0 B10R1.172 BrCC1=CC=CC(=C1)C#N AC511286 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.172 C1=CC(=CC(=C1)C=O)C#N LN00008590 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.172 CNC1=CC(NC)=CC=C1 AC050985 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.172 COC1=CC(=NC=C1)C#N AC182218 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.172 COC1=CC(C=O)=NC=C1 AC511190 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.172 COC1=CC(CBr)=CC=C1 AC510987 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.172 COC1=CC(CN)=CC=C1 AC500068 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.172 COC1=CC(CO)=CC=C1 AC190190 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.172 COC1=CC(OC)=CC=C1 AC500213 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.172 COC1=CC=CC(=C1)C#C AC190077 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.172 COC1=CC=CC(=C1)C#N AC021048 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.172 COC1=CC=CC(=N1)C=O LN00008867 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.172 COC1=CC=CC(C=O)=C1 AC500047 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.172 COC1=CN=CC(C=O)=C1 AC182140 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.172 COC1=CN=CC(OC)=C1 AC160324 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.172 COC1=NC(C=O)=CC=C1 AC181904 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.172 COC1=NC=CC(C=O)=C1 AC190135 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.172 COC1=NC=CC(CO)=C1 AC512003 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.172 O=CC1=CC(=CC=C1)C#N AC511621 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.172 OCC1=CC=CC(=C1)C#N AC510986 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.2 BrC1=CC(=CC=C1)C#N AC190054 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.2 BrC1=CC=CC(C=O)=C1 AC500300 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.2 BrCC1=CC(Br)=CC=C1 AC510964 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.2 BrCC1=CC=CC(I)=C1 AC510794 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.2 C1=CN=C(C=C1NN)O LN02038731 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 CC1=CC(=NC=C1)C#N AC511539 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.2 CC1=CC(C=O)=NC=C1 AC510820 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.2 CC1=CC(CN)=CC=C1 AC500121 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.2 CC1=CC=CC(=N1)C#N AC180851 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.2 CC1=CC=CC(=N1)OC LN00002432 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.2 CC1=CC=CC(C=O)=N1 AC510632 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.2 CC1=CC=CC(CN)=N1 AC190009 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.2 CC1=NC(=CC=C1)CO LN00224223 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.2 CC1=NC=CC(C=O)=C1 AC181964 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.2 CCC1=CC(N)=NC=C1 AC310156 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.2 CCC1=NC=CC(=C1)Br LN02122573 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.2 CNC1=CC(Br)=CC=C1 AC020132 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.2 COC1=CC(=O)NC=C1 AC182483 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.2 COC1=CC(Br)=CN=C1 AC510801 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.2 COC1=CC(Br)=NC=C1 AC181956 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.2 COC1=CC(C)=NC=C1 AC511978 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.2 COC1=CC(N)=NC=C1 AC182137 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.2 COC1=CC=CC(Br)=N1 AC180668 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.2 COC1=CC=CC(C)=N1 AC181782 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.2 COC1=CC=CC(N)=C1 AC130321 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.2 COC1=CC=CC(N)=N1 AC181869 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.2 COC1=CC=CC(O)=C1 AC130088 [1,0,0,0,0,0|0,0,0]=1 47 B9R1.2 COC1=CC=NC(Cl)=C1 AC130676 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.2 COC1=CN=CC(N)=C1 AC182431 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.2 COC1=NC(Cl)=CC=C1 AC180147 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.2 COC1=NC(Cl)=NC=C1 AC180869 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.2 COC1=NC(F)=CC=C1 AC070088 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.2 COC1=NC(N)=NC=C1 AC512040 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.2 COC1=NC=CC(Br)=C1 AC182264 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.2 COC1=NC=CC(Cl)=C1 AC512031 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.2 COC1=NC=CC(N)=C1 AC182029 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.2 COC1=NC=NC(Cl)=C1 AC181930 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.2 CSC1=CC(N)=CC=C1 AC500237 [1,0,0,0,0,0|1,1,0]=3 58 B9R1.2 ClC1=CC(=CC=C1)C#C AC190257 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.2 ClC1=CC(=CC=C1)C#N AC511790 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.2 ClC1=CC(C=O)=CC=C1 AC511323 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.2 ClC1=CC(CBr)=CC=C1 AC180010 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.2 FC1=CC(=CC=C1)C#C AC510708 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.2 FC1=CC(C=O)=CC=C1 AC511704 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.2 FC1=CC=CC(CBr)=C1 AC510779 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.2 FC1=CC=CC(CCl)=C1 AC180011 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.2 IC1=CC(C=O)=CC=C1 AC511778 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.2 NC1=CC(=CC=C1)C#C AC500091 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.2 NCC1=CC(Cl)=CC=C1 AC510764 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.2 NCC1=CC=CC(Br)=C1 AC181165 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.2 NCC1=CC=CC(I)=C1 AC180290 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.2 NNC1=CC(Br)=CC=C1 AC511632 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.2 NNC1=CC=CC(F)=C1 AC500291 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.2 OC1=CC(=CC=C1)C#N AC190275 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.2 OC1=CC=CC(C=O)=C1 AC130074 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.2 OCC1=CC=CC(Br)=C1 AC511533 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.9 COC1=CC(=CC(=C1)F)OC LN00116098 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.9 COC1=CC(Cl)=CC(C=O)=C1 AC511968 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.9 COC1=CC(OC)=CC(Br)=C1 AC500064 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.9 COC1=CC(OC)=CC(F)=C1 AC010327 [0,1,0,0,0,0|0,0,0]=1 80 B11R1.9 COC1=CC(OC)=CC(I)=C1 AC182352 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.9 COC1=CC(OC)=CC(N)=C1 AC180227 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.9 COC1=CC(OC)=CC(O)=C1 AC130083 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.9 COC1=CC(OC)=NC(N)=N1 AC180415 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.9 COC1=NC(=CC(=C1)N)OC LN00337942 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.9 COC1=NC(OC)=NC(Cl)=N1 AC511652 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.189 CNCC1=CC(OC)=CC=C1 AC100030 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.189 COC1=CC=CC(=C1)CC=O LN00179939 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.189 COC1=CC=CC(CC#N)=N1 AC010358 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.189 COC1=NC(CCN)=CC=C1 AC010351 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.266 CC(=O)C1=CC(=CC=C1)C#N AC250032 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.266 COC1=CC(=CC=C1)C(N)=N AC181812 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.266 COC1=CC(=CN=C1)C(O)=O AC160339 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.266 COC1=CC(=NC=C1)C(O)=O AC511198 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.266 COC1=CC=CC(=C1)B(O)O AC090036 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.266 COC1=CC=CC(=C1)C(C)N AC020009 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.266 COC1=CC=CC(=C1)C(O)=O AC180043 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.266 COC1=CC=CC(=N1)C(=O)O LN00222703 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.266 COC1=CC=CC(=N1)C(O)=O AC182063 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.266 COC1=CN=CC(=C1)B(O)O AC090219 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.266 COC1=NC=CC(=C1)B(O)O AC190137 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.266 CSC1=CC(=CC=C1)B(O)O AC090049 [0,1,0,0,0,0|2,1,0]=4 102 B11R1.267 CCC1=CC=CC(CC)=C1N AC511739 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.267 COC1=C(C(=CC=C1)OC)Br LN01358441 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.267 COC1=C(O)C(C=O)=CC=C1 AC510657 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.267 COC1=CC=CC(OC)=C1N AC180530 [0,1,0,0,0,0|0,0,0]=1 106 B11R1.267 COC1=CC=CC(OC)=C1O AC190061 [0,1,0,0,0,0|0,0,0]=1 107 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 AC182189 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.280 COC1=C(F)C=CC(CN)=N1 AC512021 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.280 COC1=CC(=CC=C1Br)C#N AC182457 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.280 COC1=CC(C#N)=C(F)C=C1 AC130306 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.280 COC1=CC(C=O)=C(O)C=C1 AC130270 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.280 COC1=CC(C=O)=CC=C1Br AC511904 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.280 COC1=CC(CBr)=C(Cl)C=C1 AC050047 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.280 COC1=CC(OC)=C(I)C=C1 AC130260 [0,1,0,0,0,0|0,0,0]=1 115 B11R1.280 COC1=CC(OC)=NC=C1Br AC050567 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.280 COC1=CC=C(Br)C(C=O)=C1 AC130261 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.280 COC1=CC=C(C(=C1)C=O)O LN00009847 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.280 COC1=CC=C(F)C(C=O)=C1 AC130233 [0,1,0,0,0,0|2,0,0]=3 119 B9R0.26 COC(=O)/C=C(\CCl)OC AC170041 [0,0,1,0,0,0|2,0,1]=4 120 B9R1.14 COC1=CSC=C1OC AC511720 [0,0,0,0,1,0|1,0,0]=2 121 B9R1.14 COC1=CSC=C1OC LN00008254 [0,0,0,0,1,0|1,0,0]=2 122 B8R1.2 CNC1=NC=CC=C1 AC500327 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.2 COC1=CC=NC=C1 AC510883 [2,0,0,0,0,0|1,0,0]=3 124 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|2,0,0]=4 125 B8R1.2 ONC1=CC=CC=C1 AC500156 [2,0,0,0,0,0|2,0,0]=4 126 B8R1.4 BrC1=CC=CC(I)=C1 AC500036 [2,0,0,0,0,0|2,0,0]=4 127 B8R1.4 C1=CC(=CC(=C1)N)I LN00124661 [2,0,0,0,0,0|2,0,0]=4 128 B8R1.4 CC1=CC(=CN=C1)Br LN00008870 [2,0,0,0,0,0|2,0,0]=4 129 B8R1.4 CC1=CC(Br)=NC=C1 AC510792 [2,0,0,0,0,0|2,0,0]=4 130 B8R1.4 CC1=CC(C)=NC=N1 AC180136 [2,0,0,0,0,0|2,0,0]=4 131 B8R1.4 CC1=CC(F)=NC=C1 AC511705 [2,0,0,0,0,0|2,0,0]=4 132 B8R1.4 CC1=CC(N)=NC=C1 AC190055 [2,0,0,0,0,0|2,0,0]=4 133 B8R1.4 CC1=CC=CC(F)=N1 AC511694 [2,0,0,0,0,0|2,0,0]=4 134 B8R1.4 CC1=CC=CC(N)=N1 AC500239 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.4 CC1=CN=CC(Br)=C1 AC181288 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.4 CC1=CN=CC(N)=C1 AC181783 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.4 CC1=CN=CC(O)=N1 AC182347 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.4 CC1=NC(Br)=CC=C1 AC180435 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.4 CC1=NC(Cl)=CC=C1 AC180145 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.4 CC1=NC=CC(Br)=C1 AC500262 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.4 CC1=NC=CC(Cl)=C1 AC500323 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.4 CC1=NC=CC(F)=C1 AC511870 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.4 CC1=NC=CC(N)=C1 AC180846 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.4 C[N+]1=CC(Br)=CC=C1 AC160389 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.4 ClC1=CC(I)=CC=C1 AC510893 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.4 FC1=CC(I)=CC=C1 AC190228 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.4 NC1=CC(Br)=CC=C1 AC130115 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.4 NC1=CC(I)=CC=C1 AC510894 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.4 NC1=CC(O)=CN=C1 AC182434 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.4 NC1=NC(O)=CC=C1 AC180423 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.4 NC1=NC=CC(O)=C1 AC181799 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.4 OC1=CC(I)=CC=C1 AC510895 [2,0,0,0,0,0|1,0,0]=3 153 B8R1.4 OC1=CC(O)=CN=C1 AC181325 [2,0,0,0,0,0|1,0,0]=3 154 B8R1.4 OC1=CC=CC(Br)=N1 AC180929 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.4 OC1=CC=CC(O)=C1 HY-B0907 [2,0,0,0,0,0|0,0,0]=2 156 B8R1.4 OC1=CC=NC(Cl)=C1 AC130253 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.4 OC1=CN=CC(Br)=C1 AC510948 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.4 OC1=CN=CC(F)=C1 AC181586 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.2 C1=CC(=C(C(=C1)O)O)C#N LN00166380 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.2 CC1=C(Br)C(CO)=CC=C1 AC010441 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.2 CC1=C(C(=CC=C1)C=O)Cl LN01373184 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.2 CC1=C(C(=CC=C1)C=O)O LN00226164 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.2 CC1=C(C)C(CBr)=CC=C1 AC511858 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.2 CC1=C(F)C(=CC=C1)C#N AC182180 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.2 CC1=C(O)C(C=O)=CC=C1 AC511803 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.2 CC1=C(O)C=CC=C1C=O AC182557 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.2 COC1=C(Br)C(Cl)=NC=C1 AC200077 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.2 COC1=C(Br)C(F)=CC=C1 AC130062 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.2 COC1=C(C)C(C)=CC=C1 AC021515 [1,1,0,0,0,0|0,0,0]=2 170 B10R1.2 COC1=C(Cl)C(N)=CC=C1 AC020504 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.2 COC1=C(F)C(F)=CC=C1 AC181264 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.2 COC1=C(N)C(C)=CC=C1 AC511717 [1,1,0,0,0,0|0,0,0]=2 173 B10R1.2 COC1=CC=CC(Br)=C1C AC182617 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.2 COC1=CC=CC(N)=C1C AC020524 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.2 COC1=CC=CC(N)=C1C AC181971 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.2 COC1=CC=CC(N)=C1Cl AC020005 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.2 OC1=C(Br)C(C=O)=CC=C1 AC511063 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.2 OC1=C(Cl)C(C=O)=CC=C1 AC020595 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.2 OC1=C(O)C(=CC=C1)C#N AC512108 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.8 CC1=CC(=CC(=C1)C=O)C LN00010194 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.8 CC1=CC(=CC(=C1)CBr)C LN00009902 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.8 CC1=CC(=CC(=C1)N)CO LN01868363 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.8 CC1=CC(Br)=CC(=C1)C#N AC182212 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.8 CC1=CC(C)=CC(C=O)=C1 AC180654 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.8 CC1=CC(C)=CC(CBr)=C1 AC180301 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.8 CC1=CC(F)=CC(=C1)C#N AC181547 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.8 COC1=CC(=CC(=C1)F)Br LN00121932 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.8 COC1=CC(Br)=CC(C)=C1 AC511648 [1,1,0,0,0,0|0,0,0]=2 189 B10R1.8 COC1=CC(Cl)=CC(O)=C1 AC190072 [1,1,0,0,0,0|0,0,0]=2 190 B10R1.8 COC1=CC(F)=CC(N)=C1 AC180633 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.8 COC1=CC(F)=CC(O)=C1 AC190108 [1,1,0,0,0,0|0,0,0]=2 192 B10R1.8 COC1=CC(N)=CC(Br)=C1 AC020071 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.8 OC1=CC(F)=CC(=C1)C#N AC130038 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.8 OCC1=CC(O)=CC(O)=C1 AC180327 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.10 CC1=CC(=CC=C1)CC=O LN00181749 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.10 CCOC1=CC=CC(N)=C1 AC020532 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.10 CCOC1=NC=CC(N)=C1 AC180955 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.10 CNCC1=CC=CC(Br)=C1 AC181856 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.10 CNCC1=CC=CC(F)=C1 AC181857 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC511209 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.10 NCCC1=CC=CC(O)=C1 AC180433 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.10 OCCC1=CC(Cl)=CC=C1 AC180053 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.30 CC1=CC(=C(C=C1)N)C#N LN00009384 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.30 CC1=CC=C(Br)C(C=O)=C1 AC511861 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.30 CCC1=CC(=CC=C1F)Br LN01279639 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.30 CCC1=CC(Br)=CC=C1N AC021532 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.30 CCC1=NC(C)=CC=C1O AC181021 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 AC511561 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.30 COC1=C(Cl)C=CC(N)=C1 AC511495 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.30 COC1=CC(=CC=C1Br)O LN00004696 [1,1,0,0,0,0|0,0,0]=2 213 B10R1.30 COC1=CC(Br)=CC=C1N AC510860 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.30 COC1=CC(Br)=CN=C1Cl AC182231 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.30 COC1=CC(Cl)=NC=C1Br AC200058 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.30 COC1=CC(F)=CC=C1N AC040109 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.30 COC1=CC(N)=CC=C1Br AC500116 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.30 COC1=CC(N)=CC=C1C AC510672 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.30 COC1=CC(N)=CC=C1F AC511952 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.30 COC1=NC(C)=CC=C1N AC181576 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.30 OC1=CC(C=O)=C(Br)C=C1 AC500124 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.30 OC1=CC=C(Cl)C(C=O)=C1 AC511254 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 AC500258 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.113 CC(=O)C1=CC=CC(F)=C1 AC180005 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.113 CC(=O)C1=NC(C)=CC=C1 AC181994 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.113 CC(C1=CC(=CC=C1)Br)N LN01347982 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.113 CC(N)C1=CC(O)=CC=C1 AC020799 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC021480 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC182169 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.113 CC1=CC(=CC=C1)B(O)O AC500109 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.113 CN(C)C1=CC=CC(O)=C1 AC190067 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AC511565 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 AC020029 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.113 OB(O)C1=CC(O)=CC=C1 AC181171 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.113 OC(=O)C1=CC(O)=CC=C1 AC190160 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.176 C1=CC(=C(C=C1C#N)O)Br LN00364300 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.176 CC1=C(C=C(C=C1)C=O)O LN01279400 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.176 CC1=C(C=C(C=C1)OC)Br LN00337373 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.176 CC1=C(F)C=CC(C=O)=C1 AC510647 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.176 CC1=C(O)C=CC(C=O)=C1 AC511525 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.176 CC1=CC(=CC=C1Br)C#N AC180395 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.176 CC1=CC(=CC=C1Cl)C#N AC181685 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.176 CC1=CC(=CC=C1F)C#N AC181705 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.176 CC1=CC(C=O)=CC=C1Br AC512095 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.176 COC1=CC(Br)=C(O)C=C1 AC010330 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.176 COC1=CC(C)=C(Br)C=C1 AC130228 [1,1,0,0,0,0|0,0,0]=2 247 B10R1.176 COC1=CC(C)=C(N)C=C1 AC500162 [1,1,0,0,0,0|0,0,0]=2 248 B10R1.176 COC1=CC(N)=C(F)C=C1 AC511847 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.176 COC1=CC(N)=C(O)C=C1 AC130278 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.176 COC1=CC=C(Br)C(N)=C1 AC511036 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.176 COC1=CC=C(Br)C(O)=C1 AC181675 [1,1,0,0,0,0|0,0,0]=2 252 B10R1.176 COC1=CC=C(C)C(Br)=C1 AC182700 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.176 COC1=CC=C(Cl)C(Br)=C1 AC511634 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.176 COC1=CC=C(F)C(F)=C1 AC180258 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.176 COC1=CC=C(N)C(Br)=N1 AC070096 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.176 COC1=CC=C(N)C(Cl)=C1 AC511053 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.176 COC1=CC=C(N)C(I)=C1 AC511177 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.176 COC1=CC=C(N)C(N)=C1 AC130210 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.176 COC1=NC(C)=C(Br)C=C1 AC181561 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.176 COC1=NC=C(Br)C(C)=C1 AC511547 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.176 COC1=NC=C(C(=N1)O)F LN00239646 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.176 OC1=C(O)C=C(C=O)C=C1 AC500052 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.176 OC1=CC(C=O)=CC=C1Cl AC511121 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.11 COC1=CC(=CC(Br)=C1)[N+]([O-])=O AC020987 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.11 COC1=CC(Br)=CC(=C1)C(O)=O AC510666 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.11 COC1=CC(F)=CC(=C1)B(O)O AC090187 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.11 COC1=CC(F)=CC(=C1)C(O)=O AC182235 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.41 COC1=CC(CCO)=CC(N)=C1 AC020371 [0,2,0,0,0,0|1,0,0]=3 269 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 AC510942 [0,2,0,0,0,0|0,0,0]=2 270 B12R1.58 COC1=CC(CBr)=CC(OC)=C1 AC510991 [0,2,0,0,0,0|0,0,0]=2 271 B12R1.58 COC1=CC(OC)=CC(=C1)C#N AC180024 [0,2,0,0,0,0|0,0,0]=2 272 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 AC021102 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O AC130089 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.270 CCOC1=CC(C=O)=CC=C1O HY-B0940 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.279 CCOC1=CC(=CC=C1)B(O)O AC180998 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.279 CCOC1=CC=CC(=C1)[N+]([O-])=O AC020531 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.382 CCNCC1=CC(=CC=C1)OC LN00234456 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.435 COC(=O)C1=CC(OC)=CC=C1 AC160463 [0,2,0,0,0,0|0,0,0]=2 279 B12R1.435 COC(=O)C1=CC=CC(C=O)=C1 AC180850 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 AC500177 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 AC170045 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.435 COC1=CC(=CC=C1)[C@@H](CO)N LN02224104 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.438 COC1=CC(CC(O)=O)=CC=C1 AC500238 [0,2,0,0,0,0|1,0,1]=4 284 B12R1.56 COC1=C(Br)C=CC(=C1)[N+]([O-])=O AC511795 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O LN00183464 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.56 COC1=C(N)C=CC(=C1)C(O)=O AC020100 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.56 COC1=CC(=CC=C1Br)C(O)=O AC182275 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.56 COC1=CC(=CC=C1Cl)B(O)O AC181225 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.56 COC1=CC(=CC=C1F)B(O)O AC182194 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.56 COC1=CC(=CC=C1F)[N+]([O-])=O AC182181 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.56 COC1=CC(=CC=C1O)C(C)=O HY-N0088 [0,2,0,0,0,0|1,0,0]=3 292 B12R1.440 COC1=C(Br)C(=CC=C1)[N+]([O-])=O AC130095 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.440 COC1=C(C)C(=CC=C1)[N+]([O-])=O AC021014 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.440 COC1=C(Cl)C(=CC=C1)B(O)O AC182708 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.440 COC1=C(N)C(=CC=C1)C(O)=O AC180617 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.440 COC1=CC=CC(=C1N)[N+](=O)[O-] LN00009176 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.440 COC1=CC=CC(C(O)=O)=C1C AC181402 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.453 CCC1=CC(C(C)=O)=C(O)C=C1 AC160358 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.453 COC1=CC(=C(C)C=C1)[N+]([O-])=O AC180196 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.453 COC1=CC(=C(Cl)C=C1)[N+]([O-])=O AC130235 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.453 COC1=CC(B(O)O)=C(F)C=C1 AC511692 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 AC130229 [0,2,0,0,0,0|1,0,0]=3 303 B12R1.453 COC1=CC(C(O)=O)=C(F)C=C1 AC511681 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.453 COC1=CC(C(O)=O)=C(O)C=C1 AC511628 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.453 COC1=CC=C(Br)C(=C1)C(O)=O AC511611 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.453 COC1=CC=C(Cl)C(=C1)B(O)O AC021331 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.453 COC1=CC=C(F)C(=C1)[N+]([O-])=O AC511760 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.453 COC1=CC=C(I)C(=C1)[N+]([O-])=O AC511745 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.453 COC1=CC=C(N)C(=C1)C(N)=O AC182701 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O AC020594 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.1879 CNC1=C(C#N)C(OC)=CC=C1 AC021574 [0,2,0,0,0,0|1,0,0]=3 312 B12R1.1879 COC1=C(CO)C(=CC=C1)OC LN00186384 [0,2,0,0,0,0|0,0,0]=2 313 B12R1.1879 COC1=CC=CC(OC)=C1C=O AC130338 [0,2,0,0,0,0|0,0,0]=2 314 B12R1.78 COC1=CC(OC)=C(CN)C=C1 AC180289 [0,2,0,0,0,0|0,0,0]=2 315 B12R1.78 COC1=CC=C(CN)C(OC)=C1 AC510555 [0,2,0,0,0,0|0,0,0]=2 316 B12R1.78 COC1=CC=C(CO)C(OC)=C1 AC510943 [0,2,0,0,0,0|0,0,0]=2 317 B10R2.7 C1COC2=CSC=C2O1 AC181394 [0,0,0,1,1,0|1,0,0]=3 318 B12R2.44 COC1=CC2=C(C=C1)N=NS2 AC080647 [0,1,0,1,0,0|1,1,0]=4 319 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AC130085 [0,1,0,1,0,0|1,0,1]=4 320 B12R2.44 COC1=CC2=C(C=CS2)C=C1 AC020687 [0,1,0,1,0,0|0,1,1]=4 321 B12R2.44 COC1=CC2=C(NN=C2)C=C1 AC040194 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.44 COC1=CC2=C(OC=N2)C=C1 AC010313 [0,1,0,1,0,0|1,0,1]=4 323 B12R2.44 COC1=CC2=C(SN=N2)C=C1 AC080440 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.44 COC1=CC=C2C=NNC2=C1 AC182407 [0,1,0,1,0,0|1,0,1]=4 325 B12R2.44 COC1=CC=C2N=CSC2=C1 AC010336 [0,1,0,1,0,0|0,1,1]=4 326 B12R2.44 COC1=CC=C2SC=CC2=C1 AC010354 [0,1,0,1,0,0|1,0,1]=4 327 B12R2.44 N#CC1=CC2=C(OCO2)C=C1 AC170024 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.315 COC1=C2C=CNC2=CC=C1 AC500089 [0,1,0,1,0,0|1,0,1]=4 329 B12R2.315 COC1=CC=CC2=C1C=NN2 AC182406 [0,1,0,1,0,0|1,0,1]=4 330 B12R2.315 COC1=CC=CC2=C1NC=C2 AC160388 [0,1,0,1,0,0|1,0,1]=4 331 B12R2.315 COC1=CC=CC2=C1NC=C2 LN00006117 [0,1,0,1,0,0|1,0,1]=4 332 B10R1.3 CNC1=CC=C(OC)C=C1 AC510861 [0,0,0,0,1,1|1,0,0]=3 333 B10R1.3 COC1=CC=C(C=C1)C#C AC190261 [0,0,0,0,1,1|1,0,1]=4 334 B10R1.3 COC1=CC=C(C=O)C=C1 AC500184 [0,0,0,0,1,1|2,0,0]=4 335 B10R1.3 COC1=CC=C(C=O)C=N1 AC181500 [0,0,0,0,1,1|2,0,0]=4 336 B10R1.3 COC1=CC=C(CBr)C=C1 AC130033 [0,0,0,0,1,1|2,0,0]=4 337 B10R1.3 COC1=CC=C(CCl)C=C1 AC131684 [0,0,0,0,1,1|2,0,0]=4 338 B10R1.3 COC1=CC=C(CN)C=C1 AC290030 [0,0,0,0,1,1|2,0,0]=4 339 B10R1.3 COC1=CC=C(NN)C=C1 AC511584 [0,0,0,0,1,1|2,0,0]=4 340 B10R1.3 COC1=CN=C(CO)C=C1 AC511257 [0,0,0,0,1,1|2,0,0]=4 341 B10R1.3 COC1=NC=C(NN)C=C1 AC511963 [0,0,0,0,1,1|2,0,0]=4