0 B8R1.2 BrCC1=CC=CC=C1 00332 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 C#CC1=CC=CC=C1 24540 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.2 CC[N+]1=CC=CC=C1 31419 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 CNC1=CN=CC=C1 18208 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 COC1=CC=CC=C1 02045 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 COC1=CC=NC=C1 28387 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 COC1=NC=CC=C1 27017 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 ClCC1=CC=CN=C1 06928 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 ClCC1=CC=NC=C1 06929 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 ClCC1=CN=CN=C1 24067 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 ClCC1=NC=CC=C1 06927 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 N#CC1=CC=CC=C1 27352 [0,0,0,0,0,0|1,0,1]=2 12 B8R1.2 N#CC1=CC=NC=C1 27057 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.2 N#CC1=NC=CN=C1 27679 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.2 NCC1=CC=CC=C1 29916 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.2 NCC1=CC=CN=C1 27056 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.2 NCC1=CC=NC=C1 27066 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.2 NCC1=CC=NC=C1 28201 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.2 NCC1=CN=CC=N1 23715 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 NCC1=NC=CC=N1 18223 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.2 NCC1=NC=CC=N1 23716 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.2 NNC1=CC=CC=C1 02348 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.2 NNC1=CN=CC=N1 17541 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 NNC1=NC=CC=N1 25034 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.2 O=CC1=CC=NC=C1 07252 [0,0,0,0,0,0|1,0,2]=3 25 B8R1.2 O=CC1=CN=CN=C1 17090 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.2 O=CC1=NC=CC=C1 02023 [0,0,0,0,0,0|1,0,2]=3 27 B8R1.2 O=CC1=NC=CN=C1 17542 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.2 OCC1=CC=CC=C1 00371 [0,0,0,0,0,0|0,0,0]=0 29 B8R1.2 OCC1=CC=CN=C1 27054 [0,0,0,0,0,0|1,0,0]=1 30 B8R1.2 OCC1=CC=CN=N1 26187 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.2 OCC1=CC=NC=C1 12966 [0,0,0,0,0,0|1,0,0]=1 32 B8R1.2 OCC1=CN=CN=C1 26173 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.2 OCC1CCC=CO1 12987 [0,0,0,0,0,0|1,0,3]=4 34 B7R1.3 BrC1=CC=CN=C1 27044 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 BrC1=CC=CN=C1 29560 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 BrC1=CC=NC=C1 28252 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.3 BrC1=NC=CC=C1 30363 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 CC1=CC=CC=C1 01740 [1,0,0,0,0,0|0,0,0]=1 39 B7R1.3 CC1=CC=CC=C1 30234 [1,0,0,0,0,0|0,0,0]=1 40 B7R1.3 CC1=CC=CN=C1 27052 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.3 CC1=CC=NC=C1 29179 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 CC1=NC=CC=C1 27038 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.3 CC1=NC=CN=C1 31194 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.3 ClC1=CC=CN=C1 27046 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 ClC1=CC=NC=C1 27337 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 ClC1=NC=CC=C1 32073 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 ClC1=NC=CC=N1 26977 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 ClC1=NN=CC=C1 26208 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 FC1=CC=CN=C1 27045 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.3 FC1=NC=CC=C1 27001 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 IC1=CC=CC=N1 30769 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 IC1=CC=CN=C1 22280 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 NC1=CC=NC=C1 27983 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 NC1=CC=NN=C1 20858 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.3 NC1=CN=CN=C1 19494 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.3 NC1=NC=CC=C1 27027 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 NC1=NC=CN=C1 24511 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.3 O=C1C=CNC=N1 27537 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.3 OC1=CC=CN=C1 02324 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.3 OC1=NC=CC=C1 02323 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.3 OC1=NC=CC=N1 28592 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.3 SC1=NC=CC=C1 12993 [1,0,0,0,0,0|1,1,0]=3 63 B7R1.3 SC1=NC=CC=N1 26978 [1,0,0,0,0,0|2,1,0]=4 64 B7R1.3 [O-][N+]1=CC=CC=C1 26988 [1,0,0,0,0,0|1,0,1]=3 65 B7R1.3 [SiH3]C1=CC=CC=C1 31483 [1,0,0,0,0,0|0,1,0]=2 66 B9R1.1 BrCC1=CC=C(Br)C=C1 07248 [0,1,0,0,0,0|1,0,0]=2 67 B9R1.1 C#CC1=CC=C(N)C=C1 28132 [0,1,0,0,0,0|1,0,1]=3 68 B9R1.1 CC1=CC=C(CCl)C=C1 06828 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.1 CC1=CC=C(CO)C=C1 15163 [0,1,0,0,0,0|0,0,0]=1 70 B9R1.1 CC1=CN=C(C#N)C=C1 28914 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.1 CC1=NC=C(C#N)C=C1 27540 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.1 CCC1=CC=C(Br)C=C1 26736 [0,1,0,0,0,0|1,0,0]=2 73 B9R1.1 CNC1=CC=C(O)C=C1 32029 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.1 COC1=CC=C(Br)C=C1 30359 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.1 COC1=CC=C(Br)C=N1 28496 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.1 COC1=CC=C(C)C=C1 27173 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.1 COC1=CC=C(C)C=N1 29129 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.1 COC1=CC=C(C)N=C1 29217 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.1 COC1=CC=C(F)C=C1 30024 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.1 COC1=CC=C(I)C=N1 29054 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.1 COC1=CC=C(I)N=C1 10588 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.1 COC1=CC=C(N)N=C1 26213 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.1 COC1=CC=[N+]([O-])C=C1 26996 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.1 COC1=CN=C(Cl)C=C1 28971 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.1 COC1=NC=C(Cl)C=C1 19104 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.1 COC1=NC=C(N)C=C1 27019 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.1 ClCC1=CN=C(Cl)C=C1 27917 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.1 N#CC1=CC=C(Br)C=N1 25758 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.1 N#CC1=CC=C(Br)N=C1 17045 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.1 N#CC1=CC=C(Cl)N=C1 27882 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.1 N#CC1=CC=C(N)C=N1 28683 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.1 N#CC1=CC=[N+]([O-])C=C1 26994 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.1 N#CC1=CN=C(N)C=C1 27932 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.1 N#CC1=CN=C(O)C=C1 29306 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.1 N#CC1=NC=C(Cl)C=C1 28788 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.1 NC1=CC=C(CCl)N=C1 29166 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.1 NC1=CC=C(CO)C=C1 29757 [0,1,0,0,0,0|0,0,0]=1 98 B9R1.1 NCC1=CC=C(Br)N=C1 19332 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.1 NCC1=CC=C(O)C=C1 17203 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.1 NNC1=CC=C(Cl)C=C1 21870 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.1 NNC1=CC=C(F)C=C1 31299 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.1 O=CC1=CC=C(Br)C=C1 21850 [0,1,0,0,0,0|0,0,2]=3 103 B9R1.1 O=CC1=CC=C(Cl)C=C1 31158 [0,1,0,0,0,0|0,0,2]=3 104 B9R1.1 O=CC1=CC=C(F)C=C1 30012 [0,1,0,0,0,0|0,0,2]=3 105 B9R1.1 O=CC1=CC=C(I)C=C1 22320 [0,1,0,0,0,0|0,0,2]=3 106 B9R1.1 O=CC1=CC=C(O)C=C1 03776 [0,1,0,0,0,0|0,0,2]=3 107 B9R1.1 O=CC1=CC=C([O-])C=C1 24249 [0,1,0,0,0,0|0,0,2]=3 108 B9R1.1 O=CC1=CN=C(Br)C=C1 31251 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.1 O=CC1=CN=C(Cl)C=C1 31273 [0,1,0,0,0,0|1,0,2]=4 110 B9R1.1 OCC1=CC=C(Cl)C=C1 31156 [0,1,0,0,0,0|0,0,0]=1 111 B9R1.1 OCC1=CC=C(F)C=C1 30025 [0,1,0,0,0,0|0,0,0]=1 112 B9R1.1 OCC1=CC=C(O)C=C1 00198 [0,1,0,0,0,0|0,0,0]=1 113 B9R1.1 OCC1=CN=C(Br)C=C1 17561 [0,1,0,0,0,0|1,0,0]=2 114 B9R1.1 OCC1=NC=C(Cl)C=C1 26335 [0,1,0,0,0,0|1,0,0]=2 115 B9R1.2 BrCC1=CC(Br)=CC=C1 00425 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.2 C#CC1=CC=CC(N)=C1 27389 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.2 CC1=CC(C#N)=NC=C1 27929 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.2 CC1=CC(CN)=NC=C1 26193 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.2 CC1=CN=CC(CCl)=C1 29342 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.2 CC1=NC(CCl)=CC=C1 28539 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.2 CC1=NC(CN)=CC=C1 17766 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.2 CCC1=CC(Br)=NC=C1 28599 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.2 CCC1=CC(N)=NC=C1 27934 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.2 CCC1=CC=CC(Br)=C1 28104 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.2 CCC1=CC=CC(O)=C1 26816 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.2 CCC1=CC=CC(O)=C1 29553 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.2 CCC1=NC(C)=CC=C1 27484 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.2 COC1=CC(Br)=NC=C1 28934 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.2 COC1=CC(Cl)=CC=N1 17704 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.2 COC1=CC(N)=CC=N1 17450 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.2 COC1=CC(N)=NC=C1 26221 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.2 COC1=CC=CC(Br)=C1 21480 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.2 COC1=CC=CC(C)=N1 28841 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.2 COC1=CC=CC(Cl)=C1 26754 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.2 COC1=CC=CC(F)=C1 30017 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.2 COC1=CC=CC(N)=N1 17159 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.2 COC1=CC=CC(O)=C1 00432 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.2 COC1=CC=NC(Cl)=C1 26079 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.2 COC1=NC(Br)=CC=C1 27894 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.2 COC1=NC(Cl)=CC=C1 27020 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.2 COC1=NC=CC(C)=C1 28913 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.2 ClC1=CC(CBr)=CC=C1 14035 [0,1,0,0,0,0|1,0,0]=2 143 B9R1.2 FC1=CC(CBr)=CC=C1 07254 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.2 N#CC1=CC(Br)=CN=C1 25548 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.2 N#CC1=CC(Cl)=NC=C1 28142 [0,1,0,0,0,0|2,0,1]=4 146 B9R1.2 N#CC1=CC=CC(Cl)=N1 28316 [0,1,0,0,0,0|2,0,1]=4 147 B9R1.2 N#CC1=CC=CC(N)=C1 27142 [0,1,0,0,0,0|1,0,1]=3 148 B9R1.2 N#CC1=NC(Br)=CC=C1 28258 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.2 NCC1=CC(I)=CC=C1 28182 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.2 NCC1=CC=CC(I)=C1 27339 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.2 O=CC1=CC(Br)=CC=C1 21244 [0,1,0,0,0,0|0,0,2]=3 152 B9R1.2 O=CC1=CC(Br)=NC=C1 28825 [0,1,0,0,0,0|1,0,2]=4 153 B9R1.2 O=CC1=CC(Cl)=CC=C1 31157 [0,1,0,0,0,0|0,0,2]=3 154 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [0,1,0,0,0,0|0,0,2]=3 155 B9R1.2 O=CC1=CC(F)=NC=C1 26194 [0,1,0,0,0,0|1,0,2]=4 156 B9R1.2 O=CC1=CC(O)=CC=C1 21925 [0,1,0,0,0,0|0,0,2]=3 157 B9R1.2 O=CC1=CC(O)=NC=C1 17656 [0,1,0,0,0,0|1,0,2]=4 158 B9R1.2 O=CC1=CC=CC(Br)=N1 16982 [0,1,0,0,0,0|1,0,2]=4 159 B9R1.2 OCC1=CC(F)=CC=C1 31155 [0,1,0,0,0,0|0,0,0]=1 160 B9R1.2 OCC1=NC(Br)=CC=C1 24708 [0,1,0,0,0,0|1,0,0]=2 161 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [0,1,0,0,0,0|0,0,2]=3 162 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [0,1,0,0,0,0|0,0,2]=3 163 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [0,1,0,0,0,0|1,0,2]=4 164 B9R1.6 CC(N)C1=CC=NC=C1 17007 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.6 CC(N)C1=CN=CC=C1 17106 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.6 CC(N)C1=NC=CC=C1 17105 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.6 CN(C)C1=CC=NC=C1 00120 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.6 CN(C)C1=CC=NC=C1 30845 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.6 CN(C)C1=CC=NC=C1 30846 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [0,1,0,0,0,0|1,0,0]=2 172 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [0,1,0,0,0,0|1,0,1]=3 173 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [0,1,0,0,0,0|1,0,1]=3 174 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [0,1,0,0,0,0|1,0,2]=4 176 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [0,1,0,0,0,0|1,0,2]=4 177 B9R1.6 O=C(Cl)C1=CC=CN=C1 06993 [0,1,0,0,0,0|1,0,2]=4 178 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [0,1,0,0,0,0|0,0,1]=2 179 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [0,1,0,0,0,0|0,0,1]=2 180 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [0,1,0,0,0,0|0,0,1]=2 181 B9R1.6 O=C(O)C1=CC=CN=C1 01616 [0,1,0,0,0,0|1,0,1]=3 182 B9R1.6 O=C(O)C1=CC=NC=C1 27060 [0,1,0,0,0,0|1,0,1]=3 183 B9R1.6 O=C(O)C1=NC=CC=C1 03556 [0,1,0,0,0,0|1,0,1]=3 184 B9R1.6 O=C(O)C1=NC=CC=N1 17811 [0,1,0,0,0,0|2,0,1]=4 185 B9R1.6 O=C(O)C1=NC=CN=C1 26983 [0,1,0,0,0,0|2,0,1]=4 186 B9R1.6 O=C(O)C1=NC=NC=C1 17543 [0,1,0,0,0,0|2,0,1]=4 187 B9R1.6 O=C(O)C1=NN=CC=C1 24005 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [0,1,0,0,0,0|0,0,2]=3 189 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [0,1,0,0,0,0|0,0,2]=3 190 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 28277 [0,1,0,0,0,0|2,0,1]=4 191 B9R1.6 OB(O)C1=CC=CC=C1 26799 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.6 OB(O)C1=CC=CC=C1 29551 [0,1,0,0,0,0|1,0,0]=2 193 B9R1.6 OB(O)C1=CC=CC=N1 31151 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.6 OB(O)C1=CC=NC=C1 29071 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.6 OB(O)C1=CN=CC=C1 28849 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.8 CCCC1=CC=CC=C1 27219 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.8 CCCC1=CC=CC=C1 29530 [0,1,0,0,0,0|1,0,0]=2 198 B9R1.8 CCOC1=CC=CC=C1 30856 [0,1,0,0,0,0|1,0,0]=2 199 B9R1.8 CCOC1=NC=CC=C1 27481 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.8 CNCC1=CC=CC=C1 23236 [0,1,0,0,0,0|1,0,0]=2 201 B9R1.8 CNCC1=CC=CN=C1 23300 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.8 CNCC1=CC=NC=C1 23632 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.8 CNCC1=NC=CC=C1 23554 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.8 CNCC1=NC=CN=C1 17803 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.8 COCC1=CC=CN=C1 29457 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.8 COCC1=CC=NC=C1 29392 [0,1,0,0,0,0|1,0,0]=2 207 B9R1.8 COCC1=NC=CC=C1 27516 [0,1,0,0,0,0|1,0,0]=2 208 B9R1.8 NCCC1=CC=CC=C1 21747 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.8 NCCC1=NC=CN=C1 17453 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.8 NCCC1=NC=CN=C1 23818 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.8 NOCC1=CC=CC=C1 02279 [0,1,0,0,0,0|0,0,0]=1 212 B9R1.8 OCCC1=CC=CC=C1 01623 [0,1,0,0,0,0|0,0,0]=1 213 B9R1.8 ONCC1=CC=CC=C1 31261 [0,1,0,0,0,0|0,0,0]=1 214 B9R1.8 O\N=C\C1=NC=CC=C1 00944 [0,1,0,0,0,0|1,0,1]=3 215 B9R1.8 O\N=C\C1=NC=CC=C1 28129 [0,1,0,0,0,0|1,0,1]=3 216 B9R1.8 S=C=NC1=CC=CC=C1 24479 [0,1,0,0,0,0|0,1,1]=3 217 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [0,1,0,0,0,0|1,0,0]=2 218 B9R1.15 CC1=C(C#N)N=CC=C1 28162 [0,1,0,0,0,0|2,0,1]=4 219 B9R1.15 CC1=C(CN)C=CN=C1 18175 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.15 CC1=NC=CC=C1C#N 23178 [0,1,0,0,0,0|2,0,1]=4 221 B9R1.15 CCC1=C(Br)C=NC=C1 29280 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.15 CCC1=C(O)C=CC=C1 26809 [0,1,0,0,0,0|1,0,0]=2 223 B9R1.15 COC1=C(Br)C=CC=C1 30420 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.15 COC1=C(Cl)N=CC=C1 28752 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.15 COC1=C(F)C=CC=C1 30023 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.15 COC1=C(I)C=CC=C1 26768 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.15 COC1=C(I)C=CC=N1 17151 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.15 COC1=C(I)N=CC=C1 17657 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.15 COC1=C(N)C=CN=C1 26333 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.15 COC1=CC=CN=C1Br 17332 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.15 COC1=CC=CN=C1C 27922 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.15 COC1=CC=CN=C1N 26214 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.15 COC1=CC=NC=C1Br 18025 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.15 COC1=CC=NC=C1I 20132 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.15 COC1=CC=NC=C1N 26215 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.15 COC1=NC=CC=C1Br 18024 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.15 COC1=NC=CC=C1N 30330 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [0,1,0,0,0,0|1,0,0]=2 239 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [0,1,0,0,0,0|1,0,0]=2 240 B9R1.15 N#CC1=C(Br)C=CC=N1 28644 [0,1,0,0,0,0|2,0,1]=4 241 B9R1.15 N#CC1=C(N)C=CC=N1 17258 [0,1,0,0,0,0|2,0,1]=4 242 B9R1.15 N#CC1=C(N)C=CN=C1 18056 [0,1,0,0,0,0|2,0,1]=4 243 B9R1.15 N#CC1=C(N)C=NC=C1 17343 [0,1,0,0,0,0|2,0,1]=4 244 B9R1.15 N#CC1=C(O)C=CC=C1 26803 [0,1,0,0,0,0|1,0,1]=3 245 B9R1.15 N#CC1=CC=CN=C1Cl 27382 [0,1,0,0,0,0|2,0,1]=4 246 B9R1.15 N#CC1=CC=CN=C1N 27928 [0,1,0,0,0,0|2,0,1]=4 247 B9R1.15 N#CC1=CC=CN=C1O 29006 [0,1,0,0,0,0|2,0,1]=4 248 B9R1.15 NC1=C(C=O)C=CC=N1 28552 [0,1,0,0,0,0|1,0,2]=4 249 B9R1.15 NC1=C(C=O)C=CN=C1 17082 [0,1,0,0,0,0|1,0,2]=4 250 B9R1.15 NC1=C(CCl)C=CC=N1 18029 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.15 NC1=C(CO)C=CC=N1 17074 [0,1,0,0,0,0|1,0,0]=2 252 B9R1.15 NC1=CC=NC=C1C=O 17064 [0,1,0,0,0,0|1,0,2]=4 253 B9R1.15 NC1=CC=NC=C1C=O 18057 [0,1,0,0,0,0|1,0,2]=4 254 B9R1.15 NC1=CN=CC=C1CO 17398 [0,1,0,0,0,0|1,0,0]=2 255 B9R1.15 NC1=NC=CC=C1C=O 17970 [0,1,0,0,0,0|1,0,2]=4 256 B9R1.15 NCC1=C(Cl)C=CC=N1 19564 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.15 NCC1=C(Cl)N=CC=C1 19530 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.15 NNC1=C(Cl)C=CC=N1 26149 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.15 O=CC1=C(Br)C=CC=C1 21252 [0,1,0,0,0,0|0,0,2]=3 260 B9R1.15 O=CC1=C(F)C=CC=C1 30013 [0,1,0,0,0,0|0,0,2]=3 261 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [0,1,0,0,0,0|0,0,2]=3 262 B9R1.15 O=CC1=CN=CC=C1Cl 28845 [0,1,0,0,0,0|1,0,2]=4 263 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [0,1,0,0,0,0|0,0,0]=1 264 B9R1.15 OCC1=C(F)C=CC=C1 31154 [0,1,0,0,0,0|0,0,0]=1 265 B9R1.15 OCC1=CC=CN=C1Cl 17223 [0,1,0,0,0,0|1,0,0]=2 266 B9R1.15 OCC1=NC=CC=C1O 27043 [0,1,0,0,0,0|1,0,0]=2 267 B9R1.15 [O-][N+]1=CC=CC=C1CCl 26338 [0,1,0,0,0,0|2,0,0]=3 268 B7R1.1 CCC1=NC=CN1 26929 [0,0,0,0,1,0|3,0,0]=4 269 B7R1.1 CCN1C=CN=C1 30433 [0,0,0,0,1,0|3,0,0]=4 270 B7R1.1 CNC1=CC=CS1 29398 [0,0,0,0,1,0|3,0,0]=4 271 B7R1.1 ClCC1=CSC=N1 28601 [0,0,0,0,1,0|3,0,0]=4 272 B7R1.1 ClCC1=NC=CO1 18709 [0,0,0,0,1,0|3,0,0]=4 273 B7R1.1 N#CC1=CSC=C1 28089 [0,0,0,0,1,0|2,0,1]=4 274 B7R1.1 NCC1=CC=NN1 17985 [0,0,0,0,1,0|3,0,0]=4 275 B7R1.1 NCC1=CC=NO1 18182 [0,0,0,0,1,0|3,0,0]=4 276 B7R1.1 NCC1=CN=CO1 20845 [0,0,0,0,1,0|3,0,0]=4 277 B7R1.1 NCC1=CN=CS1 19378 [0,0,0,0,1,0|3,0,0]=4 278 B7R1.1 NCC1=COC=N1 20843 [0,0,0,0,1,0|3,0,0]=4 279 B7R1.1 NCC1=COC=N1 20844 [0,0,0,0,1,0|3,0,0]=4 280 B7R1.1 NCC1=CON=C1 19372 [0,0,0,0,1,0|3,0,0]=4 281 B7R1.1 NCC1=CSC=N1 19377 [0,0,0,0,1,0|3,0,0]=4 282 B7R1.1 NCC1=NC=CN1 17521 [0,0,0,0,1,0|3,0,0]=4 283 B7R1.1 NCC1=NC=CN1 18174 [0,0,0,0,1,0|3,0,0]=4 284 B7R1.1 NCC1=NC=CS1 19376 [0,0,0,0,1,0|3,0,0]=4 285 B7R1.1 O=CC1=CC=CO1 32011 [0,0,0,0,1,0|1,0,2]=4 286 B7R1.1 O=CC1=CC=CS1 26946 [0,0,0,0,1,0|1,0,2]=4 287 B7R1.1 OCC1=CC=CS1 14033 [0,0,0,0,1,0|1,0,0]=2 288 B7R1.1 OCC1=CC=NO1 17531 [0,0,0,0,1,0|2,0,0]=3 289 B7R1.1 OCC1=CN=CS1 28873 [0,0,0,0,1,0|2,0,0]=3 290 B7R1.1 OCC1=COC=C1 26943 [0,0,0,0,1,0|1,0,0]=2 291 B7R1.1 OCC1=CSC=N1 28872 [0,0,0,0,1,0|2,0,0]=3 292 B7R1.1 OCC1=NC=CS1 24020 [0,0,0,0,1,0|2,0,0]=3 293 B7R1.1 SCC1=CC=CO1 31196 [0,0,0,0,1,0|1,1,0]=3 294 B6R1.1 C1=CC=NC=C1 00762 [2,0,0,0,0,0|1,0,0]=3 295 B6R1.1 C1=CC=NC=C1 02006 [2,0,0,0,0,0|1,0,0]=3 296 B6R1.1 C1=CC=NC=C1 14289 [2,0,0,0,0,0|1,0,0]=3 297 B6R1.1 C1=CC=NC=C1 16894 [2,0,0,0,0,0|1,0,0]=3 298 B6R1.1 C1=CC=NC=C1 27333 [2,0,0,0,0,0|1,0,0]=3 299 B6R1.1 C1=CC=NC=C1 29993 [2,0,0,0,0,0|1,0,0]=3 300 B8R1.3 BrC1=CC=C(Br)C=C1 26734 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.3 BrC1=CC=C(Br)C=C1 29550 [1,1,0,0,0,0|1,0,0]=3 302 B8R1.3 BrC1=CC=C(I)N=C1 25762 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.3 BrC1=CN=C(Br)C=C1 24773 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.3 BrC1=NC=C(I)C=C1 25761 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.3 CC1=CC=C(Cl)N=C1 28395 [1,1,0,0,0,0|1,0,0]=3 306 B8R1.3 CC1=CC=C(F)C=C1 30018 [1,1,0,0,0,0|0,0,0]=2 307 B8R1.3 CC1=CC=C(F)C=N1 31011 [1,1,0,0,0,0|1,0,0]=3 308 B8R1.3 CC1=CC=C(N)C=N1 28425 [1,1,0,0,0,0|1,0,0]=3 309 B8R1.3 CC1=CC=C(O)C=C1 02046 [1,1,0,0,0,0|0,0,0]=2 310 B8R1.3 CC1=CC=C(S)N=C1 28655 [1,1,0,0,0,0|1,0,0]=3 311 B8R1.3 CC1=CC=[N+]([O-])C=C1 26997 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.3 CC1=CN=C(Br)C=C1 28196 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.3 CC1=CN=C(C)C=N1 29787 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.3 CC1=CN=C(F)C=C1 29327 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.3 CC1=CN=C(N)C=C1 16973 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.3 CC1=CN=C(N)C=N1 20422 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.3 CC1=CN=C(O)C=C1 28671 [1,1,0,0,0,0|1,0,0]=3 318 B8R1.3 CC1=NC=C(Br)C=C1 16976 [1,1,0,0,0,0|1,0,0]=3 319 B8R1.3 CC1=NC=C(Cl)C=C1 28861 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.3 CC1=NC=C(I)C=C1 29038 [1,1,0,0,0,0|1,0,0]=3 321 B8R1.3 CC1=NC=C(O)C=C1 27039 [1,1,0,0,0,0|1,0,0]=3 322 B8R1.3 ClC1=CC=C(Br)C=N1 28495 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.3 ClC1=CC=C(Br)N=C1 28243 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.3 ClC1=CC=C(Cl)C=C1 31165 [1,1,0,0,0,0|1,0,0]=3 325 B8R1.3 ClC1=CC=C(I)C=N1 25903 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.3 ClC1=CC=C(I)N=C1 29018 [1,1,0,0,0,0|2,0,0]=4 327 B8R1.3 ClC1=CN=C(Cl)C=C1 27007 [1,1,0,0,0,0|2,0,0]=4 328 B8R1.3 ClC1=CN=C(Cl)C=C1 28912 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.3 FC1=CC=C(Br)C=C1 30412 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.3 FC1=CC=C(Br)N=C1 28247 [1,1,0,0,0,0|2,0,0]=4 331 B8R1.3 FC1=CC=C(Cl)C=N1 28844 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.3 FC1=CN=C(Cl)C=C1 28720 [1,1,0,0,0,0|2,0,0]=4 333 B8R1.3 FC1=NC=C(I)C=C1 28716 [1,1,0,0,0,0|2,0,0]=4 334 B8R1.3 IC1=CC=C(I)C=C1 26770 [1,1,0,0,0,0|1,0,0]=3 335 B8R1.3 IC1=CC=C(I)N=C1 28251 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.3 NC1=CC=C(Br)C=C1 29844 [1,1,0,0,0,0|1,0,0]=3 337 B8R1.3 NC1=CC=C(Br)N=C1 28526 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.3 NC1=CC=C(F)N=C1 17046 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.3 NC1=CC=C(I)C=C1 27150 [1,1,0,0,0,0|1,0,0]=3 340 B8R1.3 NC1=CC=C(I)C=N1 25748 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.3 NC1=CC=C(I)N=C1 25750 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.3 NC1=CC=C(O)C=N1 29569 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.3 NC1=CN=C(Cl)C=C1 25555 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.3 NC1=CN=C(N)C=C1 27586 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.3 NC1=CNC(=O)C=C1 29435 [1,1,0,0,0,0|1,0,1]=4 346 B8R1.3 NC1=NC=C(Br)C=C1 27033 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.3 NC1=NC=C(Cl)C=C1 27034 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.3 NC1=NC=C(O)C=C1 17752 [1,1,0,0,0,0|1,0,0]=3 349 B8R1.3 OC1=CC=C(Br)C=N1 25760 [1,1,0,0,0,0|1,0,0]=3 350 B8R1.3 OC1=CC=C(Cl)N=C1 28255 [1,1,0,0,0,0|1,0,0]=3 351 B8R1.3 OC1=CC=C(F)C=C1 31762 [1,1,0,0,0,0|0,0,0]=2 352 B8R1.3 OC1=CC=C(F)C=N1 29416 [1,1,0,0,0,0|1,0,0]=3 353 B8R1.3 OC1=CN=C(Br)C=C1 28860 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.3 OC1=NC=C(Cl)C=C1 27022 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.3 OC1=NC=C(Cl)C=N1 10645 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.3 OC1=NC=C(I)C=C1 25749 [1,1,0,0,0,0|1,0,0]=3 357 B8R1.4 BrC1=CC(Br)=NC=C1 28828 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.4 BrC1=CC=CC(Br)=C1 26732 [1,1,0,0,0,0|1,0,0]=3 359 B8R1.4 BrC1=CN=CC(Br)=C1 27383 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.4 BrC1=CN=CC(I)=C1 28668 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.4 BrC1=NC=CC(I)=C1 28666 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.4 CC1=CC(Br)=CC=N1 17038 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.4 CC1=CC(Br)=NC=C1 27873 [1,1,0,0,0,0|1,0,0]=3 364 B8R1.4 CC1=CC(N)=CC=N1 28156 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.4 CC1=CC(O)=CC=C1 03571 [1,1,0,0,0,0|0,0,0]=2 366 B8R1.4 CC1=CC(O)=CN=C1 28367 [1,1,0,0,0,0|1,0,0]=3 367 B8R1.4 CC1=CC=CC(=O)N1 28328 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.4 CC1=CC=CC(Br)=N1 27580 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.4 CC1=CC=CC(C)=N1 00800 [1,1,0,0,0,0|1,0,0]=3 370 B8R1.4 CC1=CC=CC(Cl)=N1 27011 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.4 CC1=CC=CC(F)=C1 30020 [1,1,0,0,0,0|0,0,0]=2 372 B8R1.4 CC1=CC=CC(F)=N1 27601 [1,1,0,0,0,0|1,0,0]=3 373 B8R1.4 CC1=CC=CC(I)=C1 26769 [1,1,0,0,0,0|0,0,0]=2 374 B8R1.4 CC1=CC=CC(N)=N1 27037 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.4 CC1=CC=C[N+]([O-])=C1 26993 [1,1,0,0,0,0|1,0,0]=3 376 B8R1.4 CC1=CC=NC(O)=C1 27954 [1,1,0,0,0,0|1,0,0]=3 377 B8R1.4 CC1=CN=CC(Br)=C1 17060 [1,1,0,0,0,0|1,0,0]=3 378 B8R1.4 CC1=CN=CC(Br)=N1 26267 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.4 CC1=CN=CC(C)=C1 27053 [1,1,0,0,0,0|1,0,0]=3 380 B8R1.4 CC1=CN=CC(Cl)=C1 28865 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.4 CC1=CN=CC(F)=C1 17150 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.4 CC1=CN=CC(N)=C1 17044 [1,1,0,0,0,0|1,0,0]=3 383 B8R1.4 CC1=CN=CC(N)=C1 29247 [1,1,0,0,0,0|1,0,0]=3 384 B8R1.4 CC1=CN=NC(Cl)=C1 26294 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.4 CC1=NC=CC(Cl)=C1 27551 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.4 ClC1=CC(Br)=CC=C1 30362 [1,1,0,0,0,0|1,0,0]=3 387 B8R1.4 ClC1=CC(Br)=NC=C1 28806 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.4 ClC1=CC(Cl)=NC=C1 28447 [1,1,0,0,0,0|2,0,0]=4 389 B8R1.4 ClC1=CC=CC(Br)=N1 28148 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.4 ClC1=CC=CC(Cl)=N1 27010 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.4 ClC1=CN=CC(Br)=C1 28866 [1,1,0,0,0,0|2,0,0]=4 392 B8R1.4 ClC1=CN=CC(Cl)=C1 27047 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.4 ClC1=NC=CC(Br)=C1 28805 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.4 ClC1=NC=CC(I)=C1 28566 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.4 FC1=CC(Br)=NC=C1 26279 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.4 FC1=CC(I)=CC=N1 28675 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.4 FC1=CC=CC(Br)=N1 28712 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.4 FC1=CN=CC(Br)=C1 28847 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.4 NC1=CC(Br)=CC=C1 27143 [1,1,0,0,0,0|1,0,0]=3 400 B8R1.4 NC1=CC(Br)=CC=N1 17206 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.4 NC1=CC(Cl)=NC=C1 16972 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.4 NC1=CC(F)=NC=C1 17653 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.4 NC1=CC(O)=CN=C1 19077 [1,1,0,0,0,0|1,0,0]=3 404 B8R1.4 NC1=CC=CC(Br)=N1 24610 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.4 NC1=CC=CC(Cl)=N1 28256 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.4 NC1=CC=CC(N)=C1 27147 [1,1,0,0,0,0|1,0,0]=3 407 B8R1.4 NC1=CC=CC(N)=N1 27036 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.4 NC1=CC=NC(Br)=C1 28521 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.4 NC1=CC=NC(O)=C1 18971 [1,1,0,0,0,0|1,0,0]=3 410 B8R1.4 NC1=CN=CC(Br)=C1 17002 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.4 NC1=CN=CC(Cl)=C1 17737 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.4 NC1=CN=CC(F)=C1 31748 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.4 NC1=NC(F)=CC=C1 17512 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.4 NC1=NC=CC(Cl)=C1 17039 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.4 NC1=NC=CC(Cl)=C1 29410 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.4 NC1=NC=CC(O)=C1 17441 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.4 O=C1C=C(Br)C=CN1 29326 [1,1,0,0,0,0|1,0,1]=4 418 B8R1.4 OC1=CC(O)=NC=N1 27415 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.4 OC1=CC=CC(O)=C1 30180 [1,1,0,0,0,0|0,0,0]=2 420 B8R1.4 OC1=CC=NC(Cl)=C1 28524 [1,1,0,0,0,0|1,0,0]=3 421 B8R1.4 OC1=CN=CC(Br)=C1 28369 [1,1,0,0,0,0|1,0,0]=3 422 B8R1.4 OC1=NC(Cl)=CC=C1 28450 [1,1,0,0,0,0|1,0,0]=3 423 B8R1.4 OC1=NC=CC(S)=N1 21484 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.4 [O-][N+]1=CC=CC(Br)=C1 17678 [1,1,0,0,0,0|1,0,1]=4 425 B8R1.5 BrC1=C(Br)C=CC=C1 26731 [1,1,0,0,0,0|1,0,0]=3 426 B8R1.5 BrC1=C(Br)C=CC=C1 29549 [1,1,0,0,0,0|1,0,0]=3 427 B8R1.5 BrC1=C(Br)N=CC=C1 28249 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.5 BrC1=C(I)C=CC=C1 26767 [1,1,0,0,0,0|1,0,0]=3 429 B8R1.5 BrC1=CC=NC=C1Br 28250 [1,1,0,0,0,0|2,0,0]=4 430 B8R1.5 CC1=C(Br)C=CC=N1 17037 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.5 CC1=C(Br)N=CC=C1 28290 [1,1,0,0,0,0|1,0,0]=3 432 B8R1.5 CC1=C(Cl)C=CC=N1 28853 [1,1,0,0,0,0|1,0,0]=3 433 B8R1.5 CC1=C(Cl)N=CC=C1 28262 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.5 CC1=C(F)C=CC=C1 30019 [1,1,0,0,0,0|0,0,0]=2 435 B8R1.5 CC1=C(F)C=NC=C1 28867 [1,1,0,0,0,0|1,0,0]=3 436 B8R1.5 CC1=C(N)C=CC=N1 17034 [1,1,0,0,0,0|1,0,0]=3 437 B8R1.5 CC1=CC=CN=C1F 27598 [1,1,0,0,0,0|1,0,0]=3 438 B8R1.5 CC1=CC=CN=C1I 28830 [1,1,0,0,0,0|1,0,0]=3 439 B8R1.5 CC1=CC=CN=C1N 27031 [1,1,0,0,0,0|1,0,0]=3 440 B8R1.5 CC1=CC=CN=C1O 27920 [1,1,0,0,0,0|1,0,0]=3 441 B8R1.5 CC1=CN=CC=C1Br 17700 [1,1,0,0,0,0|1,0,0]=3 442 B8R1.5 CC1=CN=CC=C1Br 28527 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.5 CC1=CN=CC=C1N 28541 [1,1,0,0,0,0|1,0,0]=3 444 B8R1.5 CC1=NC=CC=C1F 29136 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.5 CC1=NC=CC=C1I 29187 [1,1,0,0,0,0|1,0,0]=3 446 B8R1.5 CC1=NC=CN=C1C 31192 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.5 CC1=[N+]([O-])C=CC=C1 26990 [1,1,0,0,0,0|1,0,0]=3 448 B8R1.5 C[N+]1=C(Cl)C=CC=C1 04881 [1,1,0,0,0,0|1,0,0]=3 449 B8R1.5 ClC1=C(Br)C=CC=C1 30431 [1,1,0,0,0,0|1,0,0]=3 450 B8R1.5 ClC1=C(Br)C=CC=N1 28244 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.5 ClC1=C(Br)N=CC=C1 28827 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.5 ClC1=C(Cl)C=NC=C1 28567 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.5 ClC1=C(I)C=CC=N1 28368 [1,1,0,0,0,0|2,0,0]=4 454 B8R1.5 ClC1=CC=CN=C1Cl 27002 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.5 ClC1=CC=NC=C1Br 28245 [1,1,0,0,0,0|2,0,0]=4 456 B8R1.5 ClC1=CN=CC=C1Br 24033 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.5 FC1=C(Br)C=CC=C1 30361 [1,1,0,0,0,0|1,0,0]=3 458 B8R1.5 FC1=C(Br)C=CC=N1 28839 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.5 FC1=CC=CN=C1Br 28855 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.5 FC1=CC=CN=C1Cl 28717 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.5 FC1=CC=NC=C1Cl 28887 [1,1,0,0,0,0|2,0,0]=4 462 B8R1.5 FC1=NC=CC=C1Cl 28856 [1,1,0,0,0,0|2,0,0]=4 463 B8R1.5 FC1=NC=CC=C1I 28713 [1,1,0,0,0,0|2,0,0]=4 464 B8R1.5 NC1=C(Br)C=CC=C1 27130 [1,1,0,0,0,0|1,0,0]=3 465 B8R1.5 NC1=C(Br)N=CC=C1 17019 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.5 NC1=C(Cl)C=CC=N1 17023 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.5 NC1=C(Cl)C=NC=C1 17261 [1,1,0,0,0,0|2,0,0]=4 468 B8R1.5 NC1=C(F)C=CC=C1 27132 [1,1,0,0,0,0|1,0,0]=3 469 B8R1.5 NC1=C(I)C=CC=N1 28533 [1,1,0,0,0,0|2,0,0]=4 470 B8R1.5 NC1=C(N)C=CC=C1 31478 [1,1,0,0,0,0|1,0,0]=3 471 B8R1.5 NC1=C(O)C=CN=C1 17149 [1,1,0,0,0,0|1,0,0]=3 472 B8R1.5 NC1=C(O)C=NC=C1 26270 [1,1,0,0,0,0|1,0,0]=3 473 B8R1.5 NC1=CC=CN=C1Cl 16971 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.5 NC1=CC=CN=C1F 17335 [1,1,0,0,0,0|2,0,0]=4 475 B8R1.5 NC1=CC=CN=C1I 29050 [1,1,0,0,0,0|2,0,0]=4 476 B8R1.5 NC1=CC=CN=C1N 24516 [1,1,0,0,0,0|2,0,0]=4 477 B8R1.5 NC1=CC=CN=C1O 28734 [1,1,0,0,0,0|1,0,0]=3 478 B8R1.5 NC1=CC=NC=C1Br 28582 [1,1,0,0,0,0|2,0,0]=4 479 B8R1.5 NC1=CC=NC=C1F 28257 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.5 NC1=CN=CC=C1Br 18983 [1,1,0,0,0,0|2,0,0]=4 481 B8R1.5 NC1=CN=CC=C1Cl 17040 [1,1,0,0,0,0|2,0,0]=4 482 B8R1.5 NC1=CN=CC=C1I 17273 [1,1,0,0,0,0|2,0,0]=4 483 B8R1.5 NC1=CN=CN=C1O 26403 [1,1,0,0,0,0|2,0,0]=4 484 B8R1.5 NC1=NC=CC=C1Br 28705 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.5 NC1=NC=CC=C1F 18902 [1,1,0,0,0,0|2,0,0]=4 486 B8R1.5 NC1=NC=CC=C1O 16974 [1,1,0,0,0,0|1,0,0]=3 487 B8R1.5 O=C1NC=CC=C1Cl 29245 [1,1,0,0,0,0|1,0,1]=4 488 B8R1.5 OC1=C(I)N=CC=C1 27478 [1,1,0,0,0,0|1,0,0]=3 489 B8R1.5 OC1=C(O)C=CC=C1 00500 [1,1,0,0,0,0|0,0,0]=2 490 B8R1.5 OC1=CC=CN=C1Br 26999 [1,1,0,0,0,0|1,0,0]=3 491 B8R1.5 OC1=CC=CN=C1Cl 27006 [1,1,0,0,0,0|1,0,0]=3 492 B8R1.5 OC1=NC=CC=C1Br 28737 [1,1,0,0,0,0|1,0,0]=3 493 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 27938 [1,1,0,0,0,0|1,0,1]=4 494 B8R1.5 [O-][N+]1=C(S)C=CC=C1 26989 [1,1,0,0,0,0|1,0,1]=4 495 B8R1.5 [O-][N+]1=CC=CC=C1O 00785 [1,1,0,0,0,0|1,0,0]=3 496 B8R1.1 CC1=CSC(CO)=N1 26246 [0,1,0,0,1,0|2,0,0]=4 497 B8R1.1 CN1C=NC(CO)=C1 17817 [0,1,0,0,1,0|2,0,0]=4 498 B8R1.1 OCC1=CSC(Br)=N1 24018 [0,1,0,0,1,0|2,0,0]=4 499 B8R1.7 CC(N)C1=COC=C1 18499 [0,1,0,0,1,0|2,0,0]=4 500 B8R1.7 O=C(O)C1=CC=CN1 24486 [0,1,0,0,1,0|1,0,1]=4 501 B8R1.7 O=C(O)C1=CC=CO1 31538 [0,1,0,0,1,0|1,0,1]=4 502 B8R1.7 O=C(O)C1=COC=C1 26942 [0,1,0,0,1,0|1,0,1]=4 503 B8R1.7 O=C(O)C1=CSC=C1 16738 [0,1,0,0,1,0|1,0,1]=4 504 B8R1.7 O=C(O)C1=CSC=C1 26948 [0,1,0,0,1,0|1,0,1]=4 505 B8R1.7 OB(O)C1=CSC=C1 28088 [0,1,0,0,1,0|2,0,0]=4 506 B8R1.8 CNCC1=CC=CS1 17366 [0,1,0,0,1,0|2,0,0]=4 507 B8R1.8 NCCC1=CSC=C1 26286 [0,1,0,0,1,0|2,0,0]=4 508 B8R1.8 OCCC1=CNN=C1 17325 [0,1,0,0,1,0|2,0,0]=4 509 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.1 CCOC1=CC=C(Br)C=N1 25744 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.1 CCOC1=CC=C(N)C=N1 28529 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.1 FC1=CC=C(N=C=S)C=C1 26922 [0,2,0,0,0,0|0,1,1]=4 514 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [0,2,0,0,0,0|1,0,0]=3 515 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [0,2,0,0,0,0|1,0,0]=3 518 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [0,2,0,0,0,0|0,0,1]=3 519 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [0,2,0,0,0,0|0,0,1]=3 520 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [0,2,0,0,0,0|0,0,0]=2 521 B10R1.3 CCC1=CC=C(C=O)N=C1 26528 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.3 CCC1=CC=C(NN)C=C1 17133 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.3 COC1=CC=C(C#N)C=C1 31327 [0,2,0,0,0,0|1,0,1]=4 524 B10R1.3 COC1=CC=C(C=O)C=C1 24468 [0,2,0,0,0,0|0,0,2]=4 525 B10R1.3 COC1=CC=C(CCl)C=C1 00213 [0,2,0,0,0,0|1,0,0]=3 526 B10R1.3 COC1=CC=C(CO)C=C1 00699 [0,2,0,0,0,0|0,0,0]=2 527 B10R1.3 COC1=CC=C(NN)C=C1 21957 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.3 N#CC1=CC=C(C=O)C=C1 26879 [0,2,0,0,0,0|0,0,2]=4 529 B10R1.3 N#CC1=CC=C(CBr)C=C1 06739 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.3 N#CC1=CC=C(CCl)C=C1 31253 [0,2,0,0,0,0|1,0,0]=3 531 B10R1.3 N#CC1=CC=C(CN)C=C1 28564 [0,2,0,0,0,0|1,0,0]=3 532 B10R1.3 N#CC1=CC=C(CN)C=N1 20370 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.3 NCC1=CC=C(CO)C=C1 17557 [0,2,0,0,0,0|0,0,0]=2 534 B10R1.3 [C-]#[N+]C1=CC=C(C#N)C=C1 29724 [0,2,0,0,0,0|1,0,1]=4 535 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [0,2,0,0,0,0|0,0,2]=4 536 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [0,2,0,0,0,0|0,0,2]=4 537 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [0,2,0,0,0,0|0,0,2]=4 538 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [0,2,0,0,0,0|0,0,2]=4 539 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [0,2,0,0,0,0|0,0,2]=4 540 B10R1.13 CC(C)C1=CC=C(I)C=C1 27365 [0,2,0,0,0,0|1,0,0]=3 541 B10R1.13 CC(N)C1=CC=C(Br)C=C1 24660 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 24995 [0,2,0,0,0,0|1,0,0]=3 543 B10R1.13 CC(N)C1=CC=C(O)C=C1 24161 [0,2,0,0,0,0|1,0,0]=3 544 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [0,2,0,0,0,0|0,0,0]=2 545 B10R1.13 CC1=CC=C(B(O)O)C=C1 30418 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [0,2,0,0,0,0|1,0,1]=4 547 B10R1.13 CC1=CC=C(C(C)C)C=C1 27775 [0,2,0,0,0,0|1,0,0]=3 548 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.13 CC1=CC=C(C(C)N)N=C1 18435 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [0,2,0,0,0,0|0,0,0]=2 551 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 24263 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 24262 [0,2,0,0,0,0|1,0,0]=3 553 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 20244 [0,2,0,0,0,0|1,0,1]=4 554 B10R1.13 N=C(N)C1=CC=C(F)C=C1 18998 [0,2,0,0,0,0|1,0,1]=4 555 B10R1.13 N=C(N)C1=CC=C(N)C=C1 03291 [0,2,0,0,0,0|1,0,1]=4 556 B10R1.13 N=C(N)C1=CC=C(O)C=C1 31279 [0,2,0,0,0,0|1,0,1]=4 557 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [0,2,0,0,0,0|0,0,2]=4 558 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [0,2,0,0,0,0|0,0,2]=4 559 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 17385 [0,2,0,0,0,0|0,1,1]=4 560 B10R1.13 NC1=CC=C(B(O)O)C=C1 26157 [0,2,0,0,0,0|1,0,0]=3 561 B10R1.13 NC1=CC=C(C(=O)O)C=C1 01431 [0,2,0,0,0,0|0,0,1]=3 562 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 01581 [0,2,0,0,0,0|0,0,2]=4 563 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 14327 [0,2,0,0,0,0|1,0,1]=4 564 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17086 [0,2,0,0,0,0|1,0,1]=4 565 B10R1.13 NC1=NC=C(C(=O)O)C=C1 16981 [0,2,0,0,0,0|1,0,1]=4 566 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 28259 [0,2,0,0,0,0|1,0,1]=4 567 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 31562 [0,2,0,0,0,0|0,0,1]=3 568 B10R1.13 O=C(O)C1=CC=C(F)C=C1 26837 [0,2,0,0,0,0|0,0,1]=3 569 B10R1.13 O=C(O)C1=CC=C(I)C=C1 04894 [0,2,0,0,0,0|0,0,1]=3 570 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 25743 [0,2,0,0,0,0|1,0,1]=4 571 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 27008 [0,2,0,0,0,0|1,0,1]=4 572 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 29559 [0,2,0,0,0,0|1,0,1]=4 573 B10R1.13 O=C(O)C1=CN=C(O)C=C1 24512 [0,2,0,0,0,0|1,0,1]=4 574 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 28862 [0,2,0,0,0,0|1,0,1]=4 575 B10R1.13 O=C(O)C1=NC=C(O)C=C1 28835 [0,2,0,0,0,0|1,0,1]=4 576 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 00597 [0,2,0,0,0,0|0,0,2]=4 577 B10R1.13 O=C1C=CC(C(=O)O)=CO1 28092 [0,2,0,0,0,0|1,0,1]=4 578 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 31760 [0,2,0,0,0,0|1,0,1]=4 579 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 02340 [0,2,0,0,0,0|1,0,1]=4 580 B10R1.13 OB(O)C1=CC=C(Br)C=C1 26800 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 27554 [0,2,0,0,0,0|1,0,0]=3 582 B10R1.13 OB(O)C1=CC=C(F)C=C1 27553 [0,2,0,0,0,0|1,0,0]=3 583 B10R1.13 OB(O)C1=CC=C(O)C=C1 31431 [0,2,0,0,0,0|1,0,0]=3 584 B10R1.13 OB(O)C1=CN=C(Br)C=C1 16994 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.13 OB(O)C1=CN=C(Cl)C=C1 16980 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.13 OB(O)C1=CN=C(F)C=C1 28736 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.25 CC1=C(C#N)C=CC(Br)=C1 27604 [0,2,0,0,0,0|1,0,1]=4 588 B10R1.25 CC1=C(C#N)C=CC(Cl)=C1 27646 [0,2,0,0,0,0|1,0,1]=4 589 B10R1.25 CC1=C([N+]#N)C=CC(Cl)=C1 00410 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.25 CC1=CC(Br)=CC=C1CO 29345 [0,2,0,0,0,0|0,0,0]=2 591 B10R1.25 CC1=CC(Cl)=CC=C1CO 28919 [0,2,0,0,0,0|0,0,0]=2 592 B10R1.25 CC1=CC=C(C#N)C(Br)=C1 28110 [0,2,0,0,0,0|1,0,1]=4 593 B10R1.25 CCC1=C(Br)C=C(N)C=C1 29476 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.25 COC1=C(Br)C=C(Br)C=C1 30389 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.25 COC1=C(Br)C=C(F)C=C1 27315 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.25 COC1=C(I)C=C(Cl)C=C1 27716 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.25 COC1=CC=C(C)C=C1O 27589 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.25 COC1=CC=C(Cl)C=C1Br 27857 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.25 COC1=CC=C(F)C=C1N 24899 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.25 COC1=CC=C(S)C=C1F 28920 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.25 N#CC1=C(Br)C=C(F)C=C1 17010 [0,2,0,0,0,0|1,0,1]=4 602 B10R1.25 N#CC1=C(F)C=C(Br)C=C1 24612 [0,2,0,0,0,0|1,0,1]=4 603 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 17031 [0,2,0,0,0,0|0,0,2]=4 604 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 31160 [0,2,0,0,0,0|0,0,2]=4 605 B10R1.25 O=CC1=CC=C(Br)C=C1O 31936 [0,2,0,0,0,0|0,0,2]=4 606 B10R1.176 CC1=C(Br)C=CC(C#N)=C1 27517 [0,2,0,0,0,0|1,0,1]=4 607 B10R1.176 CC1=C(Br)C=CC(CO)=C1 29912 [0,2,0,0,0,0|0,0,0]=2 608 B10R1.176 CC1=C(C)C=C(CN)C=C1 29260 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.176 CC1=CC(NN)=CC=C1Br 17832 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.176 CC1=CC=C(C#N)C=C1Br 28989 [0,2,0,0,0,0|1,0,1]=4 611 B10R1.176 CC1=CC=C(CO)C=C1N 27832 [0,2,0,0,0,0|0,0,0]=2 612 B10R1.176 CCC1=CN=C(C)C(Br)=C1 29458 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.176 COC1=CC(Br)=C(O)C=C1 17182 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.176 COC1=CC(N)=C(Cl)C=C1 27675 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.176 COC1=CC(N)=C(O)C=C1 24931 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.176 N#CC1=CC(F)=C(F)C=C1 31503 [0,2,0,0,0,0|1,0,1]=4 617 B10R1.176 N#CC1=CC(O)=C(O)C=C1 27407 [0,2,0,0,0,0|1,0,1]=4 618 B10R1.176 N#CC1=CC=C(N)C(N)=C1 28392 [0,2,0,0,0,0|1,0,1]=4 619 B10R1.176 NNC1=CC(F)=C(F)C=C1 17093 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.176 O=C1C=C(CO)OC=C1O 21857 [0,2,0,0,0,0|1,0,0]=3 621 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 27427 [0,2,0,0,0,0|0,0,2]=4 622 B10R1.176 O=CC1=CC(F)=C(F)C=C1 27241 [0,2,0,0,0,0|0,0,2]=4 623 B10R1.176 O=CC1=CC(O)=C(I)C=C1 27912 [0,2,0,0,0,0|0,0,2]=4 624 B10R1.176 O=CC1=CC(O)=C(O)C=C1 21243 [0,2,0,0,0,0|0,0,2]=4 625 B10R1.2 CC1=C(Br)C(C#N)=CC=C1 29139 [0,2,0,0,0,0|1,0,1]=4 626 B10R1.2 CCC1=CC=CC(C)=C1O 28454 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.2 COC1=CC=CC(C)=C1N 30844 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.2 N#CC1=CC=CC(Br)=C1O 29287 [0,2,0,0,0,0|1,0,1]=4 629 B10R1.2 O=CC1=C(Cl)C(Cl)=CC=C1 31159 [0,2,0,0,0,0|0,0,2]=4 630 B10R1.8 CC1=CC(CBr)=NC(C)=C1 24062 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.8 CC1=CC(CO)=NC(C)=C1 26132 [0,2,0,0,0,0|1,0,0]=3 632 B10R1.8 COC1=CC(Br)=CC(Br)=C1 32072 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.8 ClC1=CC(CBr)=CC(Cl)=N1 24001 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.8 FC1=CC(F)=CC(CBr)=C1 07256 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.8 O=CC1=CC(Br)=CC(Br)=C1 28106 [0,2,0,0,0,0|0,0,2]=4 636 B10R1.8 [C-]#[N+]C1=CC(Cl)=CC(Cl)=C1 17583 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.10 CCOC1=CC=NC(N)=C1 18996 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.10 CCOC1=NC(Br)=CC=C1 28276 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.10 CCOC1=NC(N)=CC=C1 17759 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.10 CCOC1=NC=CC(N)=C1 17650 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [0,2,0,0,0,0|1,0,0]=3 645 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [0,2,0,0,0,0|1,0,0]=3 647 B10R1.30 CC1=C(C#N)C=C(N)C=C1 27456 [0,2,0,0,0,0|1,0,1]=4 648 B10R1.30 CC1=CC(C#N)=C(N)C=C1 29491 [0,2,0,0,0,0|1,0,1]=4 649 B10R1.30 CC1=CC=C(Br)C(C#N)=C1 29282 [0,2,0,0,0,0|1,0,1]=4 650 B10R1.30 CC1=CC=C(Br)C=C1C#N 29074 [0,2,0,0,0,0|1,0,1]=4 651 B10R1.30 CC1=CC=C(Cl)C=C1C#N 22472 [0,2,0,0,0,0|1,0,1]=4 652 B10R1.30 CC1=CC=C(F)C=C1C#N 27615 [0,2,0,0,0,0|1,0,1]=4 653 B10R1.30 CC1=CC=C(N)C(CO)=C1 27828 [0,2,0,0,0,0|0,0,0]=2 654 B10R1.30 COC1=C(C)C=CC(I)=C1 28997 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.30 COC1=C(O)C=CC(C)=C1 29782 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.30 COC1=C(O)C=CC(C)=C1 29784 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.30 COC1=CC(Br)=CC=C1Cl 21663 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.30 COC1=CC(Cl)=CC=C1N 17703 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 24689 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 27984 [0,2,0,0,0,0|1,0,1]=4 661 B10R1.30 NC1=C(CO)C=C(Br)C=N1 17818 [0,2,0,0,0,0|1,0,0]=3 662 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 26873 [0,2,0,0,0,0|0,0,2]=4 663 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 26874 [0,2,0,0,0,0|0,0,2]=4 664 B10R1.30 O=CC1=CC(Cl)=CC=C1Cl 25960 [0,2,0,0,0,0|0,0,2]=4 665 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [0,2,0,0,0,0|0,0,2]=4 666 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [0,2,0,0,0,0|0,0,2]=4 667 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [0,2,0,0,0,0|0,0,2]=4 668 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [0,2,0,0,0,0|0,0,2]=4 669 B10R1.113 CC1=CC=CC(C(=N)N)=C1 17682 [0,2,0,0,0,0|1,0,1]=4 670 B10R1.113 CC1=CC=CC(C(=O)O)=C1 29915 [0,2,0,0,0,0|0,0,1]=3 671 B10R1.113 CC1=CC=NC(B(O)O)=C1 17489 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.113 CC1=CC=NC(C(C)N)=C1 18431 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.113 CC1=CN=CC(C(=O)O)=C1 28423 [0,2,0,0,0,0|1,0,1]=4 674 B10R1.113 CC1=NC(B(O)O)=CC=C1 17516 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 21732 [0,2,0,0,0,0|1,0,1]=4 676 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 32536 [0,2,0,0,0,0|1,0,1]=4 677 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 20111 [0,2,0,0,0,0|1,0,1]=4 678 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 18893 [0,2,0,0,0,0|1,0,1]=4 679 B10R1.113 N=C(N)C1=CC=CC(F)=C1 17461 [0,2,0,0,0,0|1,0,1]=4 680 B10R1.113 N=C(N)C1=CC=CC(F)=C1 18901 [0,2,0,0,0,0|1,0,1]=4 681 B10R1.113 N=C(N)C1=CC=CC(F)=C1 31282 [0,2,0,0,0,0|1,0,1]=4 682 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [0,2,0,0,0,0|0,0,2]=4 683 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [0,2,0,0,0,0|0,0,2]=4 684 B10R1.113 NC1=CC(B(O)O)=CC=C1 27141 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.113 NC1=CC(C(=O)O)=CC=C1 06887 [0,2,0,0,0,0|0,0,1]=3 686 B10R1.113 NC1=CC(C(=O)O)=CC=N1 28237 [0,2,0,0,0,0|1,0,1]=4 687 B10R1.113 NC1=CC(C(=O)O)=NC=C1 17204 [0,2,0,0,0,0|1,0,1]=4 688 B10R1.113 NC1=NC(C(=O)O)=CC=C1 28235 [0,2,0,0,0,0|1,0,1]=4 689 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 25550 [0,2,0,0,0,0|1,0,1]=4 690 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 31561 [0,2,0,0,0,0|0,0,1]=3 691 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 28167 [0,2,0,0,0,0|1,0,1]=4 692 B10R1.113 O=C(O)C1=CC(F)=CC=C1 30016 [0,2,0,0,0,0|0,0,1]=3 693 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 28102 [0,2,0,0,0,0|1,0,1]=4 694 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 26991 [0,2,0,0,0,0|1,0,1]=4 695 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 28522 [0,2,0,0,0,0|1,0,1]=4 696 B10R1.113 O=C(O)C1=CC=NC(O)=C1 17184 [0,2,0,0,0,0|1,0,1]=4 697 B10R1.113 O=C(O)C1=CN=CC(F)=C1 17284 [0,2,0,0,0,0|1,0,1]=4 698 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 27904 [0,2,0,0,0,0|1,0,1]=4 699 B10R1.113 O=C(O)C1=NC=CC(I)=C1 17484 [0,2,0,0,0,0|1,0,1]=4 700 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 27497 [0,2,0,0,0,0|1,0,1]=4 701 B10R1.113 O=[N+]([O-])C1=CC(I)=CC=C1 27106 [0,2,0,0,0,0|1,0,1]=4 702 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 21241 [0,2,0,0,0,0|1,0,1]=4 703 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 31440 [0,2,0,0,0,0|1,0,0]=3 704 B10R1.113 OB(O)C1=CC(F)=CC=C1 31441 [0,2,0,0,0,0|1,0,0]=3 705 B10R1.113 OB(O)C1=CC=CC(Br)=C1 31067 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.113 OB(O)C1=CC=CC(Br)=C1 31433 [0,2,0,0,0,0|1,0,0]=3 707 B10R1.113 OB(O)C1=CC=NC(F)=C1 26181 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.113 OB(O)C1=CN=CC(Br)=C1 28658 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.172 CCC1=CC=CC(C#N)=C1 22425 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.172 CCC1=CC=CC(CC)=N1 24049 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.172 COC1=CC=CC(CBr)=C1 14049 [0,2,0,0,0,0|1,0,0]=3 712 B10R1.172 COC1=CC=CC(CCl)=C1 07251 [0,2,0,0,0,0|1,0,0]=3 713 B10R1.172 COC1=CC=CC(OC)=C1 31189 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.172 CSC1=CC=CC(C=O)=C1 26618 [0,2,0,0,0,0|0,0,2]=4 715 B10R1.172 ClCC1=CC=CC(CCl)=N1 28153 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.172 N#CC1=CC=CC(C=O)=C1 26875 [0,2,0,0,0,0|0,0,2]=4 717 B10R1.172 O=CC1=NC(CO)=CC=C1 26347 [0,2,0,0,0,0|1,0,0]=3 718 B10R1.172 OCC1=CC=CC(CO)=N1 24517 [0,2,0,0,0,0|1,0,0]=3 719 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [0,2,0,0,0,0|1,0,0]=3 720 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [0,2,0,0,0,0|1,0,0]=3 721 B10R1.15 CCC(=O)C1=CC=CN=C1 27485 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [0,2,0,0,0,0|1,0,0]=3 723 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [0,2,0,0,0,0|0,0,1]=3 724 B10R1.15 COC(=O)C1=CC=CN=C1 27049 [0,2,0,0,0,0|1,0,1]=4 725 B10R1.15 COC(=O)C1=CC=NC=C1 27058 [0,2,0,0,0,0|1,0,1]=4 726 B10R1.15 COC(=O)C1=NC=CC=C1 27538 [0,2,0,0,0,0|1,0,1]=4 727 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [0,2,0,0,0,0|0,0,0]=2 728 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [0,2,0,0,0,0|1,0,0]=3 729 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [0,2,0,0,0,0|1,0,0]=3 730 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [0,2,0,0,0,0|1,0,0]=3 731 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [0,2,0,0,0,0|0,0,0]=2 732 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [0,2,0,0,0,0|0,0,0]=2 733 B10R1.15 N\C(=N/O)C1=CC=CC=N1 31357 [0,2,0,0,0,0|1,0,1]=4 734 B10R1.15 N\C(=N/O)C1=CC=NC=C1 31360 [0,2,0,0,0,0|1,0,1]=4 735 B10R1.15 N\C(=N\O)C1=CN=CC=C1 29137 [0,2,0,0,0,0|1,0,1]=4 736 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [0,2,0,0,0,0|1,0,0]=3 737 B10R1.15 O=C(CBr)C1=CC=CC=N1 28615 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.15 O=C(CBr)C1=CN=CC=C1 24916 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [0,2,0,0,0,0|1,0,0]=3 740 B10R1.15 O=NN([O-])C1=CC=CC=C1 24604 [0,2,0,0,0,0|1,0,1]=4 741 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [0,2,0,0,0,0|0,0,0]=2 742 B10R1.28 CC(C)(O)C1=CC=CC=C1 14408 [0,2,0,0,0,0|0,0,0]=2 743 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 24129 [0,2,0,0,0,0|1,0,1]=4 744 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 30377 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [0,2,0,0,0,0|0,0,2]=4 746 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [0,2,0,0,0,0|0,0,2]=4 747 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [0,2,0,0,0,0|0,0,2]=4 748 B10R1.61 CC1=C(B(O)O)C=CC=C1 24607 [0,2,0,0,0,0|1,0,0]=3 749 B10R1.61 CC1=C(C(=O)O)C=CN=C1 17262 [0,2,0,0,0,0|1,0,1]=4 750 B10R1.61 CC1=CC=CC=C1C(=N)N 20038 [0,2,0,0,0,0|1,0,1]=4 751 B10R1.61 N=C(N)C1=CC=CC=C1Br 19996 [0,2,0,0,0,0|1,0,1]=4 752 B10R1.61 N=C(N)C1=CC=CC=C1Cl 20015 [0,2,0,0,0,0|1,0,1]=4 753 B10R1.61 N=C(N)C1=CC=CC=C1F 17984 [0,2,0,0,0,0|1,0,1]=4 754 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 27155 [0,2,0,0,0,0|0,0,2]=4 755 B10R1.61 NC(=O)C1=C(N)C=CC=C1 24534 [0,2,0,0,0,0|0,0,2]=4 756 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [0,2,0,0,0,0|0,1,1]=4 757 B10R1.61 NC1=CC=CN=C1C(=O)O 17022 [0,2,0,0,0,0|1,0,1]=4 758 B10R1.61 NC1=CC=NC=C1C(=O)O 16977 [0,2,0,0,0,0|1,0,1]=4 759 B10R1.61 NC1=CN=CC=C1C(=O)O 16979 [0,2,0,0,0,0|1,0,1]=4 760 B10R1.61 NC1=NC=CC=C1C(=O)O 27030 [0,2,0,0,0,0|1,0,1]=4 761 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 28502 [0,2,0,0,0,0|1,0,1]=4 762 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18059 [0,2,0,0,0,0|1,0,1]=4 763 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 31560 [0,2,0,0,0,0|0,0,1]=3 764 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 28530 [0,2,0,0,0,0|1,0,1]=4 765 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 27926 [0,2,0,0,0,0|1,0,1]=4 766 B10R1.61 O=C(O)C1=C(F)C=CC=C1 30015 [0,2,0,0,0,0|0,0,1]=3 767 B10R1.61 O=C(O)C1=C(I)C=CC=C1 24457 [0,2,0,0,0,0|0,0,1]=3 768 B10R1.61 O=C(O)C1=C(I)C=CC=N1 28576 [0,2,0,0,0,0|1,0,1]=4 769 B10R1.61 O=C(O)C1=C(O)C=CC=C1 01498 [0,2,0,0,0,0|0,0,1]=3 770 B10R1.61 O=C(O)C1=C(O)C=CC=C1 30167 [0,2,0,0,0,0|0,0,1]=3 771 B10R1.61 O=C(O)C1=C(S)C=CC=C1 24480 [0,2,0,0,0,0|0,0,1]=3 772 B10R1.61 O=C(O)C1=CC=CN=C1Cl 31902 [0,2,0,0,0,0|1,0,1]=4 773 B10R1.61 O=C(O)C1=CC=CN=C1F 27581 [0,2,0,0,0,0|1,0,1]=4 774 B10R1.61 O=C(O)C1=CC=NC=C1Br 17194 [0,2,0,0,0,0|1,0,1]=4 775 B10R1.61 O=C(O)C1=CC=NC=C1I 26142 [0,2,0,0,0,0|1,0,1]=4 776 B10R1.61 O=C(O)C1=NC=CC=C1O 24514 [0,2,0,0,0,0|1,0,1]=4 777 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 26494 [0,2,0,0,0,0|0,0,2]=4 778 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 27094 [0,2,0,0,0,0|1,0,1]=4 779 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 27099 [0,2,0,0,0,0|1,0,1]=4 780 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 02339 [0,2,0,0,0,0|1,0,1]=4 781 B10R1.61 OB(O)C1=C(Cl)N=CC=C1 28689 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.61 OB(O)C1=C(F)N=CC=C1 28818 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.61 OB(O)C1=CC=CC=C1Br 31066 [0,2,0,0,0,0|1,0,0]=3 784 B10R1.61 OB(O)C1=CC=CC=C1Br 31430 [0,2,0,0,0,0|1,0,0]=3 785 B10R1.4 CCOC1=C(Br)C=CC=N1 28270 [0,2,0,0,0,0|2,0,0]=4 786 B10R1.4 CCOC1=C(Br)C=CN=C1 29223 [0,2,0,0,0,0|2,0,0]=4 787 B10R1.4 CCOC1=CC=NC=C1N 28271 [0,2,0,0,0,0|2,0,0]=4 788 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [0,2,0,0,0,0|1,0,0]=3 789 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [0,2,0,0,0,0|0,0,0]=2 790 B10R1.4 NOCC1=CC=CC=C1F 29333 [0,2,0,0,0,0|0,0,0]=2 791 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 24130 [0,2,0,0,0,0|0,0,1]=3 792 B10R1.4 O\N=C\C1=C(O)C=CC=C1 22050 [0,2,0,0,0,0|0,0,1]=3 793 B10R1.17 CCCCC1=CC=CC=C1 27221 [0,2,0,0,0,0|1,0,0]=3 794 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [0,2,0,0,0,0|2,0,0]=4 795 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [0,2,0,0,0,0|2,0,0]=4 796 B10R1.17 CNCCC1=CC=CC=C1 23237 [0,2,0,0,0,0|1,0,0]=3 797 B10R1.17 CNCCC1=CC=CN=C1 23587 [0,2,0,0,0,0|2,0,0]=4 798 B10R1.17 CNCCC1=CC=NC=C1 17201 [0,2,0,0,0,0|2,0,0]=4 799 B10R1.17 CNCCC1=NC=CC=C1 23232 [0,2,0,0,0,0|2,0,0]=4 800 B10R1.17 ClCC#CC1=CC=CC=C1 28941 [0,2,0,0,0,0|1,0,0]=3 801 B10R1.17 ClCOCC1=CC=CC=C1 00728 [0,2,0,0,0,0|0,0,0]=2 802 B10R1.17 N#C\C=C\C1=CC=CC=C1 30870 [0,2,0,0,0,0|1,0,1]=4 803 B10R1.17 O=C\C=C\C1=CC=CC=C1 24523 [0,2,0,0,0,0|0,0,2]=4 804 B10R1.17 OCC#CC1=CC=CC=C1 27592 [0,2,0,0,0,0|0,0,0]=2 805 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [0,2,0,0,0,0|1,0,1]=4 806 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [0,2,0,0,0,0|1,0,1]=4 807 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [0,2,0,0,0,0|0,0,2]=4 808 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [0,2,0,0,0,0|2,0,0]=4 809 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [0,2,0,0,0,0|2,0,0]=4 810 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [0,2,0,0,0,0|2,0,0]=4 811 B10R1.18 O=C(O)CC1=CC=CN=C1 27783 [0,2,0,0,0,0|1,0,0]=3 812 B10R1.18 O=C(O)CC1=CC=NC=C1 28780 [0,2,0,0,0,0|1,0,0]=3 813 B10R1.18 S=C(Cl)OC1=CC=CC=C1 26924 [0,2,0,0,0,0|0,1,1]=4 814 B10R1.20 CCC1=C(C#N)C=CC=C1 22426 [0,2,0,0,0,0|1,0,0]=3 815 B10R1.20 CNC1=NC=CC=C1CO 28935 [0,2,0,0,0,0|1,0,0]=3 816 B10R1.20 COC1=C(CO)C=CC=C1 14050 [0,2,0,0,0,0|0,0,0]=2 817 B10R1.20 COC1=C(OC)C=CC=C1 27166 [0,2,0,0,0,0|2,0,0]=4 818 B10R1.20 N#CC1=C(CCl)C=CC=C1 17032 [0,2,0,0,0,0|1,0,0]=3 819 B10R1.20 O=CC1=C(C=O)C=CC=C1 31933 [0,2,0,0,0,0|0,0,2]=4 820 B10R1.245 CC1=C(C#N)C(N)=CC=C1 27736 [0,2,0,0,0,0|1,0,1]=4 821 B10R1.245 CC1=CC=CC(C)=C1CO 17396 [0,2,0,0,0,0|0,0,0]=2 822 B10R1.245 CC1=CC=CC(C)=C1NN 25014 [0,2,0,0,0,0|2,0,0]=4 823 B10R1.245 CCC1=C(Br)C=NC=C1Br 29485 [0,2,0,0,0,0|2,0,0]=4 824 B10R1.245 COC1=C(Br)C=CC=C1F 17175 [0,2,0,0,0,0|2,0,0]=4 825 B10R1.245 COC1=C(F)C=CC=C1N 17680 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.245 O=CC1=C(Br)C=CC=C1Br 29998 [0,2,0,0,0,0|0,0,2]=4 827 B10R1.245 O=CC1=C(Br)C=CC=C1F 17637 [0,2,0,0,0,0|0,0,2]=4 828 B10R1.245 O=CC1=C(Cl)C=CC=C1Br 29997 [0,2,0,0,0,0|0,0,2]=4 829 B10R1.245 O=CC1=C(Cl)C=CC=C1F 31161 [0,2,0,0,0,0|0,0,2]=4 830 B10R1.245 O=CC1=C(F)C=CC=C1I 17983 [0,2,0,0,0,0|0,0,2]=4 831 B8R1.49 C1=CC=CC=CC=C1 21196 [0,0,1,1,0,0|1,0,1]=4 832 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [0,1,0,1,0,0|1,0,0]=3 833 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [0,1,0,1,0,0|1,0,1]=4 834 B10R2.7 C1=CC2=C(C=C1)NC=N2 26958 [0,1,0,1,0,0|1,0,1]=4 835 B10R2.7 C1=CC2=C(C=C1)NN=N2 24501 [0,1,0,1,0,0|2,0,0]=4 836 B10R2.7 C1=CC2=C(CCC2)N=C1 26968 [0,1,0,1,0,0|2,0,0]=4 837 B10R2.7 C1=CC2=C(N=C1)NCC2 28977 [0,1,0,1,0,0|2,0,0]=4 838 B6R1.2 BrC1=COC=C1 26940 [1,0,0,0,1,0|2,0,0]=4 839 B6R1.2 CC1=CSC=N1 26939 [1,0,0,0,1,0|2,0,0]=4 840 B6R1.2 CC1=NC=CN1 26928 [1,0,0,0,1,0|2,0,0]=4 841 B6R1.2 CN1C=CN=C1 00526 [1,0,0,0,1,0|2,0,0]=4 842 B6R1.2 NC1=CC=CS1 28483 [1,0,0,0,1,0|2,0,0]=4