0 B8R1.2 NCC1=NC=CC=C1 21601 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 IC1=CC=CC=C1 102614 [1,0,0,0,0,0|1,0,0]=2 2 B7R1.3 [NH+]1=CC=C(Cl)C=C1 101445 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.1 FC1=CC=C(CBr)C=C1 102290 [0,1,0,0,0,0|1,0,0]=2 4 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [0,1,0,0,0,0|0,0,2]=3 5 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [0,1,0,0,0,0|0,0,2]=3 6 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [0,1,0,0,0,0|1,0,1]=3 7 B9R1.2 CC1=CC=NC(C#N)=C1 1228 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.2 CC1=NC(C#N)=CC=C1 1226 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.2 CNC1=CC=CC(F)=N1 101262 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.2 COC1=CC=CC(F)=N1 102386 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.2 NCC1=CC=CC(Cl)=C1 102537 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.2 NCC1=CC=CC(N)=C1 102876 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.2 NNC1=CC=NC(F)=C1 103017 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.2 [NH3+]CC1=CC=CC(Cl)=C1 102479 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.6 NC(=S)C1=CC=CN=C1 20784 [0,1,0,0,0,0|1,1,1]=4 17 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [0,1,0,0,0,0|0,0,1]=2 18 B9R1.6 O=C(O)C1=CC=CN=C1 20778 [0,1,0,0,0,0|1,0,1]=3 19 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [0,1,0,0,0,0|1,0,1]=3 20 B9R1.8 COCC1=CC=CC=C1 102522 [0,1,0,0,0,0|0,0,0]=1 21 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [0,1,0,0,0,0|1,0,1]=3 22 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [0,1,0,0,0,0|1,0,1]=3 24 B9R1.8 NCCC1=CC=CC=C1 11614 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.8 NCCC1=CC=CC=C1 12328 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.15 CC1=C(CO)C=NC=C1 15752 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.15 CC1=CC=CC=C1CCl 16097 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.15 N#CC1=CC=CNC1=O 20435 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.15 NCC1=C(O)C=CC=C1 103068 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [0,1,0,0,0,0|0,0,2]=3 33 B9R1.15 O=CC1=CC=CC=C1O 20957 [0,1,0,0,0,0|0,0,2]=3 34 B9R2.50 C1=CC=C2CCC2=C1 16437 [0,0,0,1,0,0|1,0,0]=2 35 B9R2.50 C1=CCC2=C(C1)CC2 16438 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.1 C[Se]C1=CSC=C1 19191 [0,0,0,0,1,0|3,0,0]=4 37 B7R1.1 NCC1=CN=CN1 21313 [0,0,0,0,1,0|3,0,0]=4 38 B6R0.1 C=C\C=C(/C)CO 15823 [1,0,1,0,0,0|0,0,1]=3 39 B8R0.4 C=C\C=C\C=C\CCC 102625 [0,1,1,0,0,0|1,0,0]=3 40 B8R1.3 BrC1=CC=C(Br)C=C1 19131 [1,1,0,0,0,0|1,0,0]=3 41 B8R1.3 ClC1=CC=C(I)N=C1 101633 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.3 FC1=CN=C(F)C=C1 102007 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.4 BrC1=CC(I)=CN=C1 101632 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.4 CC1=CC=CC(I)=N1 100813 [1,1,0,0,0,0|1,0,0]=3 45 B8R1.4 CC1=CC=C[N+]([O-])=C1 4675 [1,1,0,0,0,0|1,0,0]=3 46 B8R1.4 CC1=CC=NC(S)=N1 20214 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.4 ClC1=CC(I)=CC=N1 100082 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.4 ClC1=CC=NC(Cl)=C1 100096 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.4 FC1=CC=NC(F)=C1 100267 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.4 FC1=CN=CC(F)=C1 101992 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.4 FC1=NC=CC(Cl)=C1 102387 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.4 FC1=NC=CC(I)=C1 101074 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.4 NC1=CC(Cl)=CC=N1 101260 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.4 NC1=CC(F)=CC=C1 20479 [1,1,0,0,0,0|1,0,0]=3 55 B8R1.4 NC1=CC=CC(N)=C1 21487 [1,1,0,0,0,0|1,0,0]=3 56 B8R1.4 NC1=NC(F)=CC=C1 101259 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.5 BrC1=C(I)C=NC=C1 100763 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.5 BrC1=CC=CN=C1I 101630 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.5 CC1=CC=CN=C1O 20633 [1,1,0,0,0,0|1,0,0]=3 60 B8R1.5 ClC1=CC=CN=C1I 101634 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.5 ClC1=CC=NC=C1Cl 100094 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.5 ClC1=NC=CC=C1I 100075 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.5 FC1=C(Cl)C=CN=C1 102021 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.5 FC1=C(I)C=CC=C1 102030 [1,1,0,0,0,0|1,0,0]=3 65 B8R1.5 FC1=CC=CN=C1Cl 102016 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.5 FC1=CC=CN=C1F 102003 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.5 FC1=NC=CC=C1Cl 101990 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.5 FC1=NC=CC=C1I 102077 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.5 NC1=CC=CC=C1N 22078 [1,1,0,0,0,0|1,0,0]=3 70 B8R1.5 NC1=CC=CN=C1Cl 20953 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.1 CC1=CC(CO)=NN1 19867 [0,1,0,0,1,0|2,0,0]=4 72 B8R1.7 O=C(O)C1=CSC=C1 1212 [0,1,0,0,1,0|1,0,1]=4 73 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [0,2,0,0,0,0|1,0,0]=3 74 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.1 O\N=CC1=CC=C(Br)C=C1 20648 [0,2,0,0,0,0|0,0,1]=3 77 B10R1.1 O\N=CC1=CC=C(C)C=C1 20713 [0,2,0,0,0,0|0,0,1]=3 78 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 19845 [0,2,0,0,0,0|0,0,1]=3 79 B10R1.1 O\N=C\C1=CC=C(O)C=C1 15709 [0,2,0,0,0,0|0,0,1]=3 80 B10R1.1 [N-]=[N+]=NC1=CC=C(Br)C=C1 22278 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.3 BrCC1=CC=C(CBr)C=C1 11611 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.3 COC1=CC=C(C=O)C=C1 15415 [0,2,0,0,0,0|0,0,2]=4 83 B10R1.3 COC1=CC=C(CN)C=C1 13748 [0,2,0,0,0,0|1,0,0]=3 84 B10R1.3 O=CC1=CC=C(C=O)C=C1 15842 [0,2,0,0,0,0|0,0,2]=4 85 B10R1.3 O=CC1=CC=C(CBr)C=C1 22181 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [0,2,0,0,0,0|0,0,1]=3 87 B10R1.13 CN(C)C1=CC=C(F)C=C1 102911 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [0,2,0,0,0,0|0,0,1]=3 89 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [0,2,0,0,0,0|1,0,1]=4 90 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [0,2,0,0,0,0|0,0,1]=3 91 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [0,2,0,0,0,0|1,0,1]=4 92 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [0,2,0,0,0,0|1,0,1]=4 93 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [0,2,0,0,0,0|1,0,1]=4 94 B10R1.25 CC1=CC=C(CCl)C(C)=C1 16098 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.25 O=CC1=C(O)C=C(O)C=C1 15667 [0,2,0,0,0,0|0,0,2]=4 96 B10R1.176 COC1=CC=C(Br)C(C)=C1 16780 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.176 COC1=CC=C(Cl)C(C)=C1 16021 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.176 NCC1=CC(O)=C(O)C=C1 20755 [0,2,0,0,0,0|1,0,0]=3 99 B10R1.176 O=CC1=CC=C(Cl)C(Cl)=C1 15845 [0,2,0,0,0,0|0,0,2]=4 100 B10R1.2 O=CC1=CC=CC(F)=C1F 103010 [0,2,0,0,0,0|0,0,2]=4 101 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=C1 12300 [0,2,0,0,0,0|0,0,2]=4 102 B10R1.10 CCOC1=CC(Cl)=CC=N1 102384 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.10 CCOC1=CC=CC(F)=N1 102383 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.10 N#CCC1=CC=CC(F)=C1 102623 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.10 NCCC1=CC(O)=CC=C1 17137 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.10 O\N=C\C1=CC=CC(Br)=C1 102460 [0,2,0,0,0,0|0,0,1]=3 107 B10R1.10 O\N=C\C1=CC=CC(Cl)=C1 102223 [0,2,0,0,0,0|0,0,1]=3 108 B10R1.10 O\N=C\C1=CC=CC(O)=C1 102535 [0,2,0,0,0,0|0,0,1]=3 109 B10R1.30 CC1=C(CO)C=[N+]([O-])C=C1 15764 [0,2,0,0,0,0|1,0,0]=3 110 B10R1.30 O=CC1=CC(F)=CC=C1F 102033 [0,2,0,0,0,0|0,0,2]=4 111 B10R1.30 OCC1=CC(F)=CC=C1F 102036 [0,2,0,0,0,0|0,0,0]=2 112 B10R1.113 CC1=CC=CC(C(Br)Br)=N1 1224 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.113 CN(C)C1=CC(F)=CC=C1 102890 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.113 NC(=O)C1=CC=CC(F)=C1 102469 [0,2,0,0,0,0|0,0,2]=4 115 B10R1.113 O=C(O)C1=CC(F)=NC=C1 100685 [0,2,0,0,0,0|1,0,1]=4 116 B10R1.113 O=C(O)C1=CC(O)=CC=C1 18167 [0,2,0,0,0,0|0,0,1]=3 117 B10R1.113 O=C(O)C1=CC=CC(F)=N1 100675 [0,2,0,0,0,0|1,0,1]=4 118 B10R1.113 O=C(O)C1=CN=CC(F)=C1 100682 [0,2,0,0,0,0|1,0,1]=4 119 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [0,2,0,0,0,0|0,0,2]=4 120 B10R1.15 CC(C#N)C1=CC=CC=C1 14750 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [0,2,0,0,0,0|0,0,2]=4 122 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [0,2,0,0,0,0|1,0,1]=4 123 B10R1.15 C\C(=N/O)C1=CC=CC=C1 16747 [0,2,0,0,0,0|0,0,1]=3 124 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [0,2,0,0,0,0|1,0,1]=4 125 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [0,2,0,0,0,0|0,0,0]=2 126 B10R1.15 N\C(=N\O)C1=CC=CC=C1 12254 [0,2,0,0,0,0|0,0,1]=3 127 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [0,2,0,0,0,0|1,0,0]=3 128 B10R1.15 OCC(O)C1=CC=CC=C1 731 [0,2,0,0,0,0|0,0,0]=2 129 B10R1.15 O\N=C(\O)C1=CC=CC=C1 12250 [0,2,0,0,0,0|0,0,1]=3 130 B10R1.28 FC(F)(F)C1=CC=CN=C1 100810 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.28 FC(F)(F)C1=CC=NC=C1 100812 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.28 FC(F)(F)C1=NC=CC=C1 100816 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15747 [0,2,0,0,0,0|1,0,1]=4 134 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15765 [0,2,0,0,0,0|1,0,1]=4 135 B10R1.61 CC1=CC=CC=C1C(=O)Br 16795 [0,2,0,0,0,0|0,0,2]=4 136 B10R1.61 CN(C)C1=C(F)C=CC=C1 102910 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.61 NC(=O)C1=CC=CC=C1F 102470 [0,2,0,0,0,0|0,0,2]=4 138 B10R1.61 NC(=O)C1=CC=CC=C1I 10354 [0,2,0,0,0,0|0,0,2]=4 139 B10R1.61 NC1=CC=CC=C1C(=O)O 22066 [0,2,0,0,0,0|0,0,1]=3 140 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 101190 [0,2,0,0,0,0|0,0,1]=3 141 B10R1.61 O=C(O)C1=C(F)C=CC=N1 100687 [0,2,0,0,0,0|1,0,1]=4 142 B10R1.61 O=C(O)C1=C(F)C=NC=C1 100632 [0,2,0,0,0,0|1,0,1]=4 143 B10R1.61 O=C(O)C1=C(F)N=CC=C1 100686 [0,2,0,0,0,0|1,0,1]=4 144 B10R1.61 O=C(O)C1=C(O)C=CC=C1 15776 [0,2,0,0,0,0|0,0,1]=3 145 B10R1.61 O=C(O)C1=CC=CC=C1F 100197 [0,2,0,0,0,0|0,0,1]=3 146 B10R1.61 O=C(O)C1=CC=NC=C1Cl 100086 [0,2,0,0,0,0|1,0,1]=4 147 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 20069 [0,2,0,0,0,0|1,0,1]=4 148 B10R1.4 CC1=C(\C=N\O)C=NC=C1 15754 [0,2,0,0,0,0|1,0,1]=4 149 B10R1.4 CC1=CC=CC=C1NC=O 20052 [0,2,0,0,0,0|0,0,2]=4 150 B10R1.4 O\N=CC1=CC=CC=C1Br 20508 [0,2,0,0,0,0|0,0,1]=3 151 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [0,2,0,0,0,0|1,0,1]=4 152 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [0,2,0,0,0,0|1,0,0]=3 153 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [0,2,0,0,0,0|0,0,1]=3 154 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [0,2,0,0,0,0|0,1,0]=3 155 B10R1.17 O=CNNC1=CC=CC=C1 16370 [0,2,0,0,0,0|0,0,2]=4 156 B10R1.18 BrC(Br)=CC1=CC=CC=C1 12060 [0,2,0,0,0,0|1,0,1]=4 157 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [0,2,0,0,0,0|0,0,1]=3 158 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [0,2,0,0,0,0|0,0,2]=4 159 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [0,2,0,0,0,0|1,0,0]=3 160 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [0,2,0,0,0,0|0,0,0]=2 161 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [0,2,0,0,0,0|0,0,0]=2 162 B10R1.20 CCC1=CC=CC=C1C=O 102267 [0,2,0,0,0,0|1,0,0]=3 163 B10R1.20 COC1=C(CCl)C=CC=C1 21479 [0,2,0,0,0,0|1,0,0]=3 164 B10R1.20 N#CC1=CC=CC=C1CBr 10162 [0,2,0,0,0,0|1,0,0]=3 165 B10R1.20 O=CC1=CC=CC=C1C=O 15837 [0,2,0,0,0,0|0,0,2]=4 166 B10R1.20 SCC1=CC=CC=C1CS 814 [0,2,0,0,0,0|0,1,0]=3 167 B10R1.245 O=CC1=C(F)C=CC=C1F 102032 [0,2,0,0,0,0|0,0,2]=4 168 B10R2.320 CC1CC2=CC=CC=C21 16579 [0,1,0,1,0,0|1,0,0]=3 169 B10R2.320 ClC1CC2=CC=CC=C21 16435 [0,1,0,1,0,0|1,0,0]=3 170 B10R2.320 O=C1CC2=CC=CC=C12 16218 [0,1,0,1,0,0|0,0,1]=3 171 B10R2.320 OC1CC2=CC=CC=C21 16154 [0,1,0,1,0,0|0,0,0]=2 172 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [0,1,0,1,0,0|1,0,0]=3 173 B6R1.2 CC1=NNC=C1 16756 [1,0,0,0,1,0|2,0,0]=4 174 B6R1.2 OC1=NNC=C1 20767 [1,0,0,0,1,0|2,0,0]=4