Br)=CC(Cl)=N1 NO17141 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.8 COC1=CC(Br)=CC(F)=N1 DY714260 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.8 COC1=CC(C)=CC(Br)=C1 NO20982 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.8 COC1=CC(C)=CC(N)=C1 NO13172 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.8 COC1=CC(Cl)=CC(N)=N1 NO17883 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.8 COC1=CC(Cl)=NC(C)=N1 NO12795 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.8 COC1=NC(C)=CC(Br)=C1 DY711373 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.8 COC1=NC(C)=CC(Cl)=C1 DY658371 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.8 ClCC1=CC(Cl)=CC(Br)=N1 DY655113 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.8 NCC1=NC(Cl)=CC(Br)=C1 DY431845 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.10 CC#CC1=CC=CC(C)=C1 DY788763 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.10 CC1=CC(CC#N)=CC=C1 NO18941 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.10 CC1=CC(CCN)=NC=C1 DY713209 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.10 CC1=CC=CC(CNN)=C1 DY514611 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.10 CC1=CC=CC(N=[N+]=[N-])=N1 DY792987 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.10 CCCC1=CN=CC(O)=C1 DY660255 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.10 CCOC1=CC=CC(Cl)=N1 DY655578 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.10 CCSC1=NC(Cl)=NC=C1 DY514233 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.10 CNCC1=CC(Cl)=CC=C1 DY456640 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.10 CNCC1=CC=CC(N)=C1 DY789483 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.10 COCC1=NC(Cl)=NC=C1 DY516411 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.10 Clc1cccc(CCBr)c1 DY584685 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.10 NC1=CC=CC(CCO)=C1 NO22105 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.10 NC1=CC=CC(CCO)=N1 DY608453 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.10 NCCC1=CC(Br)=CC=C1 NO15159 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.10 NCCC1=NC(Cl)=CC=C1 DY654324 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.10 NCCc1cccc(O)c1 DY552393 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.10 OCCC1=CC(Br)=CC=C1 NO22186 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.10 OCCC1=CC(Cl)=CC=C1 NO22241 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.10 OCCC1=NC(Cl)=CC=C1 DY531777 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.30 C#CC1=NC(Br)=CN=C1N NO12180 [0,1,0,0,0,0|1,0,2]=4 275 B10R1.30 CC1=CC(C=O)=C(N)N=C1 NO14267 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.30 CC1=CC(CBr)=C(C)C=C1 DY584839 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.30 CC1=CC(CCl)=C(Cl)N=N1 DY736544 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.30 CC1=CC(CN)=C(C)C=C1 DY20405 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.30 CC1=CC(CO)=C(F)C=C1 DY450466 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.30 CC1=CC=C(Br)C(C=O)=N1 DY504693 [0,1,0,0,0,0|2,0,1]=4 281 B10R1.30 CC1=CN=C(Cl)C(CCl)=C1 DY655318 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.30 CC1=NC=C(Br)C=C1CN DY656602 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.30 CC1=NC=C(Br)C=C1CO DY518829 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.30 CCC1=NC(C)=CC=C1O NO13984 [0,1,0,0,0,0|1,0,0]=2 285 B10R1.30 CCC1=NC(C)=CN=C1C DY710767 [0,1,0,0,0,0|0,0,0]=1 286 B10R1.30 CCC1=NC(Cl)=NC=C1C DY606669 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.30 COC1=C(Br)C=CC(C)=C1 DY20209 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.30 COC1=C(Br)C=CC(N)=N1 DY429703 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.30 COC1=C(Br)N=CC(N)=C1 NO12409 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.30 COC1=C(Cl)C=CC(C)=C1 DY456622 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.30 COC1=C(O)C=CC(C)=C1 NO16322 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.30 COC1=CC(Br)=CN=C1Cl NO10254 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.30 COC1=CC(Br)=CN=C1N NO14023 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.30 COC1=CC(C)=CN=C1O DY657387 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.30 COC1=NC(Br)=CC=C1Br DY533289 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.30 COC1=NC(Br)=CC=C1N NO18540 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.30 COC1=NC(Br)=CN=C1I NO16000 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.30 COC1=NC(Br)=CN=C1N NO12445 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.30 COC1=NC(Br)=CNC1=O DY578181 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.30 COC1=NC(C)=CC=C1Br NO19284 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.30 COC1=NC(Cl)=CC=C1Br NO16211 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.30 COC1=NC(Cl)=CC=C1N NO10669 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.30 COC1=NC(Cl)=CN=C1N NO12869 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.30 COC1=NC(F)=CC=C1Br DY429643 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.30 CSC1=CC(F)=CN=C1Br DY715124 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.30 FC1=CC=C(Br)N=C1CBr DY509870 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.30 FC1=NC=C(Cl)C=C1CBr DY452554 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.30 N#CC1=NC(Br)=CN=C1N NO18047 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.30 N#CC1=NC(Cl)=CN=C1Cl NO16841 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.30 N#CC1=NC(Cl)=CN=C1N NO12855 [0,1,0,0,0,0|2,0,1]=4 311 B10R1.30 N#CC1=NC(I)=CN=C1Br DY710101 [0,1,0,0,0,0|2,0,1]=4 312 B10R1.30 NC1=NC=C(Br)C=C1CO DY20496 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.30 NC1=NC=C(Br)N=C1C=O NO15016 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.30 NCC1=NC(Cl)=CC=C1Br DY651043 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.30 NCC1=NC(Cl)=CC=C1Cl DY651001 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.30 OCC1=CC(Br)=CN=C1Br DY432612 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.30 OCC1=CC(Cl)=CN=C1Br DY450346 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 NO18282 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.113 CC(=O)C1=CC(C)=CN=C1 NO16656 [0,1,0,0,0,0|1,0,1]=3 320 B10R1.113 CC(=O)C1=CC=CC(C)=C1 NO19159 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.113 CC(=O)C1=NC(C)=CC=C1 NO18426 [0,1,0,0,0,0|1,0,1]=3 322 B10R1.113 CC(=O)C1=NC(F)=CC=C1 DY556983 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 DY454324 [0,1,0,0,0,0|2,0,0]=3 324 B10R1.113 CC(N)C1=CC(Br)=CC=C1 DY447729 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.113 CC(O)C1=CC(Cl)=CC=C1 DY797607 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.113 CC(O)C1=CC(N)=CC=C1 NO21787 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.113 CC(O)C1=NC(Br)=CC=C1 NO14015 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.113 CC1=CC(C(=O)O)=CN=C1 NO20319 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.113 CC1=CC(C(C)N)=NC=C1 DY561633 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.113 CC1=CC(C(C)N)=NC=C1 DY605899 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 NO17345 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.113 CC1=CC([N+](=O)[O-])=CN=C1 DY567717 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.113 CC1=CC=CC(B(O)O)=N1 DY106708 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.113 CC1=CC=CC(C(=O)O)=N1 NO16317 [0,1,0,0,0,0|2,0,1]=4 335 B10R1.113 CC1=CC=CC(C(N)=O)=N1 DY661291 [0,1,0,0,0,0|2,0,1]=4 336 B10R1.113 CC1=CC=CC([C@@H](C)N)=N1 DY511947 [0,1,0,0,0,0|1,0,0]=2 337 B10R1.113 CC1=NC(C(=O)O)=CN=C1 DY10465 [0,1,0,0,0,0|1,0,1]=3 338 B10R1.113 CC1=NC(C(F)F)=CC=C1 DY503073 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.113 CC1=NC=CC(C(C)N)=C1 DY110560 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 NO19312 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.113 C[C@@H](N)C1=CC(F)=CN=C1 DY106300 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.113 C[C@@H](N)C1=CC(F)=CN=C1 DY621603 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 DY558015 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.113 C[C@@H](N)C1=NC(F)=CC=C1 DY716816 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 NO19671 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.113 NC(=O)C1=NC(Br)=CN=C1 DY511665 [0,1,0,0,0,0|2,0,1]=4 347 B10R1.113 NC1=CN=CC(C(=O)O)=N1 NO12628 [0,1,0,0,0,0|2,0,1]=4 348 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 NO12423 [0,1,0,0,0,0|2,0,1]=4 349 B10R1.172 CCC1=CC=CC(C=O)=C1 NO11688 [0,1,0,0,0,0|2,0,1]=4 350 B10R1.172 CCC1=NC(CC)=NC=C1 DY692656 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.172 COC1=CC=CC(C=O)=N1 NO20321 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.172 COC1=CC=CC(CBr)=C1 DY576513 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.172 COC1=CC=CC(CCl)=C1 DY10324 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.172 COC1=CC=CC(CCl)=N1 NO16831 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.172 COC1=CC=CC(CN)=C1 NO19097 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.172 COC1=CC=CC(CO)=C1 NO19269 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.172 COC1=CC=CC(NN)=N1 DY655837 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.172 COC1=CC=CC(OC)=C1 NO19845 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.172 COC1=CN=CC(C=O)=C1 NO17827 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.172 COC1=CN=CC(NN)=N1 DY710515 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.172 COC1=CN=CC(OC)=C1 NO17332 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.172 COC1=CN=NC(CO)=C1 DY564213 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.172 COC1=NC(C#N)=CN=C1 NO10728 [0,1,0,0,0,0|1,0,1]=3 364 B10R1.172 COC1=NC(OC)=NC=C1 NO19530 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.172 COC1=NC(OC)=N[C-]=C1 DY738068 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.172 COC1=NC=CC(CO)=N1 DY103739 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.172 CSC1=NC=CC(CCl)=N1 DY693995 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.172 ClCC1=CC=CC(CCl)=C1 DY20408 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.172 ClCC1=CC=CC(CCl)=N1 DY10384 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.172 N#CC1=CN=CC(CCl)=C1 DY713203 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.172 N#CC1=CN=CC(CO)=C1 NO20220 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.172 N#CC1=NC(CCl)=CC=C1 NO10692 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.172 N#CC1=NC(CN)=CC=C1 DY660549 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.172 NCC1=CC(C=O)=CN=C1 DY33471 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.172 NCC1=CC=CC(CN)=N1 DY550317 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.172 OCC1=CC(CBr)=CC=C1 NO10867 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.172 OCC1=CC=CC(CO)=N1 DY10441 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.172 OCC1=CC=CC(CO)=N1 DY663941 [0,1,0,0,0,0|2,0,0]=3 379 B10R1.176 BrCC1=CN=C(Br)C(Br)=C1 DY652986 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.176 CC1=C(Br)C=CC(CN)=C1 DY525519 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.176 CC1=C(Br)N=CC(CN)=C1 DY651722 [0,1,0,0,0,0|2,0,0]=3 382 B10R1.176 CC1=C(C)C=C(CO)C=C1 DY40706 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.176 CC1=C(C)N=C(C=O)C=C1 DY585491 [0,1,0,0,0,0|2,0,1]=4 384 B10R1.176 CC1=C(C)N=C(CN)C=C1 DY651451 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.176 CC1=C(C)N=CC(C=O)=C1 DY448588 [0,1,0,0,0,0|2,0,1]=4 386 B10R1.176 CC1=C(Cl)C=CC(C=O)=N1 DY659954 [0,1,0,0,0,0|2,0,1]=4 387 B10R1.176 CC1=C(Cl)N=CC(CO)=C1 NO16130 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.176 CC1=C(F)C=CC(C=O)=N1 NO12797 [0,1,0,0,0,0|2,0,1]=4 389 B10R1.176 CC1=C(N)C=CC(C#N)=N1 NO16827 [0,1,0,0,0,0|2,0,1]=4 390 B10R1.176 CC1=C(O)C=CC(CN)=C1 DY445599 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.176 CC1=CC(C#N)=CN=C1Br NO19531 [0,1,0,0,0,0|2,0,1]=4 392 B10R1.176 CC1=CC(C#N)=CN=C1Cl NO15703 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.176 CC1=CC(C#N)=CN=C1F DY20008 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.176 CC1=CC(C#N)=CN=C1N DY20316 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.176 CC1=NC(CO)=CC=C1O DY660681 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.176 CCC1=CC(C)=C(I)C=C1 DY575811 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 DY432619 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.176 CCC1=CC(O)=C(N)C=C1 NO16266 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.176 CCC1=CN=C(C)C(C)=N1 NO21048 [0,1,0,0,0,0|0,0,0]=1 400 B10R1.176 COC1=CC(C)=C(Cl)N=N1 DY736466 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.176 COC1=CC(C)=C(N)C=C1 NO13421 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.176 COC1=CC(C)=C(O)C=C1 NO15470 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.176 COC1=CC=C(Br)C(C)=N1 NO13578 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.176 COC1=CC=C(Cl)C(Br)=N1 DY443794 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.176 COC1=CC=C(Cl)C(N)=N1 NO13810 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.176 COC1=CC=C(N)C(Br)=N1 NO13635 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.176 COC1=CC=C(N)C(C)=N1 DY20014 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.176 COC1=CC=C(N)C(C)=N1 NO19107 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.176 COC1=CC=C(N)C(Cl)=N1 NO21484 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.176 COC1=CC=C(O)C(C)=N1 DY661236 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.176 COC1=CN=C(Br)C(N)=C1 NO12413 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.176 COC1=CN=C(Cl)C(N)=C1 NO15129 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.176 CSC1=CN=C(Cl)C(Cl)=N1 DY103849 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.176 CSC1=NC=C(Br)C(C)=N1 DY516549 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.176 CSC1=NC=C(Cl)C(C)=N1 DY694872 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.176 FC1=NC=C(CBr)C=C1Cl DY430835 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.176 NCC1=CC(Br)=C(F)N=C1 DY651547 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.176 NCC1=NC(Cl)=C(Cl)C=C1 DY536751 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.176 OCC1=NC(Br)=C(Cl)C=C1 DY651716 [0,1,0,0,0,0|3,0,0]=4 420 B10R2.31 BrC1=CC=C2CCC2=C1 DY505107 [0,0,0,1,0,0|3,0,0]=4 421 B10R2.31 NC1=CC=C2CCC2=C1 DY686977 [0,0,0,1,0,0|3,0,0]=4 422 B8R1.1 CC1=CC(CBr)=NO1 DY516921 [0,0,0,0,1,0|3,0,0]=4 423 B8R1.1 CC1=CC(CCl)=NN1 DY586450 [0,0,0,0,1,0|3,0,0]=4 424 B8R1.1 CC1=CC(CN)=NO1 DY504243 [0,0,0,0,1,0|3,0,0]=4 425 B8R1.1 CC1=CC(CO)=NN1 NO17779 [0,0,0,0,1,0|3,0,0]=4 426 B8R1.1 CC1=CC=C(C#N)N1 NO16878 [0,0,0,0,1,0|1,0,2]=4 427 B8R1.1 CC1=CC=C(C=O)N1 NO10436 [0,0,0,0,1,0|1,0,2]=4 428 B8R1.1 CC1=CC=C(C=O)S1 DY20284 [0,0,0,0,1,0|2,0,1]=4 429 B8R1.1 CC1=CNC(C#N)=N1 NO17142 [0,0,0,0,1,0|1,0,2]=4 430 B8R1.1 CC1=CNC(CO)=C1 DY717969 [0,0,0,0,1,0|2,0,1]=4 431 B8R1.1 CC1=CSC(CO)=N1 DY520509 [0,0,0,0,1,0|2,0,0]=3 432 B8R1.1 CC1=NC(C=O)=CN1 DY584489 [0,0,0,0,1,0|1,0,2]=4 433 B8R1.1 CC1=NC(C=O)=NO1 DY505473 [0,0,0,0,1,0|2,0,1]=4 434 B8R1.1 CC1=NC(CBr)=NO1 DY582897 [0,0,0,0,1,0|2,0,0]=3 435 B8R1.1 CC1=NC=C(C=O)O1 DY773127 [0,0,0,0,1,0|2,0,1]=4 436 B8R1.1 CC1=NC=C(C=O)S1 DY21171 [0,0,0,0,1,0|2,0,1]=4 437 B8R1.1 CC1=NC=C(CN)S1 DY564495 [0,0,0,0,1,0|2,0,0]=3 438 B8R1.1 CC1=NOC(CN)=N1 DY544515 [0,0,0,0,1,0|2,0,0]=3 439 B8R1.1 CCC1=CC(C)=CS1 DY447443 [0,0,0,0,1,0|2,0,0]=3 440 B8R1.1 CCC1=CN=C(Br)S1 DY786274 [0,0,0,0,1,0|2,0,0]=3 441 B8R1.1 CCC1=CN=C(N)S1 DY518967 [0,0,0,0,1,0|2,0,0]=3 442 B8R1.1 CCC1=CSC(N)=N1 DY544221 [0,0,0,0,1,0|2,0,0]=3 443 B8R1.1 CCC1=NC=C(C)N1 DY580743 [0,0,0,0,1,0|0,0,1]=2 444 B8R1.1 CCC1=NN=C(O)S1 DY607629 [0,0,0,0,1,0|3,0,0]=4 445 B8R1.1 CCC1=NNC(N)=C1 DY647282 [0,0,0,0,1,0|3,0,0]=4 446 B8R1.1 CCC1=NNC(N)=C1 NO18101 [0,0,0,0,1,0|3,0,0]=4 447 B8R1.1 CCC1=NNC(N)=N1 DY604472 [0,0,0,0,1,0|2,0,0]=3 448 B8R1.1 CCC1=NOC(N)=C1 DY773151 [0,0,0,0,1,0|3,0,0]=4 449 B8R1.1 CCC1=NOC(O)=N1 DY607371 [0,0,0,0,1,0|2,0,0]=3 450 B8R1.1 CCN1C=C(Br)C=N1 DY453340 [0,0,0,0,1,0|3,0,0]=4 451 B8R1.1 CCN1C=C(N)C=N1 DY605243 [0,0,0,0,1,0|3,0,0]=4 452 B8R1.1 CCN1C=CC(I)=N1 DY645182 [0,0,0,0,1,0|2,0,0]=3 453 B8R1.1 CC[N+]1=CN(C)C=C1 DY565521 [0,0,0,0,1,0|3,0,0]=4 454 B8R1.1 CN1C=C(CN)C=N1 DY553167 [0,0,0,0,1,0|3,0,0]=4 455 B8R1.1 CN1C=C(CO)C=N1 NO19818 [0,0,0,0,1,0|3,0,0]=4 456 B8R1.1 CN1C=CC(C#N)=N1 NO20751 [0,0,0,0,1,0|2,0,1]=4 457 B8R1.1 CN1C=CC(C=O)=N1 NO18204 [0,0,0,0,1,0|2,0,1]=4 458 B8R1.1 CN1C=CC(CCl)=N1 DY646990 [0,0,0,0,1,0|2,0,0]=3 459 B8R1.1 CN1C=NC(C=O)=N1 DY769773 [0,0,0,0,1,0|2,0,1]=4 460 B8R1.1 CN1C=NC(CO)=C1 NO18049 [0,0,0,0,1,0|3,0,0]=4 461 B8R1.1 CN1C=NC(CO)=N1 NO14509 [0,0,0,0,1,0|2,0,0]=3 462 B8R1.1 COC1=NC(N)=NS1 DY794733 [0,0,0,0,1,0|3,0,0]=4 463 B8R1.1 CSC1=NC(N)=NS1 DY796761 [0,0,0,0,1,0|3,0,0]=4 464 B8R1.1 ClCC1=CC=C(Cl)S1 NO17500 [0,0,0,0,1,0|3,0,0]=4 465 B8R1.1 ClCC1=CSC(Cl)=N1 DY785104 [0,0,0,0,1,0|3,0,0]=4 466 B8R1.1 NC1=NC(CCl)=CS1 NO18388 [0,0,0,0,1,0|3,0,0]=4 467 B8R1.1 NC1=NC=C(CO)S1 DY517203 [0,0,0,0,1,0|3,0,0]=4 468 B8R1.1 NCC1=CC=C(Br)O1 DY432586 [0,0,0,0,1,0|3,0,0]=4 469 B8R1.1 NCC1=CC=C(Br)O1 DY759704 [0,0,0,0,1,0|3,0,0]=4 470 B8R1.1 NCC1=CN=C(Br)S1 DY517569 [0,0,0,0,1,0|3,0,0]=4 471 B8R1.1 NCC1=CN=C(Cl)S1 NO12616 [0,0,0,0,1,0|3,0,0]=4 472 B8R1.1 NCC1=CN=C(Cl)S1 NO19827 [0,0,0,0,1,0|3,0,0]=4 473 B8R1.1 NCC1=CSC(Br)=N1 DY460992 [0,0,0,0,1,0|3,0,0]=4 474 B8R1.1 NCC1=NC(Br)=CS1 DY567777 [0,0,0,0,1,0|3,0,0]=4 475 B8R1.1 OCC1=CC=C(Br)O1 NO15423 [0,0,0,0,1,0|3,0,0]=4 476 B8R1.1 OCC1=CN=C(Br)O1 DY772959 [0,0,0,0,1,0|3,0,0]=4 477 B8R1.1 OCC1=CN=C(Br)S1 NO18424 [0,0,0,0,1,0|3,0,0]=4 478 B8R1.1 OCC1=CSC(Br)=N1 NO15600 [0,0,0,0,1,0|3,0,0]=4 479 B8R1.1 OCC1=CSC(Cl)=N1 DY785710 [0,0,0,0,1,0|3,0,0]=4 480 B8R1.11 CC1=C(CN)SC=C1 DY609391 [0,0,0,0,1,0|3,0,0]=4 481 B8R1.11 CC1=CSC=C1C=O DY570849 [0,0,0,0,1,0|2,0,1]=4 482 B8R1.11 CC1=NOC=C1CN DY773325 [0,0,0,0,1,0|3,0,0]=4 483 B8R1.11 CC1=NOC=C1CO DY773595 [0,0,0,0,1,0|3,0,0]=4 484 B8R1.11 CCC1=CNN=C1N NO14342 [0,0,0,0,1,0|2,0,1]=4 485 B8R1.11 CCC1=NNC=C1Br DY607581 [0,0,0,0,1,0|2,0,1]=4 486 B8R1.11 CCC1=NNC=C1C DY647288 [0,0,0,0,1,0|1,0,1]=3 487 B8R1.11 CCN1C=CN=C1C DY540057 [0,0,0,0,1,0|3,0,0]=4 488 B8R1.11 CN1C=CC=C1CN DY717975 [0,0,0,0,1,0|3,0,0]=4 489 B8R1.11 CN1C=NC=C1CN DY725329 [0,0,0,0,1,0|2,0,0]=3 490 B8R1.11 CN1C=NN=C1CCl DY609472 [0,0,0,0,1,0|3,0,0]=4 491 B8R1.11 CN1C=NN=C1CO NO15203 [0,0,0,0,1,0|3,0,0]=4 492 B7R1.3 BrC1=CC=CN=C1 NO19218 [2,0,0,0,0,0|2,0,0]=4 493 B7R1.3 BrC1=NC=CC=C1 NO17815 [2,0,0,0,0,0|2,0,0]=4 494 B7R1.3 BrC1=NC=CN=C1 NO15000 [2,0,0,0,0,0|1,0,0]=3 495 B7R1.3 CC1=CC=CN=N1 NO22374 [2,0,0,0,0,0|2,0,0]=4 496 B7R1.3 CC1=CN=CN=C1 NO18851 [2,0,0,0,0,0|2,0,0]=4 497 B7R1.3 CC1=CN=NC=C1 NO22983 [2,0,0,0,0,0|2,0,0]=4 498 B7R1.3 CC1=NC=NC=C1 NO19795 [2,0,0,0,0,0|2,0,0]=4 499 B7R1.3 ClC1=NC=CC=C1 DY20672 [2,0,0,0,0,0|2,0,0]=4 500 B7R1.3 ClC1=NC=CN=C1 NO15454 [2,0,0,0,0,0|1,0,0]=3 501 B7R1.3 FC1=CC=CN=C1 DY20006 [2,0,0,0,0,0|2,0,0]=4 502 B7R1.3 FC1=NC=CC=C1 DY20005 [2,0,0,0,0,0|2,0,0]=4 503 B7R1.3 IC1=NC=CC=C1 NO14565 [2,0,0,0,0,0|2,0,0]=4 504 B7R1.3 IC1=NC=CN=C1 DY425096 [2,0,0,0,0,0|1,0,0]=3 505 B7R1.3 NC1=CC=CN=C1 NO19073 [2,0,0,0,0,0|2,0,0]=4 506 B7R1.3 NC1=NC=CN=C1 NO16102 [2,0,0,0,0,0|1,0,0]=3 507 B7R1.3 NC1=NC=CN=N1 DY459438 [2,0,0,0,0,0|2,0,0]=4 508 B7R1.3 OC1=CC=CN=C1 NO17813 [2,0,0,0,0,0|2,0,0]=4 509 B7R1.3 OC1=NC=CC=C1 NO21602 [2,0,0,0,0,0|2,0,0]=4 510 B7R1.3 OC1=NC=CN=C1 NO21601 [2,0,0,0,0,0|1,0,0]=3 511 B9R1.1 BrCC1=CN=C(Br)C=C1 DY655150 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.1 CC1=CC=C(CO)C=N1 DY21041 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.1 CC1=CN=C(C=O)C=N1 NO12781 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.1 CC1=CN=C(CN)C=C1 DY711847 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.1 CC1=CN=C(CN)C=C1 NO18319 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.1 CC1=CN=C(CO)C=N1 NO12383 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.1 CC1=NC=C(CCl)C=C1 DY585961 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.1 CCC1=CC=C(Br)C=C1 NO10865 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.1 CCC1=CC=C(Cl)C=C1 DY584444 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.1 CCC1=CC=C(F)C=C1 DY20965 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.1 CCC1=CC=C(I)C=C1 DY20189 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 CCC1=CC=C(N)C=N1 DY515529 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.1 CCC1=CC=C(O)C=C1 DY20188 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.1 CCC1=CN=C(Br)C=C1 NO13124 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.1 CCC1=CN=C(C)C=C1 DY20566 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.1 CCC1=CN=C(N)C=C1 DY585943 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.1 CCC1=CN=C(N)N=C1 NO14255 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [1,1,0,0,0,0|1,0,0]=3 529 B9R1.1 CCC1=NC=C(Br)C=C1 NO12376 [1,1,0,0,0,0|1,0,0]=3 530 B9R1.1 CCC1=NC=C(Br)C=N1 NO13125 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.1 CCC1=NC=C(C)N=C1 DY710647 [1,1,0,0,0,0|0,0,0]=2 532 B9R1.1 CCC1=NC=C(I)C=N1 DY693478 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.1 CNC1=NC=C(Br)C=C1 NO10304 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.1 CNC1=NC=C(F)C=C1 DY711535 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.1 COC1=CC=C(N)C=N1 NO19527 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.1 COC1=CN=C(Br)C=C1 NO13470 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.1 COC1=CN=C(Br)C=N1 NO21377 [1,1,0,0,0,0|1,0,0]=3 538 B9R1.1 COC1=CN=C(Cl)C=N1 NO14927 [1,1,0,0,0,0|1,0,0]=3 539 B9R1.1 COC1=CN=C(N)C=C1 NO17791 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.1 COC1=CN=C(N)C=N1 NO19706 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.1 COC1=NC=C(Br)C=C1 DY716534 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.1 COC1=NC=C(Br)C=C1 NO22030 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.1 COC1=NC=C(C)C=C1 NO21644 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.1 COC1=NC=C(Cl)C=C1 NO17976 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.1 COC1=NC=C(I)C=C1 NO21641 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.1 CSC1=CC=C(N)C=N1 DY547125 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.1 CSC1=CN=C(C)C=N1 DY710851 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.1 CSC1=NC=C(Cl)C=C1 DY454120 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.1 ClC1=CN=C(CBr)C=C1 NO16112 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.1 ClC1=CN=C(CBr)C=C1 NO17526 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.1 ClCC1=NC=C(Cl)C=C1 DY446951 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.1 FC1=NC=C(CBr)C=C1 NO13268 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.1 N#CC1=CN=C(N)C=N1 NO17828 [1,1,0,0,0,0|1,0,1]=4 554 B9R1.1 N#CC1=NC=C(Cl)N=C1 NO12402 [1,1,0,0,0,0|1,0,1]=4 555 B9R1.1 NCC1=CC=C(Br)N=C1 NO11090 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.1 NCC1=CC=C(Cl)N=C1 NO16390 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.1 NCC1=CC=C(N)C=N1 NO10590 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.1 NCC1=NC=C(Cl)N=C1 DY504699 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.1 NCC1=NC=C(Cl)N=C1 DY532911 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.1 NCC1=NC=C(F)C=C1 DY430169 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.1 NCC1=NC=C(F)C=C1 NO16554 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.1 OCC1=CN=C(Cl)C=C1 DY20657 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.1 OCC1=NC=C(Br)C=C1 NO23005 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.1 OCC1=NC=C(Cl)C=C1 NO21758 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.1 OCC1=NC=C(Cl)N=C1 NO14569 [1,1,0,0,0,0|1,0,0]=3 566 B9R1.1 OCC1=NC=C(F)C=C1 NO10382 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.6 CC(=O)C1=CC=CN=C1 NO18256 [1,1,0,0,0,0|1,0,1]=4 568 B9R1.6 CC(=O)C1=NC=CC=C1 NO18611 [1,1,0,0,0,0|1,0,1]=4 569 B9R1.6 CC(=O)C1=NC=CN=C1 NO19346 [1,1,0,0,0,0|0,0,1]=3 570 B9R1.6 CC(Br)C1=NC=CN=C1 DY710527 [1,1,0,0,0,0|0,0,0]=2 571 B9R1.6 CC(C)C1=NC=CC=C1 NO21621 [1,1,0,0,0,0|1,0,0]=3 572 B9R1.6 CC(N)C1=CC=CC=C1 DY457042 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.6 CC(N)C1=CC=CN=N1 DY526767 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.6 CC(N)C1=NC=CN=C1 NO12997 [1,1,0,0,0,0|0,0,0]=2 575 B9R1.6 CC(O)C1=CN=CN=C1 DY572325 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.6 CC(O)C1=NC=CC=C1 NO20801 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY553203 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY621669 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.6 C[C@@H](O)C1=NC=CC=C1 DY20310 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.6 C[C@@H](O)C1=NC=CC=N1 DY621675 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.6 C[C@H](N)C1=CC=CN=C1 DY546027 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.6 C[C@H](N)C1=NC=CC=C1 NO15370 [1,1,0,0,0,0|1,0,0]=3 583 B9R1.6 C[C@H](O)C1=CC=CN=N1 DY586498 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.6 NC(=O)C1=NC=CN=C1 NO13379 [1,1,0,0,0,0|1,0,1]=4 585 B9R1.6 O=C(O)C1=NC=CN=C1 NO17531 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.6 O=[N+]([O-])C1=NC=CN=C1 DY710017 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.8 CCCC1=CC=CN=C1 NO22402 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.8 CCOC1=CC=CN=N1 DY736406 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.8 CCOC1=NC=CN=C1 NO21524 [1,1,0,0,0,0|0,0,0]=2 591 B9R1.8 CNCC1=CC=CC=C1 DY10559 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.8 CNCC1=CC=CC=C1 DY20323 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.8 CNCC1=CC=CC=C1 DY21006 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.8 CNCC1=CC=CN=C1 NO18846 [1,1,0,0,0,0|1,0,0]=3 595 B9R1.8 CNCC1=NC=CC=C1 DY501242 [1,1,0,0,0,0|1,0,0]=3 596 B9R1.8 CNCC1=NC=CC=C1 DY663671 [1,1,0,0,0,0|1,0,0]=3 597 B9R1.8 COCC1=NC=CC=C1 NO20909 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.8 CSCC1=NC=CN=C1 DY710935 [1,1,0,0,0,0|0,0,0]=2 599 B9R1.8 ClCCC1=NC=CN=C1 DY585865 [1,1,0,0,0,0|0,0,0]=2 600 B9R1.8 N#CCC1=CC=CN=C1 NO18407 [1,1,0,0,0,0|1,0,1]=4 601 B9R1.8 N#CCC1=NC=CC=C1 NO18926 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.8 NCCC1=CC=CN=C1 NO21892 [1,1,0,0,0,0|1,0,0]=3 603 B9R1.8 NCCC1=CN=CN=C1 DY693160 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.8 NCCC1=NC=CC=C1 NO14064 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.8 NCCC1=NC=CC=N1 DY510693 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.8 NNCC1=NC=CC=C1 DY578445 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.8 OCCC1=CN=CN=C1 NO12401 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 CC1=C(CBr)C=NC=C1 DY656650 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.15 CC1=C(CBr)C=NC=C1 NO17496 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 CC1=C(CN)C=NC=C1 NO20204 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.15 CC1=CC=CN=C1CCl NO15725 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.15 CC1=CC=CN=C1CO NO19225 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.15 CC1=NC=CC=C1CBr DY520989 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 CC1=NC=CC=C1CO NO20145 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 CCC1=C(Br)C=CC=C1 NO20980 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 CCC1=C(C)C=CC=C1 NO21536 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.15 CCC1=C(I)C=CC=C1 DY534201 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 CCC1=CC=CN=C1C DY522489 [1,1,0,0,0,0|1,0,0]=3 619 B9R1.15 CCC1=CN=CN=C1Cl DY559413 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 CCC1=NC=CN=C1Cl NO21430 [1,1,0,0,0,0|0,0,0]=2 621 B9R1.15 CCC1=NC=NC=C1F NO19573 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 CNC1=NC=CC=C1Br NO17281 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 COC1=C(Br)C=CN=C1 NO14715 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 COC1=C(Cl)C=CN=C1 DY442708 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 COC1=C(N)C=CN=C1 NO22564 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.15 COC1=CC=CN=C1Br NO19255 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 COC1=CC=CN=C1Cl NO19305 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 COC1=CC=CN=C1F NO13044 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 COC1=CC=CN=C1N NO17216 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 COC1=NC=CC=C1Br DY715700 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 COC1=NC=CC=C1Br NO19258 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 COC1=NC=CC=C1Cl NO18705 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.15 COC1=NC=CC=C1F NO19564 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.15 COC1=NC=CC=C1I NO13512 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.15 COC1=NC=CC=C1N NO19526 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.15 COC1=NC=CN=C1Br NO12288 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.15 COC1=NC=CN=C1Cl NO14291 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.15 COC1=NC=CN=C1N DY441119 [1,1,0,0,0,0|1,0,0]=3 639 B9R1.15 CSC1=CC=CN=C1Cl DY452032 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.15 ClC1=CC=CN=C1CBr DY116292 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 ClC1=NC=CN=C1CBr DY709861 [1,1,0,0,0,0|1,0,0]=3 642 B9R1.15 ClCC1=NC=CC=C1Br DY656902 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.15 ClCC1=NC=CN=C1Cl NO12698 [1,1,0,0,0,0|1,0,0]=3 644 B9R1.15 N#CC1=NC=CN=C1Br DY443142 [1,1,0,0,0,0|1,0,1]=4 645 B9R1.15 N#CC1=NC=CN=C1Cl NO22668 [1,1,0,0,0,0|1,0,1]=4 646 B9R1.15 N#CC1=NC=CN=C1N NO22107 [1,1,0,0,0,0|1,0,1]=4 647 B9R1.15 N#CC1=NC=CN=C1O DY710797 [1,1,0,0,0,0|1,0,1]=4 648 B9R1.15 NC1=NC=CC=C1CO NO13983 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.15 NC1=NC=CN=C1C=O NO13122 [1,1,0,0,0,0|1,0,1]=4 650 B9R1.15 NCC1=C(Br)C=CN=C1 DY651253 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.15 NCC1=C(O)C=CN=C1 DY656620 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.15 NCC1=CC=CN=C1F DY538641 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.15 NCC1=NC=CC=C1Br DY713191 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.15 NCC1=NC=CC=C1N DY654384 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.15 NCC1=NC=CN=C1Cl NO14522 [1,1,0,0,0,0|1,0,0]=3 656 B9R1.15 NCC1=NC=CN=C1Cl NO14728 [1,1,0,0,0,0|1,0,0]=3 657 B9R1.15 OCC1=C(Cl)C=CN=C1 NO17105 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.15 OCC1=CC=CN=C1Cl NO14328 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.15 OCC1=CC=CN=C1F NO18697 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.15 OCC1=NC=CC=C1Cl NO17318 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.15 OCC1=NC=CC=C1O DY20200 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.3 CC1=CC=CC(C)=C1Br NO19952 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.3 CC1=CC=CC(C)=C1O NO21185 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.3 CC1=CC=CC(C)=C1S DY789459 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.3 CC1=CN=CC(Br)=C1C DY453100 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.3 CC1=CN=CC(Br)=C1N NO19435 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.34 CC1=CC(Br)=CC(C)=N1 NO17464 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.34 CC1=CC(Br)=CC(F)=N1 DY431200 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.34 CC1=CC(Br)=CC(O)=N1 NO15180 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.34 CC1=CC(Br)=NC(C)=C1 NO14545 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.34 CC1=CC(C)=CC(Br)=C1 NO19140 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.34 CC1=CC(C)=CC(I)=C1 NO19879 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.34 CC1=CC(C)=CC(N)=C1 NO19815 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.34 CC1=CC(Cl)=CC(C)=N1 NO17490 [1,1,0,0,0,0|1,0,0]=3 675 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 NO21090 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.34 CC1=CC(Cl)=CC(N)=N1 NO21244 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.34 CC1=CC(Cl)=NC(C)=C1 NO18953 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.34 CC1=CC(Cl)=NC(C)=N1 NO19474 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.34 CC1=CC(I)=CC(C)=N1 NO15577 [1,1,0,0,0,0|1,0,0]=3 680 B9R1.34 CC1=CC(N)=NC(C)=C1 NO19570 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.34 CC1=CC(N)=NC(C)=N1 NO14489 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.34 CC1=CC(O)=CC(I)=N1 DY716678 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.34 CC1=CC(O)=CC(O)=N1 NO21109 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.34 CC1=CC(O)=NC(C)=C1 NO18772 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.34 Cc1cc(C)cc(F)c1 NO10870 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.69 BrC1=CN=C(Br)C(Br)=N1 NO15065 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.69 CC1=C(Br)C=CC(N)=N1 NO23028 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.69 CC1=C(Br)C=CC(O)=N1 NO18359 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.69 CC1=C(Br)N=CC(N)=C1 NO19464 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.69 CC1=C(Br)N=CC(N)=N1 NO14357 [1,1,0,0,0,0|1,0,0]=3 691 B9R1.69 CC1=C(C)N=C(N)C=N1 DY115982 [1,1,0,0,0,0|1,0,0]=3 692 B9R1.69 CC1=C(Cl)N=CC(N)=C1 NO14239 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.69 CC1=C(Cl)N=CC(N)=N1 DY555291 [1,1,0,0,0,0|1,0,0]=3 694 B9R1.69 CC1=C(Cl)N=CC(O)=C1 NO15214 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.69 CC1=C(I)N=CC(N)=C1 DY661206 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.69 CC1=CC(Br)=CN=C1Br NO18978 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.69 CC1=CC(Br)=CN=C1F NO14095 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.69 CC1=CC(Br)=CN=C1N DY20013 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.69 CC1=CC(Br)=CN=C1O NO18541 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.69 CC1=CC(Cl)=CN=C1Br NO15514 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.69 CC1=CC(Cl)=CN=C1Cl NO15205 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.69 CC1=CC(Cl)=CN=C1F NO14231 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.69 CC1=CC(Cl)=CN=C1N NO13921 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.69 CC1=CC(Cl)=CN=C1O DY20516 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.69 CC1=CC(F)=CN=C1Br NO21373 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.69 CC1=CC(F)=CN=C1Cl NO14240 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.69 CC1=CC(F)=CN=C1N NO17590 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.69 CC1=CC(I)=CN=C1N NO13801 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.69 CC1=CC=C(Br)C(Br)=N1 NO14048 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.69 CC1=CC=C(Br)C(C)=N1 NO20363 [1,1,0,0,0,0|1,0,0]=3 711 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 NO13860 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.69 CC1=CC=C(Br)C(N)=N1 NO19460 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.69 CC1=CC=C(C)C(Cl)=N1 NO16816 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.69 CC1=CC=C(C)C(N)=N1 NO16045 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.69 CC1=CC=C(Cl)C(Br)=N1 DY585662 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 NO21017 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.69 CC1=CC=C(F)C(Br)=N1 NO14229 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.69 CC1=CC=C(F)C(Cl)=N1 NO14228 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.69 CC1=CC=C(I)C(N)=N1 NO13037 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.69 CC1=CC=C(N)C(Br)=N1 NO19459 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.69 CC1=CC=C(N)C(C)=N1 NO19572 [1,1,0,0,0,0|1,0,0]=3 722 B9R1.69 CC1=CC=C(N)C(Cl)=N1 NO19471 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.69 CC1=CC=C(N)C(F)=N1 DY551829 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.69 CC1=CC=C(O)C(Br)=N1 NO21385 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.69 CC1=CC=C(O)C(Cl)=N1 NO21487 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.69 CC1=CC=C(O)C(I)=N1 NO21614 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.69 CC1=CC=C(O)C(N)=N1 DY431086 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.69 CC1=CN=C(Br)C(Br)=C1 NO18938 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.69 CC1=CN=C(Br)C(C)=C1 DY20801 [1,1,0,0,0,0|1,0,0]=3 730 B9R1.69 CC1=CN=C(Br)C(F)=C1 DY20932 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.69 CC1=CN=C(Br)C(I)=C1 DY33513 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.69 CC1=CN=C(Br)C(N)=C1 DY20317 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.69 CC1=CN=C(C)C(C)=C1 NO20999 [1,1,0,0,0,0|1,0,0]=3 734 B9R1.69 CC1=CN=C(C)C(I)=N1 DY427440 [1,1,0,0,0,0|1,0,0]=3 735 B9R1.69 CC1=CN=C(C)C(N)=C1 DY578583 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.69 CC1=CN=C(C)C(N)=N1 NO15990 [1,1,0,0,0,0|1,0,0]=3 737 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 NO13831 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.69 CC1=CN=C(Cl)C(C)=N1 NO21418 [1,1,0,0,0,0|0,0,0]=2 739 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 NO17128 [1,1,0,0,0,0|1,0,0]=3 740 B9R1.69 CC1=CN=C(Cl)C(F)=C1 NO19037 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.69 CC1=CN=C(Cl)C(I)=C1 NO21432 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.69 CC1=CN=C(Cl)C(N)=C1 NO19472 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.69 CC1=CN=C(Cl)C(N)=N1 DY105904 [1,1,0,0,0,0|1,0,0]=3 744 B9R1.69 CC1=CN=C(F)C(Br)=C1 NO13828 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.69 CC1=CN=C(F)C(I)=C1 NO13746 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.69 CC1=CN=C(I)C(Br)=C1 DY656926 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.69 CC1=CN=C(N)C(Br)=C1 NO19456 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.69 CC1=CN=C(N)C(C)=C1 DY427372 [1,1,0,0,0,0|1,0,0]=3 749 B9R1.69 CC1=CN=C(N)C(Cl)=N1 DY578133 [1,1,0,0,0,0|1,0,0]=3 750 B9R1.69 CC1=CN=C(N)C(I)=C1 DY715448 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.69 CC1=CN=C(N)C(N)=C1 NO12089 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.69 CC1=CN=C(O)C(Br)=C1 NO13830 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.69 CC1=CN=C(O)C(C)=N1 NO12599 [1,1,0,0,0,0|0,0,0]=2 754 B9R1.69 CC1=NC(Br)=CC=C1Br NO19042 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.69 CC1=NC(Br)=CC=C1N NO13574 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.69 CC1=NC(Br)=CC=C1O NO15297 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.69 CC1=NC(Br)=CN=C1N NO12476 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.69 CC1=NC(Cl)=CC=C1F NO19395 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.69 CC1=NC(Cl)=CC=C1N NO13794 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.69 CC1=NC(F)=CC=C1Br NO19026 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.69 CC1=NC(F)=CC=C1O DY452518 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.69 CC1=NC(I)=CC=C1O DY431760 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.69 CC1=NC(I)=CN=C1Cl DY586485 [1,1,0,0,0,0|1,0,0]=3 764 B9R1.69 CC1=NC=C(Cl)N=C1C DY442143 [1,1,0,0,0,0|1,0,0]=3 765 B9R1.69 CC1=NC=C(Cl)N=C1Cl DY578187 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.69 CC1=NC=C(N)C(C)=N1 NO14188 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.69 CC1=NC=C(O)C(C)=N1 NO16008 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.69 ClC1=CN=C(Cl)C(Cl)=N1 NO15064 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.69 ClC1=CN=C(I)C(Cl)=N1 NO15008 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.69 ClC1=NC=C(Br)N=C1Br NO14485 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.69 NC1=NC(Br)=C(I)N=C1 DY710821 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.69 NC1=NC(Br)=CN=C1Br NO12767 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.69 NC1=NC(Br)=CN=C1Cl NO14343 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.69 NC1=NC(Cl)=C(Br)N=C1 NO12181 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.69 NC1=NC(Cl)=C(Cl)N=C1 DY710161 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.69 NC1=NC=C(Br)N=C1Br NO15427 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.69 NC1=NC=C(Br)N=C1Cl NO12621 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.69 NC1=NC=C(Br)N=C1N NO10306 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.69 NC1=NC=C(Cl)N=C1Br NO12450 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.69 NC1=NC=C(Cl)N=C1Cl NO12179 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.69 NC1=NC=C(I)N=C1Cl DY444161 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.69 OC1=NC=C(Br)N=C1Br NO21971 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.7 CC1=NC(CCCl)=CS1 DY605062 [0,1,0,0,1,0|1,0,0]=3 784 B9R1.7 CCCC1=CSC(N)=N1 NO13157 [0,1,0,0,1,0|2,0,0]=4 785 B9R1.7 CCCN1C=CC(I)=N1 DY647313 [0,1,0,0,1,0|2,0,0]=4 786 B9R1.7 CCSC1=NC(N)=NS1 DY791169 [0,1,0,0,1,0|2,0,0]=4 787 B9R1.7 CNCC1=CN=C(Cl)S1 NO17581 [0,1,0,0,1,0|2,0,0]=4 788 B9R1.7 CNCC1=NC(C)=CN1 DY611361 [0,1,0,0,1,0|0,0,1]=3 789 B9R1.7 COCC1=NNC(N)=N1 DY605261 [0,1,0,0,1,0|2,0,0]=4 790 B9R1.7 COCC1=NSC(Cl)=N1 DY531501 [0,1,0,0,1,0|2,0,0]=4 791 B9R1.7 NC1=NN(CCO)C=C1 NO16129 [0,1,0,0,1,0|2,0,0]=4 792 B9R1.7 NCCC1=CN=C(O)S1 DY110548 [0,1,0,0,1,0|2,0,0]=4 793 B9R1.7 NCCC1=CSC(N)=N1 DY602437 [0,1,0,0,1,0|2,0,0]=4 794 B9R1.7 OCCC1=CC=C(Br)S1 DY447413 [0,1,0,0,1,0|2,0,0]=4 795 B9R1.21 CCC1=CSC(C=O)=N1 DY540045 [0,1,0,0,1,0|1,0,1]=4 796 B9R1.21 CCC1=CSC(CN)=N1 DY602955 [0,1,0,0,1,0|1,0,0]=3 797 B9R1.21 CCC1=NC=C(C=O)S1 NO15904 [0,1,0,0,1,0|1,0,1]=4 798 B9R1.21 CCC1=NN=C(CCl)O1 DY586047 [0,1,0,0,1,0|2,0,0]=4 799 B9R1.21 CCC1=NOC(CCl)=C1 DY565491 [0,1,0,0,1,0|2,0,0]=4 800 B9R1.21 CCC1=NOC(CCl)=N1 DY557331 [0,1,0,0,1,0|1,0,0]=3 801 B9R1.21 CCC1=NOC(CN)=N1 DY608618 [0,1,0,0,1,0|1,0,0]=3 802 B9R1.21 NCC1=CC=C(CO)O1 DY577929 [0,1,0,0,1,0|2,0,0]=4 803 B9R1.21 OCC1=CC=C(CO)O1 NO10151 [0,1,0,0,1,0|2,0,0]=4 804 B9R1.22 CC1=NC(C)=C(CCl)S1 DY579759 [0,1,0,0,1,0|2,0,0]=4 805 B9R1.22 CC1=NC(C)=C(CN)S1 DY530211 [0,1,0,0,1,0|2,0,0]=4 806 B9R1.22 CC1=NC(CN)=C(C)O1 DY773133 [0,1,0,0,1,0|2,0,0]=4 807 B9R1.22 CCC1=C(C)N=C(N)S1 NO18463 [0,1,0,0,1,0|2,0,0]=4 808 B9R1.22 CCN1N=C(C)C=C1N DY645188 [0,1,0,0,1,0|1,0,0]=3 809 B9R1.22 CN1C=C(Br)C(CO)=N1 DY643809 [0,1,0,0,1,0|2,0,0]=4 810 B9R1.22 CN1C=C(Cl)C(CO)=N1 DY643815 [0,1,0,0,1,0|2,0,0]=4 811 B9R1.22 CN1C=C(F)C(CO)=N1 DY742501 [0,1,0,0,1,0|2,0,0]=4 812 B9R1.23 CC1=CC(CN)=NN1C DY554259 [0,1,0,0,1,0|2,0,0]=4 813 B9R1.23 CCC1=NC(C)=C(Br)S1 DY785182 [0,1,0,0,1,0|1,0,0]=3 814 B9R1.23 CN1N=C(CO)C=C1Br DY429813 [0,1,0,0,1,0|2,0,0]=4 815 B9R1.23 CNC1=NN(C)C(C)=C1 DY584329 [0,1,0,0,1,0|2,0,0]=4 816 B9R1.35 CC(=O)C1=CC=C(C)S1 NO20396 [0,1,0,0,1,0|1,0,1]=4 817 B9R1.35 CC(=O)C1=CSC(C)=N1 DY542865 [0,1,0,0,1,0|1,0,1]=4 818 B9R1.35 CC(=O)C1=NC(C)=CO1 NO16603 [0,1,0,0,1,0|1,0,1]=4 819 B9R1.35 CC(C)C1=CN=C(Br)S1 NO14917 [0,1,0,0,1,0|2,0,0]=4 820 B9R1.35 CC(C)C1=CN=C(Cl)S1 DY785380 [0,1,0,0,1,0|2,0,0]=4 821 B9R1.35 CC(C)C1=NC=C(Br)N1 DY607323 [0,1,0,0,1,0|1,0,1]=4 822 B9R1.35 CC(C)N1N=CC(N)=N1 DY608710 [0,1,0,0,1,0|2,0,0]=4 823 B9R1.35 CC(N)C1=NN(C)C=N1 DY769977 [0,1,0,0,1,0|1,0,0]=3 824 B9R1.35 CC1=NC(C(C)N)=CS1 DY548289 [0,1,0,0,1,0|1,0,0]=3 825 B9R1.35 CC1=NOC(C(C)N)=N1 DY602809 [0,1,0,0,1,0|1,0,0]=3 826 B9R1.14 COC1=CSC=C1CN DY523269 [0,1,0,0,1,0|2,0,0]=4 827 B9R1.14 COC1=CSC=C1OC NO10119 [0,1,0,0,1,0|2,0,0]=4 828 B9R1.27 CC1=NOC(C)=C1CCl NO19517 [0,1,0,0,1,0|2,0,0]=4 829 B9R1.33 CC1=CN=CN1CCN DY725977 [0,1,0,0,1,0|1,0,0]=3 830 B9R1.33 CN1C=CC=C1CCO DY106498 [0,1,0,0,1,0|2,0,0]=4 831 B9R1.41 CC(C)C1=CN=CN1C DY725473 [0,1,0,0,1,0|1,0,0]=3 832 B9R1.41 CC(N)C1=NN=CN1C DY603460 [0,1,0,0,1,0|2,0,0]=4 833 B9R1.41 CC1=CNN=C1C(C)C DY736177 [0,1,0,0,1,0|1,0,1]=4 834 B11R1.267 CC1=C(CO)C=NC=C1CO DY716672 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.267 CCC1=CC=CC(CC)=C1Br DY442359 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.267 CCC1=CC=CC(CC)=C1N NO21174 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.267 CCC1=CC=CC(CC)=C1O NO21175 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.9 CCC1=CC(Cl)=CC(CC)=N1 DY712879 [0,2,0,0,0,0|1,0,0]=3 839 B11R1.9 COC1=CC(Cl)=CC(CN)=N1 DY651283 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.9 COC1=CC(OC)=NC(C)=C1 DY653054 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.34 CCCC1=CC(Cl)=NC(C)=N1 DY455610 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.34 CCCC1=NC(C)=CC(Cl)=N1 DY603027 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.34 CCOC1=NC(C)=CC(Cl)=N1 DY694205 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.34 CCSC1=NC(C)=CC(=O)N1 DY547281 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.34 COCC1=NC(C)=CC(=O)N1 DY585857 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 NO15839 [0,2,0,0,0,0|1,0,1]=4 847 B11R1.74 CC1=CC(C(C)C)=CC(O)=C1 DY548553 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.74 CC1=NC(C(C)C)=CC(Cl)=N1 DY503175 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 DY652484 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.23 CCC(=O)C1=CC(C)=CC=C1 DY745657 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.23 CCC(N)C1=NC(C)=CC=C1 DY606027 [0,2,0,0,0,0|1,0,0]=3 852 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 DY585435 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.23 COC(=O)C1=CN=CC(C)=C1 NO11660 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 NO12870 [0,2,0,0,0,0|1,0,1]=4 855 B11R1.23 COC(=O)C1=NC(C)=CC=C1 NO12275 [0,2,0,0,0,0|1,0,1]=4 856 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 NO12231 [0,2,0,0,0,0|1,0,1]=4 857 B11R1.23 COC(=O)C1=NC(N)=CN=C1 DY509990 [0,2,0,0,0,0|1,0,1]=4 858 B11R1.24 CNCCC1=CC(C)=CC=C1 DY520263 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.24 OCCNC1=NC(Cl)=CC=C1 DY653604 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 DY558867 [0,2,0,0,0,0|1,0,1]=4 861 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 NO12495 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.182 C=CCC1=CC(C)=CN=C1Cl DY511029 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.182 CC1=CC(CCO)=C(C)C=C1 DY40742 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.182 CC1=NN(CCN)C(=O)C=C1 DY549939 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.182 CCNC1=NC(Br)=CN=C1N NO21262 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.182 CCOC1=C(Br)C=CC(C)=C1 DY451888 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.182 CCOC1=C(Br)N=CC(N)=C1 NO12418 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.182 CCOC1=CC(N)=CN=C1N DY657234 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.189 CCOC1=CC(C#N)=CN=C1 DY660008 [0,2,0,0,0,0|1,0,1]=4 870 B11R1.189 COC1=CC=CC(CCN)=C1 NO13916 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.189 COC1=CC=CC(CCO)=C1 NO22342 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.189 COC1=CN=CC(CC#N)=C1 DY654252 [0,2,0,0,0,0|1,0,1]=4 873 B11R1.189 COCC1=CC=CC(CN)=C1 NO15687 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.189 NCC1=CC=CC(CCO)=C1 NO17053 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.37 COC1=NC(N)=CN=C1C#N DY507560 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.37 COC1=NC=C(Br)N=C1OC NO14846 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.167 CC(=O)C1=NC(C)=CC=C1C DY111076 [0,2,0,0,0,0|1,0,1]=4 878 B11R1.167 CC(O)C1=CC(Br)=CN=C1Cl DY111360 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.167 CC1=CC(C(C)C)=C(O)C=C1 DY507343 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.167 CC1=CC([C@@H](C)N)=C(F)C=C1 DY621471 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 DY105730 [0,2,0,0,0,0|1,0,1]=4 882 B11R1.167 CN(C)C1=NC(Br)=CN=C1N NO21261 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.167 CN(C)C1=NC(F)=CN=C1F DY710587 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.277 CC1=NC(C)=C(C)N=C1C=O DY459732 [0,2,0,0,0,0|1,0,1]=4 885 B11R1.277 COC1=C(Cl)N=C(Cl)C(N)=N1 DY710389 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.277 COC1=NC(Br)=C(Cl)N=C1N DY709639 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.277 COC1=NC(C)=C(C)N=C1N DY710119 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.280 COC1=CC=C(N)C(OC)=N1 NO13926 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 NO16867 [0,2,0,0,0,0|1,0,1]=4 890 B11R1.21 CC1=C(F)C=CC([C@@H](C)N)=C1 DY621573 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 DY105194 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.155 CC(C)(O)C1=CC(Br)=CN=C1 NO14839 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.155 CC(C)(O)C1=NC(Br)=CC=C1 NO16576 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.155 NC1=NC(C(F)(F)F)=CN=C1 DY429624 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.266 CCC1=CC=CC(C(=O)O)=N1 NO21756 [0,2,0,0,0,0|1,0,1]=4 896 B11R1.266 CCc1cccc(C(C)=O)c1 DY584661 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.266 COC1=CN=CC(C(=O)O)=N1 NO14316 [0,2,0,0,0,0|1,0,1]=4 898 B11R1.266 COC1=NC(C(C)C)=CN=C1 DY799131 [0,2,0,0,0,0|0,0,0]=2 899 B11R1.279 COC1=CC=C(CN)C(C)=N1 DY651818 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.279 COC1=CC=C(CO)C(C)=N1 DY451786 [0,2,0,0,0,0|2,0,0]=4 901 B9R2.50 C1=CC=C2CCC2=C1 NO19267 [1,0,0,1,0,0|2,0,0]=4 902 B9R2.3 C1=NC=C2SCN=C12 DY673404 [0,0,0,1,1,0|2,0,0]=4 903 B9R2.3 C1=NNC2=C1CSC2 DY524469 [0,0,0,1,1,0|2,0,0]=4 904 B11R2.106 CC1=C2CNCC2=CC=C1 NO17946 [0,1,0,1,0,0|2,0,0]=4 905 B11R2.106 CC1=C2NCCC2=CC=C1 NO18412 [0,1,0,1,0,0|2,0,0]=4 906 B11R2.106 CC1=CC=CC2=NCCN12 DY760358 [0,1,0,1,0,0|1,0,1]=4 907 B11R2.106 ClC1=C2CCNC2=CN=C1 DY585263 [0,1,0,1,0,0|2,0,0]=4 908 B11R2.35 BrC1=NC(C2CC2)=CN=C1 DY710839 [0,1,0,1,0,0|1,0,0]=3 909 B11R2.36 BrC1=CN=C2CCCC2=C1 NO22164 [0,1,0,1,0,0|2,0,0]=4 910 B11R2.36 BrC1=CN=C2NCCC2=C1 DY533421 [0,1,0,1,0,0|2,0,0]=4 911 B11R2.36 BrC1=CN=C2NCCC2=C1 NO18623 [0,1,0,1,0,0|2,0,0]=4 912 B11R2.36 CC1=CC=C2CNCC2=C1 DY431420 [0,1,0,1,0,0|2,0,0]=4 913 B11R2.36 CC1=NC2=C(C=N1)CNC2 DY554301 [0,1,0,1,0,0|2,0,0]=4 914 B11R2.36 CC1=NC2=C(C=N1)CNC2 DY673137 [0,1,0,1,0,0|2,0,0]=4 915 B11R2.36 CC1=NC2=C(C=N1)CSC2 DY460242 [0,1,0,1,0,0|2,0,0]=4 916 B11R2.36 IC1=CN=C2CCCC2=C1 DY675123 [0,1,0,1,0,0|2,0,0]=4 917 B11R2.36 NC1=CN=C2CCCC2=C1 DY100354 [0,1,0,1,0,0|2,0,0]=4 918 B7R1.1 BrCC1=CSC=N1 DY583383 [1,0,0,0,1,0|2,0,0]=4 919 B7R1.1 BrCC1=NC=CS1 NO12090 [1,0,0,0,1,0|2,0,0]=4 920 B7R1.1 CCC1=NC=CN1 NO21533 [1,0,0,0,1,0|0,0,1]=3 921 B7R1.1 CCN1C=CC=N1 NO20681 [1,0,0,0,1,0|1,0,0]=3 922 B7R1.1 CNC1=CC=CS1 DY786838 [1,0,0,0,1,0|2,0,0]=4 923 B7R1.1 CNC1=NNC=C1 DY555147 [1,0,0,0,1,0|2,0,0]=4 924 B7R1.1 COC1=CC=CO1 DY759896 [1,0,0,0,1,0|2,0,0]=4 925 B7R1.1 COC1=CNC=N1 DY725797 [1,0,0,0,1,0|1,0,1]=4 926 B7R1.1 COC1=CSC=C1 NO22351 [1,0,0,0,1,0|2,0,0]=4 927 B7R1.1 COC1=NC=CS1 NO22597 [1,0,0,0,1,0|2,0,0]=4 928 B7R1.1 CSC1=NC=CO1 NO17723 [1,0,0,0,1,0|2,0,0]=4 929 B7R1.1 ClCC1=CC=CO1 NO13429 [1,0,0,0,1,0|2,0,0]=4 930 B7R1.1 ClCC1=CN=CO1 DY114644 [1,0,0,0,1,0|2,0,0]=4 931 B7R1.1 ClCC1=CN=CS1 NO16156 [1,0,0,0,1,0|2,0,0]=4 932 B7R1.1 ClCC1=CSC=N1 DY571191 [1,0,0,0,1,0|2,0,0]=4 933 B7R1.1 ClCC1=CSC=N1 DY586637 [1,0,0,0,1,0|2,0,0]=4 934 B7R1.1 ClCC1=NC=CN1 NO20896 [1,0,0,0,1,0|1,0,1]=4 935 B7R1.1 ClCN1C=CC=N1 DY644922 [1,0,0,0,1,0|2,0,0]=4 936 B7R1.1 NCC1=CC=CN1 NO14874 [1,0,0,0,1,0|1,0,1]=4 937 B7R1.1 NCC1=CC=CS1 NO22783 [1,0,0,0,1,0|2,0,0]=4 938 B7R1.1 NCC1=CN=CO1 NO17502 [1,0,0,0,1,0|2,0,0]=4 939 B7R1.1 NCC1=CN=CO1 NO18508 [1,0,0,0,1,0|2,0,0]=4 940 B7R1.1 NCC1=CN=CS1 DY517137 [1,0,0,0,1,0|2,0,0]=4 941 B7R1.1 NCC1=CNC=N1 NO15263 [1,0,0,0,1,0|1,0,1]=4 942 B7R1.1 NCC1=CNC=N1 NO16828 [1,0,0,0,1,0|1,0,1]=4 943 B7R1.1 NCC1=CON=C1 DY531627 [1,0,0,0,1,0|2,0,0]=4 944 B7R1.1 NCC1=CSC=C1 NO22417 [1,0,0,0,1,0|2,0,0]=4 945 B7R1.1 NCC1=CSC=N1 DY116268 [1,0,0,0,1,0|2,0,0]=4 946 B7R1.1 NCC1=NC=CO1 DY773829 [1,0,0,0,1,0|2,0,0]=4 947 B7R1.1 NCC1=NC=CS1 DY560307 [1,0,0,0,1,0|2,0,0]=4 948 B7R1.1 NCC1=NNC=C1 NO15493 [1,0,0,0,1,0|2,0,0]=4 949 B7R1.1 OCC1=CC=NO1 NO15343 [1,0,0,0,1,0|2,0,0]=4 950 B7R1.1 OCC1=CN=CS1 NO16191 [1,0,0,0,1,0|2,0,0]=4 951 B7R1.1 OCC1=CNN=C1 NO20094 [1,0,0,0,1,0|2,0,0]=4 952 B7R1.1 OCC1=COC=C1 NO22303 [1,0,0,0,1,0|2,0,0]=4 953 B7R1.1 OCC1=CSC=C1 NO18039 [1,0,0,0,1,0|2,0,0]=4 954 B7R1.1 OCC1=CSC=N1 NO22892 [1,0,0,0,1,0|2,0,0]=4 955 B7R1.1 OCC1=NC=NN1 DY116570 [1,0,0,0,1,0|2,0,0]=4 956 B7R1.1 OCN1C=CC=N1 NO11902 [1,0,0,0,1,0|2,0,0]=4 957 B7R1.1 OCN1C=CN=C1 DY726289 [1,0,0,0,1,0|2,0,0]=4 958 B7R1.2 CC1=CC(C)=NN1 NO19982 [1,0,0,0,1,0|2,0,0]=4 959 B7R1.2 CC1=CC(C)=NO1 NO14107 [1,0,0,0,1,0|2,0,0]=4 960 B7R1.2 CC1=CC=C(Br)O1 DY513585 [1,0,0,0,1,0|2,0,0]=4 961 B7R1.2 CC1=CC=C(Br)S1 NO22735 [1,0,0,0,1,0|2,0,0]=4 962 B7R1.2 CC1=CC=C(C)N1 NO21153 [1,0,0,0,1,0|0,0,1]=3 963 B7R1.2 CC1=CC=C(Cl)S1 DY451354 [1,0,0,0,1,0|2,0,0]=4 964 B7R1.2 CC1=CC=C(I)S1 DY530097 [1,0,0,0,1,0|2,0,0]=4 965 B7R1.2 CC1=CC=C(N)S1 DY787300 [1,0,0,0,1,0|2,0,0]=4 966 B7R1.2 CC1=CC=C(N)S1 DY787384 [1,0,0,0,1,0|2,0,0]=4 967 B7R1.2 CC1=CN(C)N=C1 NO20542 [1,0,0,0,1,0|2,0,0]=4 968 B7R1.2 CC1=CN=C(Br)S1 NO12301 [1,0,0,0,1,0|2,0,0]=4 969 B7R1.2 CC1=CN=C(C)S1 NO22782 [1,0,0,0,1,0|1,0,0]=3 970 B7R1.2 CC1=CN=C(N)S1 NO21821 [1,0,0,0,1,0|2,0,0]=4 971 B7R1.2 CC1=CNC(C)=N1 NO21117 [1,0,0,0,1,0|0,0,1]=3 972 B7R1.2 CC1=COC(C)=N1 DY568869 [1,0,0,0,1,0|1,0,0]=3 973 B7R1.2 CC1=CSC(Br)=N1 NO18300 [1,0,0,0,1,0|2,0,0]=4 974 B7R1.2 CC1=CSC(C)=N1 NO22781 [1,0,0,0,1,0|1,0,0]=3 975 B7R1.2 CC1=CSC(I)=N1 DY549783 [1,0,0,0,1,0|2,0,0]=4 976 B7R1.2 CC1=CSC(N)=N1 DY785716 [1,0,0,0,1,0|2,0,0]=4 977 B7R1.2 CC1=NC(Br)=CS1 DY547065 [1,0,0,0,1,0|2,0,0]=4 978 B7R1.2 CC1=NC(N)=CO1 DY773883 [1,0,0,0,1,0|2,0,0]=4 979 B7R1.2 CC1=NC=C(I)N1 NO19295 [1,0,0,0,1,0|1,0,1]=4 980 B7R1.2 CC1=NC=C(N)N1 DY445566 [1,0,0,0,1,0|1,0,1]=4 981 B7R1.2 CC1=NC=C(N)S1 NO15937 [1,0,0,0,1,0|2,0,0]=4 982 B7R1.2 CC1=NN=C(C)O1 NO15161 [1,0,0,0,1,0|2,0,0]=4 983 B7R1.2 CC1=NOC(Br)=N1 DY582975 [1,0,0,0,1,0|2,0,0]=4 984 B7R1.2 CN1C=CC(Br)=N1 NO20720 [1,0,0,0,1,0|2,0,0]=4 985 B7R1.2 CN1C=NC(Br)=N1 NO22130 [1,0,0,0,1,0|2,0,0]=4 986 B7R1.2 CN1N=CC(Br)=N1 NO17389 [1,0,0,0,1,0|2,0,0]=4 987 B7R1.4 CC1=C(Br)C=NN1 NO16927 [1,0,0,0,1,0|2,0,0]=4 988 B7R1.4 CC1=C(N)C=NN1 DY605875 [1,0,0,0,1,0|2,0,0]=4 989 B7R1.4 CC1=C(N)C=NN1 DY609385 [1,0,0,0,1,0|2,0,0]=4 990 B7R1.4 CC1=CNN=C1C NO13346 [1,0,0,0,1,0|1,0,1]=4 991 B7R1.4 CN1C=NC=C1Br NO17783 [1,0,0,0,1,0|2,0,0]=4 992 B7R1.4 CN1C=NC=C1I NO16077 [1,0,0,0,1,0|2,0,0]=4 993 B7R1.4 CN1C=NC=C1N NO17122 [1,0,0,0,1,0|2,0,0]=4