0 B11R2.1 BrC1=C2C=CC=CN2N=C1 20523 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=CN=C2C=CC=CN12 20519 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 BrC1=NOC2=NC=CC=C12 20690 [0,0,0,0,0,0|2,0,0]=2 3 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.1 CN1N=CC2=C1N=CC=C2 20699 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.1 ClC1=NN=C2C=CC=CC12 20517 [0,0,0,0,0,0|2,0,1]=3 7 B11R2.1 ClC1=NOC2=C1C=CC=N2 20480 [0,0,0,0,0,0|2,0,0]=2 8 B11R2.1 OC1=NN=C2C=CC=CN12 20582 [0,0,0,0,0,0|2,0,0]=2 9 B11R2.1 [N-]=[N+]1ONC2=CC=CC=C21 22285 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 830 [0,0,0,0,0,0|3,0,1]=4 11 B10R2.7 N1N=CC2=CC=CN=C21 20622 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.1 COC1=CCC2=CC=CC=C21 16665 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.1 N\N=C1\CCC2=CC=CC=C21 10291 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 18545 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.18 CC1=C(C)C2=CC=CC=C2C1 16651 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 16046 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.18 CC1=CC2=CC=CC=C2C1O 16748 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.18 CC1CC2=CC=CC=C2C1=O 16626 [0,1,0,0,0,0|2,0,1]=4 19 B12R2.18 O=C1NC2=CC=CC=C2C1=O 20896 [0,1,0,0,0,0|2,0,1]=4 20 B12R2.132 OC1CCC2=CC=C(Br)C=C21 19214 [0,1,0,0,0,0|2,0,1]=4 21 B12R2.203 CC1=C2C(=O)OCC2=CC=C1 16414 [0,1,0,0,0,0|2,0,1]=4 22 B12R2.203 O=C1OCC2=C1C(F)=CC=C2 101170 [0,1,0,0,0,0|2,0,1]=4 23 B12R2.2028 CC1=CC(O)C2=CC=CC=C12 16634 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.2028 CC1C=C(Cl)C2=CC=CC=C21 16666 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 16621 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.2028 O=C1C=[N+]([O-])C2=CC=CC=C12 10666 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 13758 [0,1,0,0,0,0|2,0,1]=4 28 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 16304 [0,1,0,0,0,0|2,0,1]=4 29 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 836 [0,1,0,0,0,0|2,0,1]=4 30 B12R2.2028 [N-]=[N+]1N=[N+]([O-])C2=CC=CC=C21 22287 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [0,0,1,0,0,0|2,0,1]=4 32 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [0,0,1,0,0,0|1,0,2]=4 33 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [0,0,1,0,0,0|3,0,0]=4 34 B10R1.15 C\C(=N/O)C1=CC=CC=C1 16747 [0,0,1,0,0,0|1,0,0]=2 35 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [0,0,1,0,0,0|2,0,1]=4 37 B10R1.15 N\C(=N\O)C1=CC=CC=C1 12254 [0,0,1,0,0,0|1,0,0]=2 38 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [0,0,1,0,0,0|2,0,1]=4 39 B10R1.15 OCC(O)C1=CC=CC=C1 731 [0,0,1,0,0,0|1,0,1]=3 40 B10R1.15 O\N=C(\O)C1=CC=CC=C1 12250 [0,0,1,0,0,0|0,0,0]=1 41 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.17 O=CNNC1=CC=CC=C1 16370 [0,0,1,0,0,0|1,0,2]=4 43 B10R1.20 CCC1=CC=CC=C1C=O 102267 [0,0,1,0,0,0|2,0,1]=4 44 B10R1.20 COC1=C(CCl)C=CC=C1 21479 [0,0,1,0,0,0|2,0,1]=4 45 B10R1.20 O=CC1=CC=CC=C1C=O 15837 [0,0,1,0,0,0|2,0,1]=4 46 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15747 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15765 [0,0,1,0,0,0|3,0,0]=4 48 B10R1.61 CC1=CC=CC=C1C(=O)Br 16795 [0,0,1,0,0,0|2,0,1]=4 49 B10R1.61 NC(=O)C1=CC=CC=C1F 102470 [0,0,1,0,0,0|1,0,2]=4 50 B10R1.61 NC(=O)C1=CC=CC=C1I 10354 [0,0,1,0,0,0|1,0,2]=4 51 B10R1.61 NC1=CC=CC=C1C(=O)O 22066 [0,0,1,0,0,0|2,0,0]=3 52 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 101190 [0,0,1,0,0,0|2,0,0]=3 53 B10R1.61 O=C(O)C1=C(F)C=CC=N1 100687 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.61 O=C(O)C1=C(F)C=NC=C1 100632 [0,0,1,0,0,0|3,0,0]=4 55 B10R1.61 O=C(O)C1=C(F)N=CC=C1 100686 [0,0,1,0,0,0|3,0,0]=4 56 B10R1.61 O=C(O)C1=C(O)C=CC=C1 15776 [0,0,1,0,0,0|1,0,0]=2 57 B10R1.61 O=C(O)C1=CC=CC=C1F 100197 [0,0,1,0,0,0|2,0,0]=3 58 B10R1.61 O=C(O)C1=CC=NC=C1Cl 100086 [0,0,1,0,0,0|3,0,0]=4 59 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 20069 [0,0,1,0,0,0|2,0,1]=4 60 B10R2.320 CC1CC2=CC=CC=C21 16579 [0,0,0,0,1,0|2,0,1]=4 61 B10R2.320 ClC1CC2=CC=CC=C21 16435 [0,0,0,0,1,0|2,0,1]=4 62 B10R2.320 O=C1CC2=CC=CC=C12 16218 [0,0,0,0,1,0|1,0,1]=3 63 B10R2.320 OC1CC2=CC=CC=C21 16154 [0,0,0,0,1,0|1,0,1]=3 64 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [0,0,0,0,1,0|2,0,1]=4 65 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 101960 [0,0,0,0,0,1|3,0,0]=4 66 B12R2.24 CC1=CC2=CC=CC=C2C=N1 16471 [0,0,0,0,0,1|2,0,0]=3 67 B12R2.24 FC1=CC2=C(C=CC=C2)N=C1 100817 [0,0,0,0,0,1|3,0,0]=4 68 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [0,0,0,0,0,1|2,0,1]=4 69 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [0,0,0,0,0,1|2,0,1]=4 70 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [0,0,0,0,0,1|1,1,1]=4 71 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [0,0,0,0,0,1|2,0,1]=4 72 B12R2.1081 O=C1C=CNC2=CC=CC=C12 101470 [0,0,0,0,0,1|2,0,1]=4 73 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [1,0,1,0,0,0|0,0,1]=3 74 B9R1.6 O=C(O)C1=CC=CN=C1 20778 [1,0,1,0,0,0|1,0,1]=4 75 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [1,0,1,0,0,0|2,0,0]=4 77 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [1,0,1,0,0,0|2,0,0]=4 78 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [1,0,1,0,0,0|2,0,0]=4 79 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [1,0,1,0,0,0|2,0,0]=4 80 B9R1.15 NCC1=C(O)C=CC=C1 103068 [1,0,1,0,0,0|0,0,2]=4 81 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [1,0,1,0,0,0|1,0,1]=4 82 B9R1.15 O=CC1=CC=CC=C1O 20957 [1,0,1,0,0,0|0,0,1]=3 83 B11R1.16 OCCC(O)C1=CC=CC=C1 12195 [0,1,1,0,0,0|1,0,1]=4 84 B11R1.22 ON=C(Cl)C1=CC=C(Cl)C=C1 20114 [0,1,1,0,0,0|1,0,0]=3 85 B11R1.222 O\N=C(\O)C1=C(O)C=CC=C1 12260 [0,1,1,0,0,0|0,0,0]=2 86 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.156 CC1=CC=CC(O)=C1C(=O)O 15231 [0,1,1,0,0,0|1,0,0]=3 89 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Br 100202 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Cl 101421 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F 101426 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.156 O=C(O)C1=C(Br)C=CC=C1I 102776 [0,1,1,0,0,0|2,0,0]=4 93 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl 100043 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1I 101411 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.156 O=C(O)C1=C(F)C=CC=C1Cl 100018 [0,1,1,0,0,0|2,0,0]=4 96 B11R1.156 O=C(O)C1=C(F)C=CC=C1F 100020 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.156 O=C(O)C1=C(F)C=CC=C1O 101187 [0,1,1,0,0,0|1,0,0]=3 98 B11R1.156 O=C(O)C1=C(I)C=CC=C1F 101430 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.156 O=C(O)C1=C(O)C=CC=C1Cl 101165 [0,1,1,0,0,0|1,0,0]=3 100 B11R1.156 [2H]C1=CC=CC([2H])=C1C(=O)O 100219 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.156 [NH3+]C1=CC=CC(F)=C1C(=O)O 102502 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.159 CC1=CC=CC(C(=O)O)=C1F 102174 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.159 O=C(O)C1=C(Br)C(Br)=CC=C1 101413 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 101444 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 101408 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 100024 [0,1,1,0,0,0|2,0,0]=4 107 B11R1.159 O=C(O)C1=C(Cl)C(O)=CC=C1 101185 [0,1,1,0,0,0|2,0,0]=4 108 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 101424 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 101433 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 102969 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 101422 [0,1,1,0,0,0|2,0,0]=4 112 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 101159 [0,1,1,0,0,0|2,0,0]=4 113 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O 101176 [0,1,1,0,0,0|1,0,0]=3 114 B11R1.159 O=C(O)C1=CC=CC(F)=C1O 101153 [0,1,1,0,0,0|1,0,0]=3 115 B11R1.159 [NH3+]C1=C(O)C(C(=O)O)=CC=C1 102477 [0,1,1,0,0,0|1,0,0]=3 116 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 102172 [0,1,1,0,0,0|2,0,0]=4 117 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 15222 [0,1,1,0,0,0|2,0,0]=4 118 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 101300 [0,1,1,0,0,0|2,0,0]=4 119 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 101178 [0,1,1,0,0,0|1,0,0]=3 120 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1O 101171 [0,1,1,0,0,0|1,0,0]=3 121 B11R1.166 O=C(O)C1=CC=C(F)C=C1F 102048 [0,1,1,0,0,0|2,0,0]=4 122 B11R1.166 O=C(O)C1=CC=C(I)C=C1F 102972 [0,1,1,0,0,0|2,0,0]=4 123 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl 101155 [0,1,1,0,0,0|2,0,0]=4 124 B11R1.166 O=C(O)C1=CC=C(O)C=C1F 101158 [0,1,1,0,0,0|2,0,0]=4 125 B11R1.167 CC1=CC=C(C)C(C(=O)O)=C1 16548 [0,1,1,0,0,0|2,0,0]=4 126 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 101186 [0,1,1,0,0,0|2,0,0]=4 127 B11R1.167 CC1=CC=C(F)C(C(=O)O)=C1 102177 [0,1,1,0,0,0|2,0,0]=4 128 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 101414 [0,1,1,0,0,0|2,0,0]=4 129 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 101409 [0,1,1,0,0,0|2,0,0]=4 130 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 101410 [0,1,1,0,0,0|2,0,0]=4 131 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 101412 [0,1,1,0,0,0|2,0,0]=4 132 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 101442 [0,1,1,0,0,0|2,0,0]=4 133 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 101177 [0,1,1,0,0,0|1,0,0]=3 134 B11R1.167 O=C(O)C1=CC(Br)=CC=C1F 101425 [0,1,1,0,0,0|2,0,0]=4 135 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1Cl 100013 [0,1,1,0,0,0|2,0,0]=4 136 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F 100049 [0,1,1,0,0,0|2,0,0]=4 137 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1O 101157 [0,1,1,0,0,0|1,0,0]=3 138 B11R1.167 O=C(O)C1=CC(F)=CC=C1F 100037 [0,1,1,0,0,0|2,0,0]=4 139 B11R1.167 O=C(O)C1=CC(O)=CC=C1Cl 101156 [0,1,1,0,0,0|2,0,0]=4 140 B11R1.167 O=C(O)C1=CC(O)=CC=C1F 101189 [0,1,1,0,0,0|2,0,0]=4 141 B11R2.10 S=C1NC2=CC=CC=C2O1 18932 [1,1,0,0,0,0|2,0,0]=4 142 B11R2.10 SC1=NC2=CC=CC=C2O1 10015 [1,1,0,0,0,0|2,0,0]=4 143 B11R2.36 BrC1=CC=C2CC=CC2=C1 19937 [1,1,0,0,0,0|2,0,0]=4 144 B11R2.54 O=C1C(=O)C2=CC=CC=C12 16264 [0,1,0,0,1,0|1,0,1]=4 145 B11R2.54 O=C1C2=CC=CC=C2C1Cl 16693 [0,1,0,0,1,0|1,0,1]=4 146 B11R2.59 CC1(O)CC2=CC=CC=C21 16426 [0,1,0,0,1,0|1,0,1]=4 147 B11R2.59 [2H]C1(O)CC2=CC=CC=C21 16155 [0,1,0,0,1,0|1,0,1]=4 148 B11R2.104 CC1=C2CC(=O)C2=CC=C1 16220 [0,1,0,0,1,0|1,0,1]=4 149 B11R2.117 CC1=CC=C2CC(=O)C2=C1 16222 [0,1,0,0,1,0|1,0,1]=4 150 B11R2.363 CC1=CC=C2C(=O)CC2=C1 16221 [0,1,0,0,1,0|1,0,1]=4 151 B11R2.468 O=C1CC2=CC=CC(Br)=C12 16263 [0,1,0,0,1,0|1,0,1]=4 152 B11R2.468 O=C1CC2=CC=CC(Cl)=C12 16262 [0,1,0,0,1,0|1,0,1]=4 153 B11R2.468 O=C1CC2=CC=CC(F)=C12 16261 [0,1,0,0,1,0|1,0,1]=4 154 B11R2.468 OC1CC2=CC=CC(F)=C21 16158 [0,1,0,0,1,0|1,0,1]=4 155 B11R2.988 ON=C1CC2=CC=CC=C21 16706 [0,1,0,0,1,0|1,0,0]=3 156 B13R2.57 OCC1=CC2=C(C=CC=C2)C=C1 20619 [0,1,0,0,0,1|2,0,0]=4 157 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 10608 [0,1,0,0,0,1|2,0,0]=4 158 B13R2.369 O=C1OC2=CC=CC=C2C=C1F 101385 [0,1,0,0,0,1|2,0,0]=4 159 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 10794 [0,1,0,0,0,1|2,0,0]=4 160 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 10896 [0,1,0,0,0,1|2,0,0]=4 161 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 17133 [0,2,0,0,0,0|1,1,0]=4 162 B13R2.2931 COC1=CC(C)C2=CC=CC=C12 16639 [0,2,0,0,0,0|2,0,0]=4 163 B11R2.20 C1=CC=C2C=NC=CC2=C1 101921 [0,0,1,1,0,0|2,0,0]=4 164 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [0,0,1,1,0,0|2,0,0]=4 165 B9R2.50 C1=CC=C2CCC2=C1 16437 [1,0,0,0,1,0|1,0,1]=4 166 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 102170 [0,0,1,0,0,1|2,0,0]=4 167 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20759 [0,0,1,0,0,1|1,0,0]=3 168 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [0,0,1,0,0,1|2,0,0]=4 169 B11R1.86 O=C(O)CC1=CC=CC=C1O 19282 [0,0,1,0,0,1|1,0,0]=3