0 B9R1.15 BrCC1=C(Br)C=CC=C1 DY20808 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 BrCC1=C(I)C=CC=C1 DY40561 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 CC1=C(CBr)C=CC=C1 NO14791 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 CC1=C(CBr)C=NC=C1 DY656650 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CC1=C(CBr)C=NC=C1 NO17496 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 CC1=C(CN)C=NC=C1 NO20204 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CC1=C(NN)C=CC=C1 DY788973 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CC1=C(NN)C=CC=C1 NO19575 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 CC1=CC=CC=C1C=O NO19114 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.15 CC1=CC=CN=C1C#N NO20234 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.15 CC1=CC=CN=C1C=O NO14987 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.15 CC1=CC=CN=C1CCl NO15725 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.15 CC1=CC=CN=C1CO NO19225 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.15 CC1=NC=CC=C1CBr DY520989 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.15 CC1=NC=CC=C1CO NO20145 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.15 CCC1=C(Br)C=CC=C1 NO20980 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 CCC1=C(C)C=CC=C1 NO21536 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.15 CCC1=C(I)C=CC=C1 DY534201 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.15 CCC1=C(N)C=NC=C1 DY658535 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 CCC1=CC=CN=C1C DY522489 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.15 CCC1=CN=CN=C1Cl DY559413 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.15 CCC1=NC=CN=C1Cl NO21430 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.15 CCC1=NC=NC=C1F NO19573 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.15 CNC1=C(Br)C=CC=C1 DY584260 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.15 CNC1=C(F)C=CC=C1 NO13895 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.15 CNC1=CC=CC=C1N NO22302 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.15 CNC1=NC=CC=C1Br NO17281 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.15 COC1=C(Br)C=CC=C1 NO19150 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.15 COC1=C(C)C=CC=C1 DY561483 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.15 COC1=C(F)C=CC=C1 NO19904 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.15 COC1=C(N)C=CC=C1 NO11812 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.15 COC1=CC=CN=C1Br NO19255 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.15 COC1=CC=CN=C1Cl NO19305 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.15 COC1=CC=CN=C1F NO13044 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.15 COC1=CC=CN=C1N NO17216 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.15 COC1=CN=CN=C1Br NO17880 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.15 COC1=CN=CN=C1N NO13116 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.15 COC1=NC=CC=C1Br DY715700 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.15 COC1=NC=CC=C1Br NO19258 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.15 COC1=NC=CC=C1Cl NO18705 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.15 COC1=NC=CC=C1F NO19564 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.15 COC1=NC=CC=C1I NO13512 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.15 COC1=NC=CC=C1N NO19526 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.15 COC1=NC=CN=C1Br NO12288 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.15 COC1=NC=CN=C1Cl NO14291 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.15 COC1=NC=CN=C1N DY441119 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.15 CSC1=CC=CN=C1Cl DY452032 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.15 ClC1=C(CBr)C=CC=C1 NO19190 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.15 ClC1=CC=CN=C1CBr DY116292 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.15 ClC1=NC=CN=C1CBr DY709861 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.15 ClCC1=C(Br)C=CC=C1 DY584533 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.15 ClCC1=C(Cl)C=CC=C1 NO19964 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.15 ClCC1=NC=CC=C1Br DY656902 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.15 ClCC1=NC=CN=C1Cl NO12698 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.15 FC1=C(CBr)C=CC=C1 NO21562 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.15 N#CC1=C(Cl)N=CC=C1 NO18689 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.15 N#CC1=CC=CN=C1Br NO14990 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.15 N#CC1=CC=CN=C1N NO22990 [0,0,0,0,0,0|3,0,1]=4 58 B9R1.15 N#CC1=CC=CN=C1O NO13920 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.15 N#CC1=NC=CC=C1Br NO14847 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.15 N#CC1=NC=CC=C1Cl NO18276 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.15 N#CC1=NC=CC=C1I NO12161 [0,0,0,0,0,0|3,0,1]=4 62 B9R1.15 N#CC1=NC=CC=C1O NO21861 [0,0,0,0,0,0|3,0,1]=4 63 B9R1.15 N#CC1=NC=CN=C1Br DY443142 [0,0,0,0,0,0|2,0,1]=3 64 B9R1.15 N#CC1=NC=CN=C1Cl NO22668 [0,0,0,0,0,0|2,0,1]=3 65 B9R1.15 N#CC1=NC=CN=C1N NO22107 [0,0,0,0,0,0|2,0,1]=3 66 B9R1.15 N#CC1=NC=CN=C1O DY710797 [0,0,0,0,0,0|2,0,1]=3 67 B9R1.15 NC1=C(C=O)C=CC=N1 NO19340 [0,0,0,0,0,0|3,0,1]=4 68 B9R1.15 NC1=C(CO)C=CC=C1 NO19122 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.15 NC1=NC=CC=C1CO NO13983 [0,0,0,0,0,0|3,0,0]=3 70 B9R1.15 NC1=NC=CN=C1C=O NO13122 [0,0,0,0,0,0|2,0,1]=3 71 B9R1.15 NCC1=C(Br)C=CC=C1 NO19534 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.15 NCC1=C(F)C=CC=C1 DY40826 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.15 NCC1=C(N)C=CC=C1 DY40796 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.15 NCC1=C(O)C=CC=C1 NO20889 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.15 NCC1=CC=CN=C1F DY538641 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.15 NCC1=NC=CC=C1Br DY713191 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.15 NCC1=NC=CC=C1N DY654384 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.15 NCC1=NC=CN=C1Cl NO14522 [0,0,0,0,0,0|2,0,0]=2 79 B9R1.15 NCC1=NC=CN=C1Cl NO14728 [0,0,0,0,0,0|2,0,0]=2 80 B9R1.15 NNC1=CC=CN=C1Br DY715022 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.15 NNC1=NC=CC=C1Cl NO20171 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.15 O=CC1=C(Br)N=CC=C1 NO17915 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.15 O=CC1=C(Cl)N=CC=C1 NO14208 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.15 O=CC1=C(F)N=CC=C1 NO18263 [0,0,0,0,0,0|3,0,1]=4 85 B9R1.15 O=CC1=C(O)N=CC=C1 NO19011 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.15 OCC1=C(Br)C=CC=C1 NO18828 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.15 OCC1=C(Cl)C=CC=C1 NO21494 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.15 OCC1=C(I)C=CC=C1 NO19102 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.15 OCC1=C(O)C=CC=C1 NO16243 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.15 OCC1=CC=CN=C1Cl NO14328 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.15 OCC1=CC=CN=C1F NO18697 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.15 OCC1=NC=CC=C1Cl NO17318 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.15 OCC1=NC=CC=C1O DY20200 [0,0,0,0,0,0|3,0,0]=3 94 B8R1.2 BrCC1=CC=CN=N1 NO15758 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.2 BrCC1=CN=CN=C1 NO17938 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.2 BrCC1=NC=CN=C1 DY710893 [1,0,0,0,0,0|1,0,0]=2 97 B8R1.2 C#CC1=NC=CC=C1 NO21539 [1,0,0,0,0,0|1,0,2]=4 98 B8R1.2 C=CC1=CC=CN=C1 DY507011 [1,0,0,0,0,0|1,0,2]=4 99 B8R1.2 CCC1=CC=CN=C1 NO22277 [1,0,0,0,0,0|1,0,0]=2 100 B8R1.2 CCC1=NC=CN=C1 NO21534 [1,0,0,0,0,0|0,0,0]=1 101 B8R1.2 CNC1=CC=CC=C1 NO11792 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.2 CNC1=CC=CN=C1 NO13856 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.2 CNC1=CN=CN=C1 DY553401 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.2 COC1=CC=CN=C1 NO22348 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.2 COC1=CC=CN=N1 NO22347 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.2 COC1=NC=CC=C1 NO18780 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.2 COC1=NC=CN=C1 NO17887 [1,0,0,0,0,0|1,0,0]=2 108 B8R1.2 CSC1=NC=CC=N1 DY573207 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 CSC1=NC=CN=C1 DY541389 [1,0,0,0,0,0|1,0,0]=2 110 B8R1.2 ClCC1=CC=CN=C1 NO19291 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.2 ClCC1=CC=CN=N1 NO16004 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.2 ClCC1=NC=CC=C1 NO19289 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.2 ClCC1=NC=CC=N1 NO20902 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.2 ICC1=CC=CC=C1 NO11000 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.2 N#CC1=CN=CC=C1 NO22263 [1,0,0,0,0,0|2,0,1]=4 116 B8R1.2 N#CC1=NC=CC=C1 NO19642 [1,0,0,0,0,0|2,0,1]=4 117 B8R1.2 N#CC1=NC=CN=C1 NO17380 [1,0,0,0,0,0|1,0,1]=3 118 B8R1.2 NCC1=CC=CN=C1 NO14226 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.2 NCC1=CN=NC=C1 NO15014 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.2 NCC1=CN=NC=C1 NO15515 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.2 NCC1=NC=CC=C1 DY663911 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.2 NCC1=NC=CC=N1 NO21304 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.2 NCC1=NC=CN=C1 DY710323 [1,0,0,0,0,0|1,0,0]=2 124 B8R1.2 NCC1=NC=CN=C1 NO19691 [1,0,0,0,0,0|1,0,0]=2 125 B8R1.2 NCC1=NC=CN=C1 NO20245 [1,0,0,0,0,0|1,0,0]=2 126 B8R1.2 NNC1=CC=CN=C1 NO15491 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 NNC1=CC=CN=C1 NO22308 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.2 NNC1=NC=CC=C1 NO15589 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.2 NNC1=NC=CC=C1 NO21573 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.2 O=CC1=CN=CC=C1 NO19090 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.2 O=CC1=NC=CC=C1 NO18610 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.2 O=CC1=NC=CN=C1 NO18375 [1,0,0,0,0,0|1,0,1]=3 133 B8R1.2 OCC1=CC=CN=C1 NO22409 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.2 OCC1=CC=CN=N1 NO21870 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.2 OCC1=CN=CN=C1 DY444370 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.2 OCC1=NC=CC=C1 NO19164 [1,0,0,0,0,0|2,0,0]=3 137 B8R1.2 OCC1=NC=CC=N1 NO19924 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.2 OCC1=NC=CN=C1 NO21749 [1,0,0,0,0,0|1,0,0]=2 139 B8R1.2 OCC1=NC=NC=C1 NO11915 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.5 BrC1=CC=CN=C1Br NO22670 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.5 BrC1=NC=CC=C1I DY110926 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.5 BrC1=NC=CN=C1Br NO12573 [1,0,0,0,0,0|2,0,0]=3 143 B8R1.5 CC1=C(Br)C=CC=C1 DY20187 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.5 CC1=C(F)C=CC=C1 DY41519 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.5 CC1=C(I)C=CC=C1 NO19198 [1,0,0,0,0,0|3,0,0]=4 146 B8R1.5 CC1=CC=CC=C1C DY41549 [1,0,0,0,0,0|2,0,0]=3 147 B8R1.5 CC1=CC=CC=C1N NO20592 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.5 CC1=CC=CC=C1O NO11813 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.5 CC1=CC=CN=C1Br NO23002 [1,0,0,0,0,0|2,0,0]=3 150 B8R1.5 CC1=CC=CN=C1C NO21050 [1,0,0,0,0,0|1,0,0]=2 151 B8R1.5 CC1=CC=CN=C1Cl NO13857 [1,0,0,0,0,0|2,0,0]=3 152 B8R1.5 CC1=CC=CN=C1F NO19328 [1,0,0,0,0,0|2,0,0]=3 153 B8R1.5 CC1=CC=CN=C1N NO13775 [1,0,0,0,0,0|2,0,0]=3 154 B8R1.5 CC1=CN=CN=C1Br NO12572 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.5 CC1=CN=CN=C1Cl NO19938 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.5 CC1=CN=CN=C1N NO12501 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.5 CC1=CN=CN=C1O NO10459 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.5 CC1=NC=CC=C1Br DY20012 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.5 CC1=NC=CC=C1F NO19850 [1,0,0,0,0,0|2,0,0]=3 160 B8R1.5 CC1=NC=CC=C1N NO19518 [1,0,0,0,0,0|2,0,0]=3 161 B8R1.5 CC1=NC=CN=C1Br NO12416 [1,0,0,0,0,0|1,0,0]=2 162 B8R1.5 CC1=NC=CN=C1C NO10108 [1,0,0,0,0,0|0,0,0]=1 163 B8R1.5 CC1=NC=CN=C1Cl NO17680 [1,0,0,0,0,0|1,0,0]=2 164 B8R1.5 CC1=NC=CN=C1N NO21232 [1,0,0,0,0,0|1,0,0]=2 165 B8R1.5 CC1=NC=CN=C1O NO21577 [1,0,0,0,0,0|1,0,0]=2 166 B8R1.5 CC1=NC=NC=C1Br NO11920 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.5 CC1=NC=NC=C1I NO12766 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.5 CC1=NC=NC=C1N NO19908 [1,0,0,0,0,0|3,0,0]=4 169 B8R1.5 CN1N=CC=CC1=O DY736910 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.5 ClC1=CC=CN=C1Br NO17272 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.5 ClC1=CC=CN=C1Cl NO13373 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.5 ClC1=NC=CC=C1Br NO22671 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.5 ClC1=NC=CC=C1I NO22694 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.5 FC1=CC=CN=C1Br NO14296 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.5 FC1=CC=CN=C1Cl NO17308 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.5 FC1=CC=CN=C1F NO18753 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.5 FC1=NC=CC=C1Br NO14198 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.5 FC1=NC=CC=C1Cl NO18743 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.5 FC1=NC=CC=C1I NO21866 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.5 IC1=NC=CN=C1I DY709897 [1,0,0,0,0,0|2,0,0]=3 181 B8R1.5 NC1=CC=CN=C1Br NO22729 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.5 NC1=CC=CN=C1Cl NO17686 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.5 NC1=CC=CN=C1F NO22742 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.5 NC1=CC=CN=C1I NO18159 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.5 NC1=CC=CN=C1N NO21785 [1,0,0,0,0,0|3,0,0]=4 186 B8R1.5 NC1=NC=CC=C1Br NO17634 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.5 NC1=NC=CC=C1Cl NO17664 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.5 NC1=NC=CC=C1F NO13951 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.5 NC1=NC=CC=C1I NO13464 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.5 NC1=NC=CC=C1O NO22765 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.5 NC1=NC=CN=C1Br NO21229 [1,0,0,0,0,0|2,0,0]=3 192 B8R1.5 NC1=NC=CN=C1Cl NO18423 [1,0,0,0,0,0|2,0,0]=3 193 B8R1.5 NC1=NC=CN=C1F DY710113 [1,0,0,0,0,0|2,0,0]=3 194 B8R1.5 NC1=NC=CN=C1I NO12456 [1,0,0,0,0,0|2,0,0]=3 195 B8R1.5 NC1=NC=CN=C1N DY517323 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.5 NC1=NC=CN=C1O NO21231 [1,0,0,0,0,0|2,0,0]=3 197 B8R1.5 OC1=CC=CN=C1Cl NO17508 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.5 OC1=CC=CN=C1F NO13836 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.5 OC1=CC=CN=C1I NO14294 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.5 OC1=NC=CC=C1Br NO18703 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.2 CC1=C(Br)C=CC=C1CBr DY584771 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.2 CC1=C(CBr)C=CC=C1I DY584958 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.2 CC1=C(CN)C=CC=C1Br DY769683 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.2 CC1=C(CO)C=CC=C1Cl DY452962 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.2 CC1=C(CO)C=CC=C1I DY584812 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.2 CC1=C(CO)C=CC=C1N DY584258 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.2 CC1=C(F)C=CN=C1C=O DY431962 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.2 CC1=CC=CC(CBr)=C1C NO10894 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.2 CC1=CC=CC(CO)=C1C NO20113 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.2 CCC1=C(F)C(Cl)=NC=N1 NO23008 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.2 CCC1=C(F)C(O)=NC=N1 DY20494 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.2 CCC1=C(O)C(C)=CC=C1 DY584282 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.2 COC1=C(C)C(C)=CC=C1 DY20206 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.2 COC1=C(C)C(O)=NC=N1 DY523593 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.2 COC1=CC=CC(Br)=C1C DY442371 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.2 COC1=CC=CC(N)=C1C NO10556 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.2 COC1=NC=CC(N)=C1C DY655916 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.2 COC1=NC=CC(N)=C1Cl DY657102 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 DY20573 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.2 CSC1=C(C)C(Cl)=NC=N1 DY518661 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.2 CSC1=NC=CC(=O)N1C DY693712 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.4 CC1=NC=CC=C1CCN DY653840 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.4 CCCC1=CN=CN=C1Cl DY544407 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.4 CCOC1=C(Br)C=CC=C1 DY20149 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.4 CCOC1=C(C)C=CN=C1 DY711121 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.4 CCOC1=C(F)C=CC=C1 DY452620 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.4 CCOC1=CC=CN=C1Br DY712381 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.4 CCOC1=CC=CN=C1Cl DY564873 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.4 CCOC1=CN=CN=C1N NO17842 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.4 CCOC1=NC=CC=C1Br DY452812 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.4 CCOC1=NC=CN=C1N NO21230 [0,1,0,0,0,0|1,0,0]=2 232 B10R1.4 CNCC1=C(Br)C=CC=C1 DY455892 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.4 CNCC1=CC=CN=C1C DY711673 [0,1,0,0,0,0|1,0,0]=2 234 B10R1.4 CNCC1=CC=CN=C1Cl DY610776 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.4 N#CCC1=CC=CN=C1Br DY447479 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.4 N#CCC1=CC=CN=C1Cl NO13165 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.4 N#CCC1=NC=CC=C1Cl DY534597 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.4 NCCC1=C(Br)C=CC=C1 NO15138 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.4 NCCC1=C(F)C=CC=C1 NO14793 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.4 NCCC1=C(N)C=CC=C1 DY584423 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.4 NCCC1=C(N)C=CC=C1 NO15970 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.4 NCCC1=CC=CN=C1Cl DY585655 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.4 OCCC1=C(Br)C=CC=C1 NO21407 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.4 OCCC1=C(I)C=CC=C1 DY545007 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.20 BrCC1=C(CBr)C=CC=C1 DY20537 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.20 CCC1=C(C=O)C=CC=C1 DY20141 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.20 CCC1=C(CO)C=CC=C1 DY451342 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.20 CCC1=C(NN)C=CC=C1 NO15134 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.20 CNC1=C(OC)C=CC=C1 DY790233 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.20 COC1=C(C=O)C=CC=N1 NO20317 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.20 COC1=C(CCl)C=CC=C1 DY20247 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.20 COC1=C(CN)C=CC=C1 NO15681 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.20 COC1=C(OC)C=CC=C1 NO12067 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.20 COC1=CC=CN=C1C#N DY10410 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.20 COC1=CC=CN=C1CBr NO13321 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.20 COC1=CC=CN=C1CN NO18076 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.20 COC1=CC=CN=C1CO DY558123 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.20 COC1=CC=CN=C1OC NO14783 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.20 COC1=CN=CN=C1OC DY568485 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.20 COC1=NC=CC=C1CCl DY606789 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.20 COC1=NC=CC=C1CCl NO16832 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.20 COC1=NC=CC=C1CN NO14780 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.20 COC1=NC=CC=C1CN NO17327 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.20 COC1=NC=CC=C1CO NO13650 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.20 COC1=NC=CN=C1OC DY710611 [0,1,0,0,0,0|1,0,0]=2 266 B10R1.20 ClCC1=C(CCl)C=CC=C1 DY563247 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.20 ICC1=NC=CN=C1CI DY710833 [0,1,0,0,0,0|1,0,0]=2 268 B10R1.20 N#CC1=C(CBr)N=CC=C1 NO16812 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.20 N#CC1=NC=CC=C1CBr NO22182 [0,1,0,0,0,0|2,0,1]=4 270 B10R1.20 NCC1=C(CO)C=CC=C1 NO13269 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.20 OCC1=C(CBr)C=CC=C1 NO17090 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.20 OCC1=CC=CN=C1CO DY554235 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.25 C#CC1=NC=C(F)C=C1C DY714608 [0,1,0,0,0,0|1,0,2]=4 274 B10R1.25 CC1=C(C#N)C=CC(Br)=N1 DY20334 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.25 CC1=C(C#N)C=CC(F)=N1 DY20007 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 DY443390 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.25 CC1=C(C=O)C=CC(N)=N1 DY430302 [0,1,0,0,0,0|2,0,1]=4 278 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 DY584433 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.25 CC1=C(CCl)N=NC(Cl)=C1 DY514803 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.25 CC1=C(CO)C=CC(O)=C1 DY449770 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.25 CC1=CC(Br)=CN=C1C#N NO13175 [0,1,0,0,0,0|2,0,1]=4 282 B10R1.25 CC1=CC(C)=C(CBr)C=C1 NO21116 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.25 CC1=CC(C)=C(CO)C=C1 DY744535 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.25 CC1=CC(Cl)=CN=C1C#N NO15581 [0,1,0,0,0,0|2,0,1]=4 285 B10R1.25 CC1=CC(F)=CN=C1CN DY651571 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.25 CC1=CC=C(CBr)C(Cl)=N1 DY585656 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.25 CC1=CN=C(CCl)C(C)=C1 NO16524 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.25 CC1=NC(Cl)=CC=C1C=O DY453082 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.25 CCC1=CN=C(Cl)N=C1Cl NO15019 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.25 CCc1ncc(C)nc1C DY793773 [0,1,0,0,0,0|0,0,0]=1 291 B10R1.25 CNC1=NC=C(C)C=C1Br DY716366 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.25 COC1=C(C)C=C(Br)C=C1 NO22652 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.25 COC1=C(C)C=C(N)C=C1 NO18714 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.25 COC1=C(C)C=C(N)C=N1 NO15363 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.25 COC1=C(C)N=C(N)C=N1 DY710815 [0,1,0,0,0,0|1,0,0]=2 296 B10R1.25 COC1=C(Cl)C=C(N)C=N1 NO17094 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.25 COC1=C(F)C=C(N)C=N1 NO15127 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.25 COC1=CC=C(C)N=C1I DY527061 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.25 COC1=CN=C(C)N=C1C NO16889 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.25 COC1=NC=C(Br)C=C1Br NO18704 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.25 COC1=NC=C(Br)C=C1C NO17558 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.25 COC1=NC=C(Br)C=C1Cl NO19358 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.25 COC1=NC=C(Br)C=C1F NO17560 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.25 COC1=NC=C(Br)C=C1N DY451156 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.25 COC1=NC=C(Br)C=C1N NO17340 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.25 COC1=NC=C(C)C=C1Br NO12715 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.25 COC1=NC=C(C)N=C1C NO15176 [0,1,0,0,0,0|1,0,0]=2 308 B10R1.25 COC1=NC=C(Cl)C=C1Br NO17800 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.25 COC1=NC=C(F)C=C1Br NO19396 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.25 COC1=NC=C(F)C=C1F DY508988 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.25 COC1=NC=C(N)C=C1Br DY20010 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.25 CSC1=C(C)C=C(O)C=C1 DY20571 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.25 FC1=CC(Br)=CN=C1CCl DY659480 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.25 N#CC1=NC=C(Cl)N=C1Cl NO12637 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.25 N#CC1=NC=C(N)N=C1Cl DY550089 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.25 NCC1=NC=C(F)C=C1Cl DY651055 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.25 NNC1=NC=C(Br)N=C1Cl DY574491 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.25 O=CC1=NC=C(Br)N=C1Cl DY533973 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.25 OCC1=NC=C(Cl)C=C1Br DY432496 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.25 OCC1=NC=C(Cl)C=C1F DY104426 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.25 OCC1=NC=C(F)C=C1Cl DY116262 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.30 C#CC1=NC(Br)=CN=C1N NO12180 [0,1,0,0,0,0|1,0,2]=4 323 B10R1.30 CC1=C(CCl)C=C(F)C=C1 DY584262 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.30 CC1=C(CO)C=C(F)C=C1 DY452638 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.30 CC1=CC(CBr)=C(C)C=C1 DY584839 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.30 CC1=CC(CN)=C(C)C=C1 DY20405 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.30 CC1=CC=C(Cl)N=C1C#N NO15377 [0,1,0,0,0,0|2,0,1]=4 328 B10R1.30 CC1=CN=C(Cl)C(CCl)=C1 DY655318 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.30 CC1=NC=C(Br)C=C1CN DY656602 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.30 CC1=NC=C(Br)C=C1CO DY518829 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.30 CCC1=NC(C)=CC=C1O NO13984 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.30 CCC1=NC(C)=CN=C1C DY710767 [0,1,0,0,0,0|0,0,0]=1 333 B10R1.30 CCC1=NC(Cl)=NC=C1C DY606669 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.30 COC1=C(Br)C=CC(N)=N1 DY429703 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.30 COC1=C(Br)N=CC(N)=C1 NO12409 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.30 COC1=CC(Br)=CN=C1Cl NO10254 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.30 COC1=CC(Br)=CN=C1N NO14023 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.30 COC1=CC(C)=CN=C1O DY657387 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.30 COC1=NC(Br)=CC=C1Br DY533289 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.30 COC1=NC(Br)=CC=C1N NO18540 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.30 COC1=NC(Br)=CN=C1I NO16000 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.30 COC1=NC(Br)=CN=C1N NO12445 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.30 COC1=NC(Br)=CNC1=O DY578181 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.30 COC1=NC(C)=CC=C1Br NO19284 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.30 COC1=NC(Cl)=CC=C1Br NO16211 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.30 COC1=NC(Cl)=CC=C1N NO10669 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.30 COC1=NC(Cl)=CN=C1N NO12869 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.30 COC1=NC(F)=CC=C1Br DY429643 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.30 CSC1=C(C)C=CC(Br)=C1 DY452878 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.30 CSC1=CC(F)=CN=C1Br DY715124 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.30 FC1=CC=C(Br)N=C1CBr DY509870 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.30 FC1=NC=C(Cl)C=C1CBr DY452554 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.30 N#CC1=NC(Br)=CN=C1N NO18047 [0,1,0,0,0,0|2,0,1]=4 354 B10R1.30 N#CC1=NC(Cl)=CN=C1Cl NO16841 [0,1,0,0,0,0|2,0,1]=4 355 B10R1.30 N#CC1=NC(Cl)=CN=C1N NO12855 [0,1,0,0,0,0|2,0,1]=4 356 B10R1.30 N#CC1=NC(I)=CN=C1Br DY710101 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.30 NC1=NC=C(Br)C=C1CO DY20496 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.30 NC1=NC=C(Br)N=C1C=O NO15016 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.30 NCC1=NC(Cl)=CC=C1Br DY651043 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.30 NCC1=NC(Cl)=CC=C1Cl DY651001 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.30 OCC1=CC(Br)=CN=C1Br DY432612 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.30 OCC1=CC(Cl)=CN=C1Br DY450346 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.61 CC(=O)C1=C(C)C=CC=C1 NO19710 [0,1,0,0,0,0|2,0,1]=4 364 B10R1.61 CC(=O)C1=CC=CN=C1Br NO18506 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.61 CC(=O)C1=CC=CN=C1C DY652208 [0,1,0,0,0,0|1,0,1]=3 366 B10R1.61 CC(=O)C1=CC=CN=C1Cl NO18365 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.61 CC(=O)C1=CN=CN=C1C NO17792 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.61 CC(=O)C1=NC=CC=C1Br NO16209 [0,1,0,0,0,0|2,0,1]=4 369 B10R1.61 CC(=O)C1=NC=CC=C1F NO16198 [0,1,0,0,0,0|2,0,1]=4 370 B10R1.61 CC(=O)C1=NC=CC=C1O NO14450 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.61 CC(=O)C1=NC=CN=C1N NO15534 [0,1,0,0,0,0|1,0,1]=3 372 B10R1.61 CC(C)C1=C(Br)C=CC=C1 NO19988 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.61 CC(N)C1=CC=CN=C1F DY714055 [0,1,0,0,0,0|2,0,0]=3 374 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NO18975 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.61 CC1=C(C(C)N)C=CC=C1 DY788943 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.61 CC1=C(C(N)=O)C=CC=N1 NO22408 [0,1,0,0,0,0|2,0,1]=4 377 B10R1.61 CC1=C([C@H](C)O)C=CC=C1 DY822244 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.61 CC1=CC=CN=C1C(=O)O NO19680 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.61 CC1=CC=CN=C1C(C)N DY604773 [0,1,0,0,0,0|1,0,0]=2 380 B10R1.61 CC1=CC=CN=C1C(N)=O DY657435 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] DY10428 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.61 CC1=NC=CN=C1C(=O)O NO19744 [0,1,0,0,0,0|1,0,1]=3 383 B10R1.61 CC1=NC=CN=C1N(C)C DY710281 [0,1,0,0,0,0|1,0,0]=2 384 B10R1.61 CN(C)C1=NC=CC=C1N DY606531 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.61 CN(C)C1=NC=CN=C1N NO21223 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 DY516003 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.61 C[C@@H](N)C1=NC=CC=C1Br DY621531 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 NO13547 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 DY459372 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 NO20301 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 NO20318 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 NO15513 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 DY548415 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.61 C[C@H](O)C1=CC=CN=C1N DY581181 [0,1,0,0,0,0|2,0,0]=3 395 B10R1.61 FC1=NC=CC=C1C(F)F DY713419 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.61 NC(=O)C1=NC=CN=C1Cl NO15991 [0,1,0,0,0,0|2,0,1]=4 397 B10R1.61 NC(=O)C1=NC=CN=C1N NO14571 [0,1,0,0,0,0|2,0,1]=4 398 B10R1.61 NC1=NC=CN=C1C(=O)O NO22108 [0,1,0,0,0,0|2,0,1]=4 399 B10R1.61 NC1=NC=CN=C1[N+](=O)[O-] DY710125 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.61 O=C(O)C1=NC=CN=C1Br NO12631 [0,1,0,0,0,0|2,0,1]=4 401 B10R1.61 O=C(O)C1=NC=CN=C1Cl NO17325 [0,1,0,0,0,0|2,0,1]=4 402 B10R1.61 O=C(O)C1=NC=CN=C1I NO14926 [0,1,0,0,0,0|2,0,1]=4 403 B10R1.61 O=C(O)C1=NC=CN=C1O NO17542 [0,1,0,0,0,0|2,0,1]=4 404 B10R1.245 CC1=C(C=O)C(Br)=CC=N1 DY713119 [0,1,0,0,0,0|2,0,1]=4 405 B10R1.245 CC1=CC=CC(C)=C1CCl DY20793 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.245 CC1=CC=CC(C)=C1CN NO21184 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.245 CC1=CC=CC(C)=C1CO NO10906 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.245 CCC1=C(O)C=CC=C1N DY442227 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.245 COC1=C(Cl)C=CC=C1C DY822112 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.245 COC1=C(Cl)C=CN=C1N DY658414 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.245 COC1=C(I)C=CN=C1Br DY655126 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.245 COC1=C(N)C=CN=C1C DY608435 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.245 Cc1cccc(Br)c1CBr DY584783 [0,1,0,0,0,0|3,0,0]=4 414 B10R2.7 C1=CC2=C(C=C1)CSC2 DY114506 [0,0,0,1,0,0|3,0,0]=4 415 B10R2.7 C1=CC2=C(C=C1)OCC2 NO20929 [0,0,0,1,0,0|3,0,0]=4 416 B10R2.7 C1=CC=C2CNCC2=C1 NO11516 [0,0,0,1,0,0|3,0,0]=4 417 B10R2.7 C1=CC=C2NCCC2=C1 NO19084 [0,0,0,1,0,0|3,0,0]=4 418 B10R2.7 C1=CN=C2CCCC2=C1 NO14838 [0,0,0,1,0,0|1,0,0]=2 419 B10R2.7 C1=CN=C2CCNC2=C1 DY107728 [0,0,0,1,0,0|2,0,0]=3 420 B10R2.7 C1=CN=C2CN=NC2=C1 DY675469 [0,0,0,1,0,0|3,0,0]=4 421 B10R2.7 C1=CN=C2CNCC2=C1 DY565581 [0,0,0,1,0,0|2,0,0]=3 422 B10R2.7 C1=CN=C2CNCC2=C1 NO15341 [0,0,0,1,0,0|2,0,0]=3 423 B10R2.7 C1=CN=C2NC=CC2=N1 NO22516 [0,0,0,1,0,0|1,0,2]=4 424 B10R2.7 C1=CN=C2NC=NC2=N1 DY545763 [0,0,0,1,0,0|2,0,1]=4 425 B10R2.7 C1=CN=C2NN=CC2=N1 NO14372 [0,0,0,1,0,0|2,0,1]=4 426 B10R2.7 C1=CN=C2SC=CC2=N1 NO12514 [0,0,0,1,0,0|1,0,2]=4 427 B10R2.7 C1=NC=NC2=C1CNC2 NO12384 [0,0,0,1,0,0|3,0,0]=4 428 B10R2.320 BrC1CC2=CC=CC=C21 DY539943 [0,0,0,1,0,0|3,0,0]=4 429 B8R1.11 C#CC1=C(C)N=CS1 DY785770 [0,0,0,0,1,0|1,0,2]=4 430 B8R1.11 C=CC1=C(C)N=CS1 DY531999 [0,0,0,0,1,0|1,0,2]=4 431 B8R1.11 CC1=C(C=O)C=CO1 DY759980 [0,0,0,0,1,0|2,0,1]=4 432 B8R1.11 CC1=C(CN)SC=C1 DY609391 [0,0,0,0,1,0|2,0,0]=3 433 B8R1.11 CC1=C(CO)N=CN1 DY546951 [0,0,0,0,1,0|1,0,1]=3 434 B8R1.11 CC1=C(CO)NC=N1 NO14250 [0,0,0,0,1,0|1,0,1]=3 435 B8R1.11 CC1=C(CO)SC=N1 DY537087 [0,0,0,0,1,0|2,0,0]=3 436 B8R1.11 CC1=NNC=C1C=O NO22355 [0,0,0,0,1,0|2,0,1]=4 437 B8R1.11 CC1=NOC=C1CN DY773325 [0,0,0,0,1,0|2,0,0]=3 438 B8R1.11 CC1=NOC=C1CO DY773595 [0,0,0,0,1,0|2,0,0]=3 439 B8R1.11 CC1=NON=C1CN DY508484 [0,0,0,0,1,0|2,0,0]=3 440 B8R1.11 CCC1=CNN=C1N NO14342 [0,0,0,0,1,0|2,0,0]=3 441 B8R1.11 CCC1=NNC=C1Br DY607581 [0,0,0,0,1,0|2,0,0]=3 442 B8R1.11 CCC1=NNC=C1C DY647288 [0,0,0,0,1,0|1,0,0]=2 443 B8R1.11 CCN1C=CN=C1C DY540057 [0,0,0,0,1,0|1,0,0]=2 444 B8R1.11 CCN1N=CC=C1I DY645242 [0,0,0,0,1,0|2,0,0]=3 445 B8R1.11 CN1C=CC=C1CN DY717975 [0,0,0,0,1,0|3,0,0]=4 446 B8R1.11 CN1C=CN=C1C=O NO17882 [0,0,0,0,1,0|2,0,1]=4 447 B8R1.11 CN1C=CN=C1CBr DY725449 [0,0,0,0,1,0|2,0,0]=3 448 B8R1.11 CN1C=CN=C1CCl DY726283 [0,0,0,0,1,0|2,0,0]=3 449 B8R1.11 CN1C=CN=C1CO NO13833 [0,0,0,0,1,0|2,0,0]=3 450 B8R1.11 CN1C=NN=C1CCl DY609472 [0,0,0,0,1,0|3,0,0]=4 451 B8R1.11 CN1C=NN=C1CO NO15203 [0,0,0,0,1,0|3,0,0]=4 452 B8R1.11 CN1N=CC=C1C=O NO18205 [0,0,0,0,1,0|2,0,1]=4 453 B8R1.11 CN1N=CC=C1CCl DY607925 [0,0,0,0,1,0|2,0,0]=3 454 B8R1.11 CN1N=CN=C1CN DY769947 [0,0,0,0,1,0|2,0,0]=3 455 B8R1.11 CN1N=CN=C1NN DY611632 [0,0,0,0,1,0|3,0,0]=4 456 B8R1.11 CNC1=NC=CN1C DY725947 [0,0,0,0,1,0|2,0,0]=3 457 B8R1.11 CSC1=C(Br)C=CS1 DY452122 [0,0,0,0,1,0|3,0,0]=4 458 B8R1.11 ClC1=C(CBr)C=CS1 NO14290 [0,0,0,0,1,0|3,0,0]=4 459 B8R1.11 OCC1=C(Br)N=CS1 NO12138 [0,0,0,0,1,0|3,0,0]=4 460 B8R1.11 OCC1=C(Cl)C=CS1 DY536271 [0,0,0,0,1,0|3,0,0]=4 461 B7R1.3 BrC1=CC=CN=C1 NO19218 [2,0,0,0,0,0|2,0,0]=4 462 B7R1.3 BrC1=NC=CC=C1 NO17815 [2,0,0,0,0,0|2,0,0]=4 463 B7R1.3 BrC1=NC=CN=C1 NO15000 [2,0,0,0,0,0|1,0,0]=3 464 B7R1.3 CC1=CC=CN=N1 NO22374 [2,0,0,0,0,0|2,0,0]=4 465 B7R1.3 CC1=CN=CN=C1 NO18851 [2,0,0,0,0,0|2,0,0]=4 466 B7R1.3 CC1=CN=NC=C1 NO22983 [2,0,0,0,0,0|2,0,0]=4 467 B7R1.3 CC1=NC=NC=C1 NO19795 [2,0,0,0,0,0|2,0,0]=4 468 B7R1.3 ClC1=NC=CC=C1 DY20672 [2,0,0,0,0,0|2,0,0]=4 469 B7R1.3 ClC1=NC=CN=C1 NO15454 [2,0,0,0,0,0|1,0,0]=3 470 B7R1.3 FC1=CC=CN=C1 DY20006 [2,0,0,0,0,0|2,0,0]=4 471 B7R1.3 FC1=NC=CC=C1 DY20005 [2,0,0,0,0,0|2,0,0]=4 472 B7R1.3 IC1=NC=CC=C1 NO14565 [2,0,0,0,0,0|2,0,0]=4 473 B7R1.3 IC1=NC=CN=C1 DY425096 [2,0,0,0,0,0|1,0,0]=3 474 B7R1.3 NC1=CC=CN=C1 NO19073 [2,0,0,0,0,0|2,0,0]=4 475 B7R1.3 NC1=NC=CN=C1 NO16102 [2,0,0,0,0,0|1,0,0]=3 476 B7R1.3 NC1=NC=CN=N1 DY459438 [2,0,0,0,0,0|2,0,0]=4 477 B7R1.3 OC1=CC=CN=C1 NO17813 [2,0,0,0,0,0|2,0,0]=4 478 B7R1.3 OC1=NC=CC=C1 NO21602 [2,0,0,0,0,0|2,0,0]=4 479 B7R1.3 OC1=NC=CN=C1 NO21601 [2,0,0,0,0,0|1,0,0]=3 480 B9R1.1 BrCC1=CN=C(Br)C=C1 DY655150 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.1 CC1=CC=C(CO)C=N1 DY21041 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.1 CC1=CN=C(C=O)C=N1 NO12781 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.1 CC1=CN=C(CN)C=C1 DY711847 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.1 CC1=CN=C(CN)C=C1 NO18319 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.1 CC1=CN=C(CO)C=N1 NO12383 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.1 CC1=NC=C(CCl)C=C1 DY585961 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.1 CCC1=CC=C(Br)C=C1 NO10865 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.1 CCC1=CC=C(Cl)C=C1 DY584444 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.1 CCC1=CC=C(F)C=C1 DY20965 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.1 CCC1=CC=C(I)C=C1 DY20189 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.1 CCC1=CC=C(N)C=N1 DY515529 [1,1,0,0,0,0|1,0,0]=3 492 B9R1.1 CCC1=CC=C(O)C=C1 DY20188 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.1 CCC1=CN=C(Br)C=C1 NO13124 [1,1,0,0,0,0|1,0,0]=3 494 B9R1.1 CCC1=CN=C(C)C=C1 DY20566 [1,1,0,0,0,0|1,0,0]=3 495 B9R1.1 CCC1=CN=C(N)C=C1 DY585943 [1,1,0,0,0,0|1,0,0]=3 496 B9R1.1 CCC1=CN=C(N)N=C1 NO14255 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.1 CCC1=CN=C(O)C=C1 DY660020 [1,1,0,0,0,0|1,0,0]=3 498 B9R1.1 CCC1=NC=C(Br)C=C1 NO12376 [1,1,0,0,0,0|1,0,0]=3 499 B9R1.1 CCC1=NC=C(Br)C=N1 NO13125 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.1 CCC1=NC=C(C)N=C1 DY710647 [1,1,0,0,0,0|0,0,0]=2 501 B9R1.1 CCC1=NC=C(I)C=N1 DY693478 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.1 CNC1=NC=C(Br)C=C1 NO10304 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.1 CNC1=NC=C(F)C=C1 DY711535 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.1 COC1=CC=C(N)C=N1 NO19527 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.1 COC1=CN=C(Br)C=C1 NO13470 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.1 COC1=CN=C(Br)C=N1 NO21377 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.1 COC1=CN=C(Cl)C=N1 NO14927 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.1 COC1=CN=C(N)C=C1 NO17791 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.1 COC1=CN=C(N)C=N1 NO19706 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.1 COC1=NC=C(Br)C=C1 DY716534 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.1 COC1=NC=C(Br)C=C1 NO22030 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.1 COC1=NC=C(C)C=C1 NO21644 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.1 COC1=NC=C(Cl)C=C1 NO17976 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.1 COC1=NC=C(I)C=C1 NO21641 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.1 CSC1=CC=C(N)C=N1 DY547125 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.1 CSC1=CN=C(C)C=N1 DY710851 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.1 CSC1=NC=C(Cl)C=C1 DY454120 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.1 ClC1=CN=C(CBr)C=C1 NO16112 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.1 ClC1=CN=C(CBr)C=C1 NO17526 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.1 ClCC1=NC=C(Cl)C=C1 DY446951 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.1 FC1=NC=C(CBr)C=C1 NO13268 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 N#CC1=CN=C(N)C=N1 NO17828 [1,1,0,0,0,0|1,0,1]=4 523 B9R1.1 N#CC1=NC=C(Cl)N=C1 NO12402 [1,1,0,0,0,0|1,0,1]=4 524 B9R1.1 NCC1=CC=C(Br)N=C1 NO11090 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.1 NCC1=CC=C(Cl)N=C1 NO16390 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.1 NCC1=CC=C(N)C=N1 NO10590 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.1 NCC1=NC=C(Cl)N=C1 DY504699 [1,1,0,0,0,0|1,0,0]=3 528 B9R1.1 NCC1=NC=C(Cl)N=C1 DY532911 [1,1,0,0,0,0|1,0,0]=3 529 B9R1.1 NCC1=NC=C(F)C=C1 DY430169 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.1 NCC1=NC=C(F)C=C1 NO16554 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.1 OCC1=CN=C(Cl)C=C1 DY20657 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.1 OCC1=NC=C(Br)C=C1 NO23005 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.1 OCC1=NC=C(Cl)C=C1 NO21758 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.1 OCC1=NC=C(Cl)N=C1 NO14569 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.1 OCC1=NC=C(F)C=C1 NO10382 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 CC1=CC(CCl)=NC=C1 NO15442 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 CC1=CC(CO)=NC=C1 NO11126 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 CC1=CC=CC(CCl)=N1 DY547749 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 CC1=CC=CC(CN)=N1 NO18414 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 CC1=CC=CC(CO)=N1 DY20920 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 CC1=CN=CC(C#N)=N1 NO17295 [1,1,0,0,0,0|1,0,1]=4 542 B9R1.2 CC1=CN=CC(CCl)=C1 NO14445 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.2 CC1=CN=CC(CCl)=N1 NO17402 [1,1,0,0,0,0|1,0,0]=3 544 B9R1.2 CC1=CN=CC(CO)=C1 DY452566 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.2 CC1=CN=CC(CO)=N1 NO15787 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.2 CCC1=CC(C)=CN=C1 DY657240 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.2 CCC1=CC=CC(Br)=N1 NO15322 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.2 CCC1=CC=CC(Cl)=C1 DY584271 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.2 CCC1=CN=CC(Br)=C1 NO11907 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.2 CCC1=CN=CC(Cl)=N1 DY447143 [1,1,0,0,0,0|0,0,0]=2 551 B9R1.2 CCC1=NC=CC(Br)=C1 DY658183 [1,1,0,0,0,0|1,0,0]=3 552 B9R1.2 CNC1=NC(Cl)=CN=C1 NO10695 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.2 CNC1=NC=CC(F)=C1 DY714974 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.2 CNC1=NC=CC(I)=C1 DY452194 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.2 CNC1=NC=CC(N)=C1 NO16967 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.2 COC1=CC(C)=CN=C1 DY451846 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.2 COC1=CC=CC(Br)=N1 NO14301 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.2 COC1=CC=CC(Cl)=N1 NO13826 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.2 COC1=CC=CC(F)=N1 NO13652 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.2 COC1=CC=CC(I)=N1 NO18075 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.2 COC1=CC=CC(N)=N1 NO13845 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.2 COC1=CN=CC(Br)=N1 DY431625 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.2 COC1=CN=CC(Cl)=N1 NO21483 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.2 COC1=CN=CC(N)=C1 NO19973 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.2 COC1=CN=CC(N)=N1 NO12541 [1,1,0,0,0,0|1,0,0]=3 566 B9R1.2 COC1=CN=CC(O)=C1 NO17819 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.2 COC1=NC(C)=CC=C1 NO15396 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.2 COC1=NC(C)=CN=C1 DY710569 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.2 COC1=NC=CC(Br)=C1 NO22650 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.2 COC1=NC=CC(C)=C1 NO21637 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.2 COC1=NC=CC(Cl)=C1 NO19313 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.2 COC1=NC=CC(F)=C1 NO11908 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.2 COC1=NC=CC(I)=C1 NO19594 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.2 COC1=NC=CC(N)=C1 NO19525 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.2 CSC1=CN=CC(Br)=C1 DY452608 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.2 CSC1=NC=CC(Cl)=C1 NO12493 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.2 FC1=CC=CC(CBr)=N1 DY500445 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.2 N#CC1=NC(Br)=CN=C1 NO12208 [1,1,0,0,0,0|1,0,1]=4 579 B9R1.2 N#CC1=NC(Cl)=CN=C1 NO19986 [1,1,0,0,0,0|1,0,1]=4 580 B9R1.2 N#CC1=NC(F)=CN=C1 DY430096 [1,1,0,0,0,0|1,0,1]=4 581 B9R1.2 N#CC1=NC(N)=CN=C1 NO12200 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.2 NC1=CC(CBr)=CN=C1 DY659222 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.2 NC1=CC(CO)=NC=C1 DY33483 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.2 NC1=CC=CC(CO)=N1 NO16612 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.2 NC1=CN=CC(CO)=C1 NO22079 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.2 NCC1=NC(Br)=CC=C1 NO10635 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.2 NCC1=NC(Cl)=CC=C1 DY527445 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.2 NCC1=NC(Cl)=CN=C1 DY106438 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.2 NCC1=NC(F)=CC=C1 NO13193 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.2 NCC1=NC=CC(Br)=C1 NO12824 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.2 NCC1=NC=CC(Br)=C1 NO15559 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.2 OCC1=CC(Br)=CN=C1 NO18272 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.2 OCC1=CC(F)=CN=C1 DY430713 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.2 OCC1=NC(Br)=CC=C1 NO23004 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.2 OCC1=NC(Cl)=CC=C1 NO10667 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.2 OCC1=NC(Cl)=CC=C1 NO19907 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.2 OCC1=NC(Cl)=CN=C1 NO16124 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.2 OCC1=NC=CC(Br)=C1 NO18696 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.2 OCC1=NC=CC(Cl)=C1 DY20517 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.2 OCC1=NC=CC(O)=C1 NO17612 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.6 CC(=O)C1=CC=CN=C1 NO18256 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.6 CC(=O)C1=NC=CC=C1 NO18611 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.6 CC(=O)C1=NC=CN=C1 NO19346 [1,1,0,0,0,0|0,0,1]=3 604 B9R1.6 CC(Br)C1=NC=CN=C1 DY710527 [1,1,0,0,0,0|0,0,0]=2 605 B9R1.6 CC(C)C1=NC=CC=C1 NO21621 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.6 CC(N)C1=CC=CC=C1 DY457042 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.6 CC(N)C1=CC=CN=N1 DY526767 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.6 CC(N)C1=NC=CN=C1 NO12997 [1,1,0,0,0,0|0,0,0]=2 609 B9R1.6 CC(O)C1=CN=CN=C1 DY572325 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.6 CC(O)C1=NC=CC=C1 NO20801 [1,1,0,0,0,0|1,0,0]=3 611 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY553203 [1,1,0,0,0,0|1,0,0]=3 612 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY621669 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.6 C[C@@H](O)C1=NC=CC=C1 DY20310 [1,1,0,0,0,0|1,0,0]=3 614 B9R1.6 C[C@@H](O)C1=NC=CC=N1 DY621675 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.6 C[C@H](N)C1=CC=CN=C1 DY546027 [1,1,0,0,0,0|1,0,0]=3 616 B9R1.6 C[C@H](N)C1=NC=CC=C1 NO15370 [1,1,0,0,0,0|1,0,0]=3 617 B9R1.6 C[C@H](O)C1=CC=CN=N1 DY586498 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.6 NC(=O)C1=NC=CN=C1 NO13379 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.6 O=C(O)C1=NC=CN=C1 NO17531 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.6 O=[N+]([O-])C1=NC=CN=C1 DY710017 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [1,1,0,0,0,0|1,0,0]=3 622 B9R1.8 CCCC1=CC=CN=C1 NO22402 [1,1,0,0,0,0|1,0,0]=3 623 B9R1.8 CCOC1=CC=CN=N1 DY736406 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.8 CCOC1=NC=CN=C1 NO21524 [1,1,0,0,0,0|0,0,0]=2 625 B9R1.8 CNCC1=CC=CC=C1 DY10559 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.8 CNCC1=CC=CC=C1 DY20323 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.8 CNCC1=CC=CC=C1 DY21006 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.8 CNCC1=CC=CN=C1 NO18846 [1,1,0,0,0,0|1,0,0]=3 629 B9R1.8 CNCC1=NC=CC=C1 DY501242 [1,1,0,0,0,0|1,0,0]=3 630 B9R1.8 CNCC1=NC=CC=C1 DY663671 [1,1,0,0,0,0|1,0,0]=3 631 B9R1.8 COCC1=NC=CC=C1 NO20909 [1,1,0,0,0,0|1,0,0]=3 632 B9R1.8 CSCC1=NC=CN=C1 DY710935 [1,1,0,0,0,0|0,0,0]=2 633 B9R1.8 ClCCC1=NC=CN=C1 DY585865 [1,1,0,0,0,0|0,0,0]=2 634 B9R1.8 N#CCC1=CC=CN=C1 NO18407 [1,1,0,0,0,0|1,0,1]=4 635 B9R1.8 N#CCC1=NC=CC=C1 NO18926 [1,1,0,0,0,0|1,0,1]=4 636 B9R1.8 NCCC1=CC=CN=C1 NO21892 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.8 NCCC1=CN=CN=C1 DY693160 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.8 NCCC1=NC=CC=C1 NO14064 [1,1,0,0,0,0|1,0,0]=3 639 B9R1.8 NCCC1=NC=CC=N1 DY510693 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.8 NNCC1=NC=CC=C1 DY578445 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.8 OCCC1=CN=CN=C1 NO12401 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.3 CC1=C(Br)C=CN=C1Cl NO21442 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.3 CC1=C(C)C(Br)=CC=C1 NO19738 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.3 CC1=C(C)C(N)=NC=C1 NO14451 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.3 CC1=C(C)C(O)=NC=C1 DY431552 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.3 CC1=C(F)C=CN=C1Cl DY450904 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.3 CC1=C(I)C=CN=C1Cl DY425783 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.3 CC1=C(I)C=CN=C1F NO18757 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.3 CC1=NC=CC(Br)=C1C NO15313 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.3 CC1=NC=CC(Br)=C1Cl DY658207 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.3 CC1=NC=CC(Br)=C1F NO17321 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.3 CC1=NC=CC(Br)=C1N DY713107 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.3 CC1=NC=CC(C)=C1O DY430625 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.3 CC1=NC=CC(Cl)=C1F DY711385 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.3 CC1=NC=CC(Cl)=C1I DY658407 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.3 CC1=NC=CC(Cl)=C1N NO15139 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.3 CC1=NC=CC(I)=C1Cl DY586507 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.3 CC1=NC=CC(N)=C1C NO14420 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.3 CC1=NC=CC(N)=C1N NO21697 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.3 CC1=NC=CC(O)=C1N DY512937 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.3 CC1=NC=CC(O)=C1O DY656055 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.69 BrC1=CN=C(Br)C(Br)=N1 NO15065 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.69 CC1=C(Br)C=C(N)C=N1 NO18819 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.69 CC1=C(Br)C=CC(N)=N1 NO23028 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.69 CC1=C(Br)C=CC(O)=N1 NO18359 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.69 CC1=C(Br)N=CC(N)=C1 NO19464 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.69 CC1=C(Br)N=CC(N)=N1 NO14357 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.69 CC1=C(C)C=C(S)C=C1 DY535125 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.69 CC1=C(C)N=C(N)C=N1 DY115982 [1,1,0,0,0,0|0,0,0]=2 670 B9R1.69 CC1=C(Cl)N=C(N)C=C1 NO21753 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.69 CC1=C(Cl)N=CC(N)=C1 NO14239 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.69 CC1=C(Cl)N=CC(N)=N1 DY555291 [1,1,0,0,0,0|1,0,0]=3 673 B9R1.69 CC1=C(Cl)N=CC(O)=C1 NO15214 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.69 CC1=C(I)N=CC(N)=C1 DY661206 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.69 CC1=CC(Br)=CN=C1Br NO18978 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.69 CC1=CC(Br)=CN=C1F NO14095 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.69 CC1=CC(Br)=CN=C1N DY20013 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.69 CC1=CC(Br)=CN=C1O NO18541 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.69 CC1=CC(Cl)=CN=C1Br NO15514 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.69 CC1=CC(Cl)=CN=C1Cl NO15205 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.69 CC1=CC(Cl)=CN=C1F NO14231 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.69 CC1=CC(Cl)=CN=C1N NO13921 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.69 CC1=CC(Cl)=CN=C1O DY20516 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.69 CC1=CC(F)=CN=C1Br NO21373 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.69 CC1=CC(F)=CN=C1Cl NO14240 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.69 CC1=CC(F)=CN=C1N NO17590 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.69 CC1=CC(I)=CN=C1N NO13801 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.69 CC1=CC=C(Br)C(C)=N1 NO20363 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.69 CC1=CC=C(Br)N=C1N DY443537 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.69 CC1=CC=C(C)C(Cl)=N1 NO16816 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.69 CC1=CC=C(C)C(N)=N1 NO16045 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.69 CC1=CC=C(Cl)N=C1Br NO16574 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.69 CC1=CC=C(Cl)N=C1Cl NO15124 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.69 CC1=CC=C(Cl)N=C1I DY660983 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.69 CC1=CC=C(N)C(C)=N1 NO19572 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.69 CC1=CN=C(Br)C(C)=C1 DY20801 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.69 CC1=CN=C(C)C(C)=C1 NO20999 [1,1,0,0,0,0|1,0,0]=3 698 B9R1.69 CC1=CN=C(C)C(I)=N1 DY427440 [1,1,0,0,0,0|1,0,0]=3 699 B9R1.69 CC1=CN=C(C)C(N)=C1 DY578583 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.69 CC1=CN=C(C)C(N)=N1 NO15990 [1,1,0,0,0,0|1,0,0]=3 701 B9R1.69 CC1=CN=C(Cl)C(C)=N1 NO21418 [1,1,0,0,0,0|1,0,0]=3 702 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 NO17128 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.69 CC1=CN=C(Cl)C(N)=N1 DY105904 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.69 CC1=CN=C(N)C(C)=C1 DY427372 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.69 CC1=CN=C(N)C(Cl)=N1 DY578133 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.69 CC1=CN=C(O)C(C)=N1 NO12599 [1,1,0,0,0,0|1,0,0]=3 707 B9R1.69 CC1=NC(Br)=CC=C1Br NO19042 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.69 CC1=NC(Br)=CC=C1N NO13574 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.69 CC1=NC(Br)=CC=C1O NO15297 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.69 CC1=NC(Br)=CN=C1N NO12476 [1,1,0,0,0,0|1,0,0]=3 711 B9R1.69 CC1=NC(Cl)=CC=C1F NO19395 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.69 CC1=NC(Cl)=CC=C1N NO13794 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.69 CC1=NC(F)=CC=C1Br NO19026 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.69 CC1=NC(F)=CC=C1O DY452518 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.69 CC1=NC(I)=CC=C1O DY431760 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.69 CC1=NC(I)=CN=C1Cl DY586485 [1,1,0,0,0,0|1,0,0]=3 717 B9R1.69 CC1=NC=C(Br)C=C1Br NO13993 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.69 CC1=NC=C(Br)C=C1N NO10276 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.69 CC1=NC=C(Br)C=C1O NO15115 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.69 CC1=NC=C(Cl)N=C1C DY442143 [1,1,0,0,0,0|0,0,0]=2 721 B9R1.69 CC1=NC=C(Cl)N=C1Cl DY578187 [1,1,0,0,0,0|1,0,0]=3 722 B9R1.69 ClC1=CN=C(Cl)C(Cl)=N1 NO15064 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.69 ClC1=CN=C(I)C(Cl)=N1 NO15008 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.69 ClC1=NC=C(Br)N=C1Br NO14485 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.69 NC1=NC(Br)=C(I)N=C1 DY710821 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.69 NC1=NC(Br)=CN=C1Br NO12767 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.69 NC1=NC(Br)=CN=C1Cl NO14343 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.69 NC1=NC(Cl)=C(Br)N=C1 NO12181 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.69 NC1=NC(Cl)=C(Cl)N=C1 DY710161 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.69 NC1=NC=C(Br)N=C1Br NO15427 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.69 NC1=NC=C(Br)N=C1Cl NO12621 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.69 NC1=NC=C(Br)N=C1N NO10306 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.69 NC1=NC=C(Cl)N=C1Br NO12450 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.69 NC1=NC=C(Cl)N=C1Cl NO12179 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.69 NC1=NC=C(I)N=C1Cl DY444161 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.69 OC1=NC=C(Br)N=C1Br NO21971 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.14 CCN1C=CN=C1C=O NO13816 [0,1,0,0,1,0|1,0,1]=4 738 B9R1.14 CCN1C=CN=C1CCl DY609930 [0,1,0,0,1,0|1,0,0]=3 739 B9R1.14 CCN1N=CC=C1C#N DY606885 [0,1,0,0,1,0|1,0,1]=4 740 B9R1.14 CCN1N=CC=C1C=O DY578787 [0,1,0,0,1,0|1,0,1]=4 741 B9R1.22 CC1=CC(CN)=C(C)N1 DY520143 [0,1,0,0,1,0|1,0,1]=4 742 B9R1.22 CC1=NC(C)=C(CCl)S1 DY579759 [0,1,0,0,1,0|2,0,0]=4 743 B9R1.22 CC1=NC(C)=C(CN)S1 DY530211 [0,1,0,0,1,0|2,0,0]=4 744 B9R1.22 CC1=NC(CN)=C(C)O1 DY773133 [0,1,0,0,1,0|2,0,0]=4 745 B9R1.22 CCC1=C(C)N=C(N)S1 NO18463 [0,1,0,0,1,0|1,0,0]=3 746 B9R1.22 CCN1N=C(C)C=C1N DY645188 [0,1,0,0,1,0|2,0,0]=4 747 B9R1.22 CNC1=CC(C)=NN1C DY650280 [0,1,0,0,1,0|2,0,0]=4 748 B9R1.22 COC1=NC(Cl)=NN1C DY607689 [0,1,0,0,1,0|2,0,0]=4 749 B9R1.27 CC1=NOC(C)=C1CCl NO19517 [0,1,0,0,1,0|2,0,0]=4 750 B9R1.33 CC1=C(CCO)SC=N1 NO19563 [0,1,0,0,1,0|1,0,0]=3 751 B9R1.33 CC1=NC=CN1CCBr DY610893 [0,1,0,0,1,0|1,0,0]=3 752 B9R1.33 CCOC1=C(C)N=CO1 DY20466 [0,1,0,0,1,0|1,0,0]=3 753 B9R1.33 CN1C=CC=C1CCO DY106498 [0,1,0,0,1,0|2,0,0]=4 754 B9R1.33 CN1C=CN=C1CCO DY606807 [0,1,0,0,1,0|1,0,0]=3 755 B9R1.33 CN1C=CN=C1CNN DY725419 [0,1,0,0,1,0|2,0,0]=4 756 B9R1.33 CNCC1=NON=C1C DY772851 [0,1,0,0,1,0|1,0,0]=3 757 B9R1.33 NC1=CC=NN1CCF DY644393 [0,1,0,0,1,0|2,0,0]=4 758 B9R1.33 NC1=CC=NN1CCO NO18267 [0,1,0,0,1,0|2,0,0]=4 759 B9R1.41 CC(=O)C1=NC=CN1C DY575049 [0,1,0,0,1,0|1,0,1]=4 760 B9R1.41 CC(C)C1=NC=CN1C NO20757 [0,1,0,0,1,0|1,0,0]=3 761 B9R1.41 CC(C)N1N=CC=C1Br DY606411 [0,1,0,0,1,0|2,0,0]=4 762 B9R1.41 CC(N)C1=NC=NN1C DY603742 [0,1,0,0,1,0|1,0,0]=3 763 B9R1.41 CC(N)C1=NN=CN1C DY603460 [0,1,0,0,1,0|2,0,0]=4 764 B9R1.41 CC1=CNN=C1C(C)C DY736177 [0,1,0,0,1,0|1,0,0]=3 765 B9R1.132 CCN1C=C[N+](C)=C1C DY725155 [0,1,0,0,1,0|1,0,1]=4 766 B11R1.159 CC1=C([C@H](C)N)C=CC=C1F DY623692 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.265 COC1=NC=CC(Cl)=C1OC DY714980 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.278 CC1=CN=C(CCl)C(C)=C1O DY822182 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.17 CC1=C(OCCN)C=CC=C1 DY605519 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.17 CCNCC1=NC=CN=C1Cl DY710263 [0,2,0,0,0,0|1,0,0]=3 771 B11R1.17 NC1=CC=CN=C1NCCO DY653310 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.41 CNCC1=C(OC)C=CC=C1 DY584503 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.41 COC1=C(CCO)C=CC=C1 NO15749 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.41 COC1=NC=CC=C1CC#N DY653828 [0,2,0,0,0,0|1,0,1]=4 775 B11R1.41 COCC1=CC=CN=C1C#N DY656704 [0,2,0,0,0,0|1,0,1]=4 776 B11R1.41 COCC1=CC=CN=C1CCl DY714212 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.81 CCOC1=C(C)C=C(O)C=N1 DY715682 [0,2,0,0,0,0|1,0,0]=3 778 B11R1.81 CCOC1=C(C)N=C(N)C=C1 NO10572 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.81 CCOC1=C(F)C=C(N)C=N1 NO17642 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.81 CCOC1=CC=C(Cl)N=C1Cl DY451378 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.86 CC(C)OC1=NC=CC=C1I DY657345 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.182 CC1=CC(CCO)=C(C)C=C1 DY40742 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.182 CCNC1=NC(Br)=CN=C1N NO21262 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.182 CCOC1=C(Br)N=CC(N)=C1 NO12418 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.182 CCOC1=CC(N)=CN=C1N DY657234 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 NO14530 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.222 CNC(=O)C1=NC=CN=C1N DY455616 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.222 COC(=O)C1=C(C)N=CC=C1 NO21004 [0,2,0,0,0,0|1,0,1]=4 789 B11R1.222 COC(=O)C1=NC=CN=C1Br NO12415 [0,2,0,0,0,0|1,0,1]=4 790 B11R1.222 COC(=O)C1=NC=CN=C1C DY585289 [0,2,0,0,0,0|0,0,1]=3 791 B11R1.222 COC(=O)C1=NC=CN=C1Cl NO18208 [0,2,0,0,0,0|1,0,1]=4 792 B11R1.222 COC(=O)C1=NC=CN=C1N NO21912 [0,2,0,0,0,0|1,0,1]=4 793 B11R1.222 COC(=O)C1=NC=CN=C1O NO11607 [0,2,0,0,0,0|1,0,1]=4 794 B11R1.37 CCC1=C(CO)C=C(Br)C=C1 DY584341 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.37 CCC1=C(CO)C=CC(Br)=C1 DY452560 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.37 COC1=C(OC)N=CC(N)=C1 NO15128 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.37 COC1=C(OC)N=CC(O)=C1 DY509696 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.37 COC1=CC(Cl)=CN=C1OC DY713233 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.37 COC1=NC(Br)=CC=C1CN NO17510 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.37 COC1=NC(Br)=CC=C1CO NO17509 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.37 COC1=NC(N)=CN=C1C#N DY507560 [0,2,0,0,0,0|1,0,1]=4 802 B11R1.37 COC1=NC=C(Br)C=C1CO DY443486 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.37 COC1=NC=C(Br)N=C1NN DY710473 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.37 COC1=NC=C(Br)N=C1OC NO14846 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.37 ClCC1=CC(Br)=CN=C1CCl DY659450 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.37 ClCC1=CC=C(Cl)N=C1CCl DY660964 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 NO12568 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.53 CCC1=CC=CN=C1C(=N)N DY712729 [0,2,0,0,0,0|1,0,1]=4 809 B11R1.53 CN(C)C1=CC=CN=C1CN DY654378 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.53 COC1=C(C(C)N)C=CC=C1 DY553119 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 NO15754 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.53 COC1=CC=CN=C1C(C)=O NO16598 [0,2,0,0,0,0|1,0,1]=4 813 B11R1.53 COC1=NC=CC=C1C(C)N DY652190 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.53 COC1=NC=CN=C1C(=O)O NO16473 [0,2,0,0,0,0|1,0,1]=4 815 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C DY652460 [0,2,0,0,0,0|1,0,1]=4 816 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 NO15178 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br DY710731 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.277 CC1=NC(C)=C(C)N=C1C=O DY459732 [0,2,0,0,0,0|1,0,1]=4 819 B11R1.277 COC1=C(Cl)N=C(Cl)C(N)=N1 DY710389 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.277 COC1=NC(Br)=C(Cl)N=C1N DY709639 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.277 COC1=NC(C)=C(C)N=C1N DY710119 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.279 CCC1=NC=C(C#N)C=C1C DY712687 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.279 COC1=C(C)C=C(C#N)C=N1 DY451096 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.279 COC1=CC=C(CN)C(C)=N1 DY651818 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.279 COC1=CC=C(CO)C(C)=N1 DY451786 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.167 CC(=O)C1=NC(C)=CC=C1C DY111076 [0,2,0,0,0,0|1,0,1]=4 827 B11R1.167 CC(O)C1=CC(Br)=CN=C1Cl DY111360 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.167 CC1=C(C(C)C)C=C(N)C=C1 DY608951 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 DY105730 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.167 CN(C)C1=NC(Br)=CN=C1N NO21261 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.167 CN(C)C1=NC(F)=CN=C1F DY710587 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.87 CC(C)(C)C1=NC=CC=C1Cl DY654780 [0,2,0,0,0,0|2,0,0]=4 833 B9R1.21 CCC1=CSC(C=O)=N1 DY540045 [0,0,1,1,0,0|2,0,0]=4 834 B9R2.50 C1=CC=C2CCC2=C1 NO19267 [1,0,0,1,0,0|2,0,0]=4 835 B9R2.3 C1=CN2CCCC2=N1 DY562383 [0,0,0,1,1,0|1,0,0]=3 836 B9R2.3 C1=NN2CCCC2=C1 NO12798 [0,0,0,1,1,0|1,0,0]=3 837 B11R2.106 BrC1=C2CCCC2=CC=C1 NO16754 [0,1,0,1,0,0|2,0,0]=4 838 B11R2.106 BrC1=C2CNCC2=NC=C1 DY585212 [0,1,0,1,0,0|2,0,0]=4 839 B11R2.106 CC1=C2CNCC2=CC=C1 NO17946 [0,1,0,1,0,0|2,0,0]=4 840 B11R2.106 CC1=C2NCCC2=CC=C1 NO18412 [0,1,0,1,0,0|2,0,0]=4 841 B11R2.106 ClC1=C2CCCC2=NC=C1 NO12915 [0,1,0,1,0,0|1,0,0]=3 842 B11R2.106 ClC1=C2NCCC2=CC=N1 DY518367 [0,1,0,1,0,0|2,0,0]=4 843 B11R2.106 ClC1=NC=CC2=C1CNC2 DY676268 [0,1,0,1,0,0|2,0,0]=4 844 B11R2.106 OC1=CC=CC2=C1CCC2 NO22898 [0,1,0,1,0,0|2,0,0]=4 845 B11R2.106 OC1=CC=NC2=C1CCN2 DY534099 [0,1,0,1,0,0|2,0,0]=4 846 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 DY579003 [0,1,0,1,0,0|1,0,1]=4 847 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 DY541863 [0,1,0,1,0,0|2,0,0]=4 848 B11R2.10 ClC1CC2=CC=CC=C2C1 DY686677 [0,1,0,1,0,0|2,0,0]=4 849 B11R2.10 OC1CC2=CC=CC=C2C1 NO21608 [0,1,0,1,0,0|2,0,0]=4 850 B11R2.20 C1=CC2=C(CCCC2)N=C1 NO13407 [0,1,0,1,0,0|1,0,0]=3 851 B11R2.20 C1=CC2=C(CCNC2)N=C1 NO14841 [0,1,0,1,0,0|1,0,0]=3 852 B11R2.20 C1=CC2=C(N=C1)NCCN2 NO12464 [0,1,0,1,0,0|2,0,0]=4 853 B11R2.20 C1=CC=C2CNCCC2=C1 NO19412 [0,1,0,1,0,0|2,0,0]=4 854 B11R2.20 C1=CC=C2COCCC2=C1 NO19933 [0,1,0,1,0,0|2,0,0]=4 855 B11R2.20 C1=CN=C2NCCCC2=C1 NO20465 [0,1,0,1,0,0|1,0,0]=3 856 B11R2.20 C1=NC2=C(CCCC2)N=C1 NO14173 [0,1,0,1,0,0|0,0,0]=2 857 B11R2.20 C1=NC=NC2=C1CCCC2 DY447449 [0,1,0,1,0,0|2,0,0]=4 858 B11R2.20 C1=NC=NC2=C1CNCC2 NO11914 [0,1,0,1,0,0|2,0,0]=4 859 B11R2.20 C1=NC=NC2=C1CNCC2 NO15273 [0,1,0,1,0,0|2,0,0]=4 860 B11R2.55 BrC1=NC=CC=C1C2CC2 NO16928 [0,1,0,1,0,0|2,0,0]=4 861 B11R2.55 FC1=NC=CC=C1C2CC2 DY451828 [0,1,0,1,0,0|2,0,0]=4 862 B11R2.1 CC1CCC2=NC=CN=C21 DY543411 [0,1,0,1,0,0|0,0,0]=2 863 B11R2.1 CC1CNC2=NC=CC=C21 DY739061 [0,1,0,1,0,0|1,0,0]=3 864 B11R2.1 NC1CCC2=CC=CC=C21 NO19275 [0,1,0,1,0,0|2,0,0]=4 865 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 NO19803 [0,1,0,1,0,0|2,0,0]=4 866 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO16005 [0,1,0,1,0,0|2,0,0]=4 867 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO20307 [0,1,0,1,0,0|2,0,0]=4 868 B11R2.1 N[C@H]1CCC2=NC=CC=C21 DY515745 [0,1,0,1,0,0|1,0,0]=3 869 B11R2.1 O=C1CCC2=CC=CN=C12 NO10816 [0,1,0,1,0,0|1,0,1]=4 870 B11R2.1 O=C1CCC2=NC=CC=C12 NO18212 [0,1,0,1,0,0|1,0,1]=4 871 B11R2.1 OC1CCC2=CC=CN=C21 NO10573 [0,1,0,1,0,0|1,0,0]=3 872 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 DY567765 [0,1,0,1,0,0|2,0,0]=4 873 B11R2.36 BrC1=CN=C2CCCC2=C1 NO22164 [0,1,0,1,0,0|1,0,0]=3 874 B11R2.36 BrC1=CN=C2NCCC2=C1 DY533421 [0,1,0,1,0,0|2,0,0]=4 875 B11R2.36 BrC1=CN=C2NCCC2=C1 NO18623 [0,1,0,1,0,0|2,0,0]=4 876 B11R2.36 FC1=CC=C2CCCC2=C1 NO16751 [0,1,0,1,0,0|2,0,0]=4 877 B11R2.36 IC1=CN=C2CCCC2=C1 DY675123 [0,1,0,1,0,0|1,0,0]=3 878 B11R2.36 NC1=CN=C2CCCC2=C1 DY100354 [0,1,0,1,0,0|1,0,0]=3 879 B7R1.1 BrCC1=CSC=N1 DY583383 [1,0,0,0,1,0|2,0,0]=4 880 B7R1.1 BrCC1=NC=CS1 NO12090 [1,0,0,0,1,0|2,0,0]=4 881 B7R1.1 CCC1=NC=CN1 NO21533 [1,0,0,0,1,0|0,0,1]=3 882 B7R1.1 CCN1C=CC=N1 NO20681 [1,0,0,0,1,0|1,0,0]=3 883 B7R1.1 CNC1=CC=CS1 DY786838 [1,0,0,0,1,0|2,0,0]=4 884 B7R1.1 CNC1=NNC=C1 DY555147 [1,0,0,0,1,0|2,0,0]=4 885 B7R1.1 COC1=CC=CO1 DY759896 [1,0,0,0,1,0|2,0,0]=4 886 B7R1.1 COC1=CNC=N1 DY725797 [1,0,0,0,1,0|1,0,1]=4 887 B7R1.1 COC1=CSC=C1 NO22351 [1,0,0,0,1,0|2,0,0]=4 888 B7R1.1 COC1=NC=CS1 NO22597 [1,0,0,0,1,0|2,0,0]=4 889 B7R1.1 CSC1=NC=CO1 NO17723 [1,0,0,0,1,0|2,0,0]=4 890 B7R1.1 ClCC1=CC=CO1 NO13429 [1,0,0,0,1,0|2,0,0]=4 891 B7R1.1 ClCC1=CN=CO1 DY114644 [1,0,0,0,1,0|2,0,0]=4 892 B7R1.1 ClCC1=CN=CS1 NO16156 [1,0,0,0,1,0|2,0,0]=4 893 B7R1.1 ClCC1=CSC=N1 DY571191 [1,0,0,0,1,0|2,0,0]=4 894 B7R1.1 ClCC1=CSC=N1 DY586637 [1,0,0,0,1,0|2,0,0]=4 895 B7R1.1 ClCC1=NC=CN1 NO20896 [1,0,0,0,1,0|1,0,1]=4 896 B7R1.1 ClCN1C=CC=N1 DY644922 [1,0,0,0,1,0|2,0,0]=4 897 B7R1.1 NCC1=CC=CN1 NO14874 [1,0,0,0,1,0|1,0,1]=4 898 B7R1.1 NCC1=CC=CS1 NO22783 [1,0,0,0,1,0|2,0,0]=4 899 B7R1.1 NCC1=CN=CO1 NO17502 [1,0,0,0,1,0|2,0,0]=4 900 B7R1.1 NCC1=CN=CO1 NO18508 [1,0,0,0,1,0|2,0,0]=4 901 B7R1.1 NCC1=CN=CS1 DY517137 [1,0,0,0,1,0|2,0,0]=4 902 B7R1.1 NCC1=CNC=N1 NO15263 [1,0,0,0,1,0|1,0,1]=4 903 B7R1.1 NCC1=CNC=N1 NO16828 [1,0,0,0,1,0|1,0,1]=4 904 B7R1.1 NCC1=CON=C1 DY531627 [1,0,0,0,1,0|2,0,0]=4 905 B7R1.1 NCC1=CSC=C1 NO22417 [1,0,0,0,1,0|2,0,0]=4 906 B7R1.1 NCC1=CSC=N1 DY116268 [1,0,0,0,1,0|2,0,0]=4 907 B7R1.1 NCC1=NC=CO1 DY773829 [1,0,0,0,1,0|2,0,0]=4 908 B7R1.1 NCC1=NC=CS1 DY560307 [1,0,0,0,1,0|2,0,0]=4 909 B7R1.1 NCC1=NNC=C1 NO15493 [1,0,0,0,1,0|2,0,0]=4 910 B7R1.1 OCC1=CC=NO1 NO15343 [1,0,0,0,1,0|2,0,0]=4 911 B7R1.1 OCC1=CN=CS1 NO16191 [1,0,0,0,1,0|2,0,0]=4 912 B7R1.1 OCC1=CNN=C1 NO20094 [1,0,0,0,1,0|2,0,0]=4 913 B7R1.1 OCC1=COC=C1 NO22303 [1,0,0,0,1,0|2,0,0]=4 914 B7R1.1 OCC1=CSC=C1 NO18039 [1,0,0,0,1,0|2,0,0]=4 915 B7R1.1 OCC1=CSC=N1 NO22892 [1,0,0,0,1,0|2,0,0]=4 916 B7R1.1 OCC1=NC=NN1 DY116570 [1,0,0,0,1,0|2,0,0]=4 917 B7R1.1 OCN1C=CC=N1 NO11902 [1,0,0,0,1,0|2,0,0]=4 918 B7R1.1 OCN1C=CN=C1 DY726289 [1,0,0,0,1,0|2,0,0]=4 919 B7R1.4 CC1=C(Br)SC=C1 NO13700 [1,0,0,0,1,0|2,0,0]=4 920 B7R1.4 CC1=C(C)NC=N1 DY20435 [1,0,0,0,1,0|0,0,1]=3 921 B7R1.4 CC1=C(C)NC=N1 DY575295 [1,0,0,0,1,0|0,0,1]=3 922 B7R1.4 CC1=C(C)SC=N1 NO22784 [1,0,0,0,1,0|1,0,0]=3 923 B7R1.4 CC1=CC=NN1C NO19266 [1,0,0,0,1,0|1,0,0]=3 924 B7R1.4 CC1=CNN=C1C NO13346 [1,0,0,0,1,0|1,0,0]=3 925 B7R1.4 CC1=NNC=C1Br NO15947 [1,0,0,0,1,0|2,0,0]=4 926 B7R1.4 CC1=NNC=C1I NO22358 [1,0,0,0,1,0|2,0,0]=4 927 B7R1.4 CC1=NOC=C1N NO17073 [1,0,0,0,1,0|2,0,0]=4 928 B7R1.4 CN1C=CN=C1I NO21609 [1,0,0,0,1,0|2,0,0]=4 929 B7R1.4 CN1N=CC=C1Br NO12124 [1,0,0,0,1,0|2,0,0]=4 930 B7R1.4 CN1N=CC=C1N NO22609 [1,0,0,0,1,0|2,0,0]=4 931 B7R1.4 CN1N=CC=C1O NO10399 [1,0,0,0,1,0|2,0,0]=4