0 B7R1.3 BrC1=CC=CN=C1 2571 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 BrC1=CC=NC=C1 15950 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 BrC1=CC=NC=C1 2589 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 BrC1=CN=CN=C1 6902 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 BrC1=NC=CC=C1 2570 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 BrC1=NC=CC=N1 6901 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 BrC1=NC=CN=C1 18036 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 CC1=CC=CN=N1 17696 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 CC1=CN=CN=C1 7207 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 CC1=NC=CC=C1 15899 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 CC1=NC=CC=N1 21974 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 CC1=NC=CN=C1 8601 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 CC1=NC=NC=C1 20803 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 Cc1ccccn1 18185 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 ClC1=CC=CN=C1 2576 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 ClC1=CC=CN=N1 19779 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 ClC1=CC=NC=C1 1195 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 ClC1=CC=NC=C1 23503 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 ClC1=CN=CN=C1 7041 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 ClC1=NC=CC=C1 13200 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.3 ClC1=NC=CC=N1 7040 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.3 ClC1=NC=CN=C1 8546 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 ClC1=NC=NC=C1 15531 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.3 FC1=CC=CC=C1 29401 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.3 FC1=CC=CN=C1 1095 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 FC1=CC=NC=C1 14322 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.3 FC1=CC=NC=C1 2616 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.3 FC1=CN=CN=C1 7193 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 FC1=NC=CC=C1 1094 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.3 FC1=NC=CN=C1 13961 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.3 FC1=NC=NC=C1 13598 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.3 IC1=CC=CC=C1 2143 [0,0,0,0,0,0|1,0,0]=1 32 B7R1.3 IC1=CC=CC=C1 3921 [0,0,0,0,0,0|1,0,0]=1 33 B7R1.3 IC1=CC=CN=C1 6634 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.3 IC1=CC=NC=C1 2584 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.3 IC1=CN=CN=C1 25074 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.3 IC1=NC=CC=C1 4074 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.3 IC1=NC=CC=N1 23553 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.3 IC1=NC=NC=C1 33551 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.3 NC1=CC=CN=C1 2569 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.3 NC1=CC=CN=N1 16747 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.3 NC1=CC=CN=N1 9538 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.3 NC1=CC=NC=C1 1281 [0,0,0,0,0,0|2,0,0]=2 43 B7R1.3 NC1=CN=CN=C1 25064 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.3 NC1=NC=CC=C1 10484 [0,0,0,0,0,0|2,0,0]=2 45 B7R1.3 NC1=NC=CC=N1 4106 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.3 NC1=NC=CN=C1 8600 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.3 NC1=NC=NC=C1 21825 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.3 NC1=NC=NC=N1 14498 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.3 O=C1C=CC=NN1 9528 [0,0,0,0,0,0|2,0,1]=3 50 B7R1.3 OC1=CC=CN=C1 2568 [0,0,0,0,0,0|1,0,0]=1 51 B7R1.3 OC1=CC=NC=C1 1116 [0,0,0,0,0,0|1,0,0]=1 52 B7R1.3 OC1=CN=CN=C1 20799 [0,0,0,0,0,0|2,0,0]=2 53 B7R1.3 OC1=C[NH+]=CN=C1 23934 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.3 OC1=NC=CC=C1 2567 [0,0,0,0,0,0|1,0,0]=1 55 B7R1.3 OC1=NC=CC=N1 20310 [0,0,0,0,0,0|2,0,0]=2 56 B7R1.3 OC1=NC=CC=N1 21046 [0,0,0,0,0,0|2,0,0]=2 57 B7R1.3 OC1=NC=CN=C1 8869 [0,0,0,0,0,0|2,0,0]=2 58 B7R1.3 OC1=NC=NC=C1 11012 [0,0,0,0,0,0|2,0,0]=2 59 B7R1.3 OC1=NC=NC=C1 20805 [0,0,0,0,0,0|2,0,0]=2 60 B7R1.3 PC1=CC=CC=C1 25514 [0,0,0,0,0,0|1,0,0]=1 61 B7R1.3 SC1=CC=CC=C1 5421 [0,0,0,0,0,0|0,1,0]=1 62 B7R1.3 SC1=CC=NC=C1 9746 [0,0,0,0,0,0|1,1,0]=2 63 B7R1.3 SC1=NC=CC=C1 10835 [0,0,0,0,0,0|1,1,0]=2 64 B7R1.3 SC1=NC=CC=C1 16329 [0,0,0,0,0,0|1,1,0]=2 65 B7R1.3 SC1=NC=CC=N1 21982 [0,0,0,0,0,0|2,1,0]=3 66 B7R1.3 [Li]C1=CC=CC=C1 26659 [0,0,0,0,0,0|1,0,0]=1 67 B7R1.3 [O-][N+]1=CC=CC=C1 2586 [0,0,0,0,0,0|1,0,1]=2 68 B7R1.3 [O-][N+]1=CN=CC=C1 13269 [0,0,0,0,0,0|2,0,1]=3 69 B7R1.3 [S-]C1=CC=CC=C1 35336 [0,0,0,0,0,0|0,1,0]=1 70 B7R1.3 [SiH3]C1=CC=CC=C1 25896 [0,0,0,0,0,0|1,0,0]=1 71 B6R1.1 C1=CC=NC=C1 13729 [1,0,0,0,0,0|1,0,0]=2 72 B6R1.1 C1=CC=NC=C1 18634 [1,0,0,0,0,0|1,0,0]=2 73 B6R1.1 C1=CC=NC=C1 2590 [1,0,0,0,0,0|1,0,0]=2 74 B6R1.1 C1=CC=NC=C1 30334 [1,0,0,0,0,0|1,0,0]=2 75 B6R1.1 C1=CC=NC=C1 35414 [1,0,0,0,0,0|1,0,0]=2 76 B6R1.1 C1=CC=[NH+]C=C1 15908 [1,0,0,0,0,0|1,0,0]=2 77 B6R1.1 C1=CC=[NH+]C=C1 15909 [1,0,0,0,0,0|1,0,0]=2 78 B6R1.1 C1=CN=CC=N1 16607 [1,0,0,0,0,0|2,0,0]=3 79 B6R1.1 C1=CN=CN=C1 13257 [1,0,0,0,0,0|2,0,0]=3 80 B6R1.1 C1=CN=NC=C1 17789 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.1 c1ccccc1 36262 [1,0,0,0,0,0|0,0,0]=1 82 B8R1.2 BrCC1=CC=CC=C1 13143 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.2 BrCC1=CC=CN=C1 17664 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.2 BrCC1=NC=NC=C1 23940 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.2 Br[Mg]C1=CN=CN=C1 2073 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.2 C#CC1=CC=CC=C1 15340 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.2 C#CC1=CC=CN=C1 16106 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.2 C#CC1=CC=NC=C1 19527 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.2 C=CC1=NC=CC=C1 23910 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.2 CCC1=NC=NC=C1 23618 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.2 CNC1=CC=CN=C1 14983 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.2 CNC1=CC=NC=C1 12915 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.2 CNC1=CN=CN=C1 25066 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.2 COC1=CC=CC=C1 12830 [0,1,0,0,0,0|0,0,0]=1 95 B8R1.2 COC1=CC=CC=C1 17272 [0,1,0,0,0,0|0,0,0]=1 96 B8R1.2 COC1=CC=CN=C1 15370 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.2 COC1=CC=NC=C1 2585 [0,1,0,0,0,0|1,0,0]=2 98 B8R1.2 COC1=CN=CN=C1 25073 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.2 COC1=NC=CC=C1 13201 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.2 COC1=NC=CN=C1 8605 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.2 COC1=NC=NC=C1 21029 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.2 CSC1=CC=CC=C1 10578 [0,1,0,0,0,0|0,1,0]=2 103 B8R1.2 CSC1=NC=CC=C1 35938 [0,1,0,0,0,0|1,1,0]=3 104 B8R1.2 CSC1=NC=CN=C1 8604 [0,1,0,0,0,0|2,1,0]=4 105 B8R1.2 ClCC1=CC=CN=C1 9217 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.2 ClCC1=CC=NC=C1 15905 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.2 ClCC1=NC=CC=C1 16732 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.2 ClCC1=NC=CC=C1 36036 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.2 ClCC1=NC=CC=N1 21458 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.2 ClCC1=NC=CC=N1 24800 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.2 ClCC1=NC=CN=C1 32160 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.2 N#CC1=CC=CN=C1 11233 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.2 N#CC1=CC=NC=C1 11155 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.2 N#CC1=CN=CN=C1 11102 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.2 N#CC1=NC=CC=C1 6007 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.2 N#CC1=NC=CC=N1 7042 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.2 N#CC1=NC=CN=C1 8603 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.2 N#CC1=NC=NC=C1 21035 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.2 N#Cc1ccccc1 25507 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.2 NCC1=CC=CC=C1 25530 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.2 NCC1=CC=CN=C1 11140 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.2 NCC1=CC=NC=C1 12407 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.2 NCC1=NC=CC=C1 11142 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.2 NCC1=NC=CC=N1 26329 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.2 NCC1=NC=CN=C1 17822 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.2 NNC1=CC=CC=C1 22925 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.2 NNC1=CC=NC=C1 16313 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.2 NNC1=NC=CC=C1 22630 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.2 NNC1=NC=CN=C1 18786 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.2 O=CC1=CC=CN=C1 1124 [0,1,0,0,0,0|1,0,1]=3 131 B8R1.2 O=CC1=CC=CN=N1 23311 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.2 O=CC1=CC=NC=C1 11745 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.2 O=CC1=CN=CN=C1 5298 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.2 O=CC1=NC=CC=C1 11741 [0,1,0,0,0,0|1,0,1]=3 135 B8R1.2 O=CC1=NC=CC=N1 23190 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.2 O=CC1=NC=CN=C1 32140 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.2 OCC1=CC=CN=C1 11736 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.2 OCC1=CC=NC=C1 11738 [0,1,0,0,0,0|1,0,0]=2 139 B8R1.2 OCC1=CN=CN=C1 9758 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.2 OCC1=NC=CC=C1 9301 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.2 OCC1=NC=CC=N1 9757 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.2 OCC1=NC=CN=C1 32128 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.2 OCC1=NC=NC=C1 9756 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.2 SCC1=CC=CC=C1 6835 [0,1,0,0,0,0|0,1,0]=2 145 B8R1.2 SCC1=CC=CN=C1 25049 [0,1,0,0,0,0|1,1,0]=3 146 B8R1.2 SCC1=CC=NC=C1 25053 [0,1,0,0,0,0|1,1,0]=3 147 B8R1.2 SCC1=NC=CC=C1 25013 [0,1,0,0,0,0|1,1,0]=3 148 B8R1.2 SCC1=NC=CN=C1 32116 [0,1,0,0,0,0|2,1,0]=4 149 B8R1.3 BrC1=CC=C(Br)C=C1 10875 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.3 BrC1=CC=C(Br)N=N1 12385 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.3 BrC1=CC=C(I)C=C1 27467 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.3 BrC1=CC=C(I)C=C1 3786 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.3 BrC1=CN=C(Br)C=C1 1111 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.3 BrC1=CN=C(Br)C=N1 18033 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.3 BrC1=CN=C(Br)N=C1 17477 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.3 BrC1=CN=C(I)C=C1 2409 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.3 BrC1=CN=C(I)N=C1 6900 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.3 BrC1=NC=C(I)C=C1 5969 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.3 BrC1=NC=C(I)C=N1 34786 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.3 BrC1=NC=C(I)N=C1 22622 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.3 CC1=CC=C(Br)C=C1 21011 [0,1,0,0,0,0|1,0,0]=2 162 B8R1.3 CC1=CC=C(Br)N=N1 28224 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.3 CC1=CC=C(C)N=N1 20402 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.3 CC1=CC=C(Cl)C=C1 19750 [0,1,0,0,0,0|1,0,0]=2 165 B8R1.3 CC1=CC=C(Cl)N=N1 10467 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.3 CC1=CC=C(F)C=C1 12887 [0,1,0,0,0,0|1,0,0]=2 167 B8R1.3 CC1=CC=C(I)C=C1 4548 [0,1,0,0,0,0|1,0,0]=2 168 B8R1.3 CC1=CC=C(O)C=C1 23326 [0,1,0,0,0,0|0,0,0]=1 169 B8R1.3 CC1=CC=C(S)C=C1 6809 [0,1,0,0,0,0|0,1,0]=2 170 B8R1.3 CC1=CN=C(Br)C=C1 1185 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.3 CC1=CN=C(Br)C=N1 18038 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.3 CC1=CN=C(Br)N=C1 34383 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.3 CC1=CN=C(C)C=C1 20994 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.3 CC1=CN=C(C)C=N1 8608 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.3 CC1=CN=C(Cl)C=C1 1193 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.3 CC1=CN=C(Cl)N=C1 11095 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.3 CC1=CN=C(F)C=C1 4059 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.3 CC1=CN=C(I)N=C1 34875 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.3 CC1=CN=C(N)C=C1 1159 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.3 CC1=CN=C(N)C=N1 15710 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.3 CC1=CN=C(O)C=C1 14321 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.3 CC1=CN=C(O)C=C1 27251 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.3 CC1=NC=C(Br)C=C1 4058 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.3 CC1=NC=C(Br)C=N1 15231 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.3 CC1=NC=C(Cl)C=C1 6694 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.3 CC1=NC=C(F)C=C1 2224 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.3 CC1=NC=C(I)C=C1 6698 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.3 CC1=NC=C(N)C=C1 1280 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.3 CC1=NC=C(N)C=N1 22766 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.3 CC1=NC=C(O)C=C1 6696 [0,1,0,0,0,0|1,0,0]=2 191 B8R1.3 CC1=NC=C(O)C=N1 21855 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.3 CC1=NNC(=O)C=C1 28171 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.3 ClC1=CC=C(Br)C=C1 10226 [0,1,0,0,0,0|1,0,0]=2 194 B8R1.3 ClC1=CC=C(Cl)N=N1 9487 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.3 ClC1=CC=C(I)C=C1 3648 [0,1,0,0,0,0|1,0,0]=2 196 B8R1.3 ClC1=CN=C(Br)C=C1 1169 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.3 ClC1=CN=C(Br)N=C1 17481 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.3 ClC1=CN=C(Cl)C=C1 1199 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.3 ClC1=CN=C(Cl)C=N1 23583 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.3 ClC1=CN=C(Cl)N=C1 13600 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.3 ClC1=CN=C(I)C=C1 6574 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.3 ClC1=CN=C(I)N=C1 14957 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.3 ClC1=NC=C(Br)C=C1 1168 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.3 ClC1=NC=C(Br)C=N1 5159 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.3 ClC1=NC=C(I)C=C1 2078 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.3 ClC1=NC=C(I)C=N1 21488 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.3 FC1=CC=C(Br)C=C1 2251 [0,1,0,0,0,0|1,0,0]=2 208 B8R1.3 FC1=CC=C(Cl)C=C1 3420 [0,1,0,0,0,0|1,0,0]=2 209 B8R1.3 FC1=CC=C(F)C=C1 2309 [0,1,0,0,0,0|1,0,0]=2 210 B8R1.3 FC1=CC=C(I)C=C1 2103 [0,1,0,0,0,0|1,0,0]=2 211 B8R1.3 FC1=CC=C(S)C=C1 5431 [0,1,0,0,0,0|0,1,0]=2 212 B8R1.3 FC1=CN=C(Br)C=C1 1099 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.3 FC1=CN=C(Br)C=N1 27381 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.3 FC1=CN=C(Cl)C=C1 1097 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.3 FC1=CN=C(Cl)N=C1 4684 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.3 FC1=CN=C(F)C=C1 14398 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.3 FC1=NC=C(Br)C=C1 3550 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.3 FC1=NC=C(Br)C=N1 3589 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.3 FC1=NC=C(Cl)C=C1 1186 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.3 FC1=NC=C(I)C=C1 6324 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.3 IC1=CC=C(I)C=C1 3837 [0,1,0,0,0,0|1,0,0]=2 222 B8R1.3 IC1=CN=C(I)C=C1 5524 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.3 NC1=CC=C(Br)C=C1 3724 [0,1,0,0,0,0|1,0,0]=2 224 B8R1.3 NC1=CC=C(Br)N=N1 26622 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.3 NC1=CC=C(Cl)C=C1 16666 [0,1,0,0,0,0|1,0,0]=2 226 B8R1.3 NC1=CC=C(Cl)N=N1 9496 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.3 NC1=CC=C(F)C=C1 10782 [0,1,0,0,0,0|1,0,0]=2 228 B8R1.3 NC1=CC=C(F)C=C1 5246 [0,1,0,0,0,0|1,0,0]=2 229 B8R1.3 NC1=CC=C(I)C=C1 10572 [0,1,0,0,0,0|1,0,0]=2 230 B8R1.3 NC1=CC=C(N)C=C1 22180 [0,1,0,0,0,0|1,0,0]=2 231 B8R1.3 NC1=CC=C(O)C=C1 22199 [0,1,0,0,0,0|0,0,0]=1 232 B8R1.3 NC1=CC=C(S)C=C1 2471 [0,1,0,0,0,0|0,1,0]=2 233 B8R1.3 NC1=CN=C(Br)C=C1 1100 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.3 NC1=CN=C(Br)N=C1 24711 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.3 NC1=CN=C(Cl)C=C1 2406 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.3 NC1=CN=C(Cl)N=C1 6963 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.3 NC1=CN=C(F)C=C1 1155 [0,1,0,0,0,0|2,0,0]=3 238 B8R1.3 NC1=CN=C(I)C=C1 6572 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.3 NC1=CN=C(N)C=C1 13202 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.3 NC1=CN=C(N)C=C1 5497 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.3 NC1=CN=C(O)C=C1 14125 [0,1,0,0,0,0|1,0,0]=2 242 B8R1.3 NC1=CN=C(O)C=C1 6563 [0,1,0,0,0,0|1,0,0]=2 243 B8R1.3 NC1=NC=C(Br)C=C1 1107 [0,1,0,0,0,0|2,0,0]=3 244 B8R1.3 NC1=NC=C(Br)C=N1 6986 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.3 NC1=NC=C(Br)N=C1 8867 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.3 NC1=NC=C(Cl)C=C1 1153 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.3 NC1=NC=C(Cl)C=N1 9619 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.3 NC1=NC=C(Cl)N=C1 17501 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.3 NC1=NC=C(F)C=C1 1109 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.3 NC1=NC=C(I)C=C1 2407 [0,1,0,0,0,0|2,0,0]=3 251 B8R1.3 NC1=NC=C(I)N=C1 23605 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.3 NC1=NC=C(O)C=C1 5754 [0,1,0,0,0,0|1,0,0]=2 253 B8R1.3 NC1=NC=C(O)C=N1 21503 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.3 NC1=NC=C(O)N=C1 35940 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.3 O=C1C=CC(=O)C=C1 14592 [0,1,0,0,0,0|0,0,1]=2 256 B8R1.3 O=C1N=CC(Br)=CN1 6903 [0,1,0,0,0,0|2,0,1]=4 257 B8R1.3 OC1=CC=C(Br)C=C1 19708 [0,1,0,0,0,0|0,0,0]=1 258 B8R1.3 OC1=CC=C(Br)N=C1 24844 [0,1,0,0,0,0|1,0,0]=2 259 B8R1.3 OC1=CC=C(Cl)C=C1 22009 [0,1,0,0,0,0|0,0,0]=1 260 B8R1.3 OC1=CC=C(Cl)N=N1 26471 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.3 OC1=CC=C(F)C=C1 2314 [0,1,0,0,0,0|0,0,0]=1 262 B8R1.3 OC1=CC=C(I)C=C1 3199 [0,1,0,0,0,0|0,0,0]=1 263 B8R1.3 OC1=CC=C(O)C=C1 9139 [0,1,0,0,0,0|0,0,0]=1 264 B8R1.3 OC1=CC=C(O)N=N1 15702 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.3 OC1=CC=C(S)C=C1 2464 [0,1,0,0,0,0|0,0,0]=1 266 B8R1.3 OC1=CN=C(Br)C=C1 5967 [0,1,0,0,0,0|1,0,0]=2 267 B8R1.3 OC1=CN=C(Br)C=N1 7870 [0,1,0,0,0,0|2,0,0]=3 268 B8R1.3 OC1=CN=C(Cl)C=C1 2410 [0,1,0,0,0,0|1,0,0]=2 269 B8R1.3 OC1=CN=C(Cl)N=C1 10664 [0,1,0,0,0,0|2,0,0]=3 270 B8R1.3 OC1=CN=C(F)C=C1 6321 [0,1,0,0,0,0|1,0,0]=2 271 B8R1.3 OC1=CN=C(O)C=C1 5522 [0,1,0,0,0,0|1,0,0]=2 272 B8R1.3 OC1=NC=C(Br)C=C1 1178 [0,1,0,0,0,0|1,0,0]=2 273 B8R1.3 OC1=NC=C(Br)C=N1 24602 [0,1,0,0,0,0|2,0,0]=3 274 B8R1.3 OC1=NC=C(Cl)C=C1 1187 [0,1,0,0,0,0|1,0,0]=2 275 B8R1.3 OC1=NC=C(Cl)C=N1 7009 [0,1,0,0,0,0|2,0,0]=3 276 B8R1.3 OC1=NC=C(Cl)N=C1 23585 [0,1,0,0,0,0|2,0,0]=3 277 B8R1.3 OC1=NC=C(F)C=C1 6566 [0,1,0,0,0,0|1,0,0]=2 278 B8R1.3 OC1=NC=C(I)C=C1 6567 [0,1,0,0,0,0|1,0,0]=2 279 B8R1.3 SC1=CC=C(Br)C=C1 4043 [0,1,0,0,0,0|0,1,0]=2 280 B8R1.3 SC1=CC=C(Cl)C=C1 6790 [0,1,0,0,0,0|0,1,0]=2 281 B8R1.3 SC1=CC=C(S)C=C1 6866 [0,1,0,0,0,0|0,1,0]=2 282 B8R1.3 SC1=NC=C(Cl)C=C1 19566 [0,1,0,0,0,0|1,1,0]=3 283 B8R1.3 [O-][N+]1=CC=C(Cl)C=C1 19817 [0,1,0,0,0,0|1,0,1]=3 284 B8R1.4 BrC1=CC(Br)=NC=C1 5452 [0,1,0,0,0,0|2,0,0]=3 285 B8R1.4 BrC1=CC(Br)=NC=C1 5453 [0,1,0,0,0,0|2,0,0]=3 286 B8R1.4 BrC1=CC(Br)=NC=N1 27354 [0,1,0,0,0,0|3,0,0]=4 287 B8R1.4 BrC1=CC(I)=CC=C1 3785 [0,1,0,0,0,0|1,0,0]=2 288 B8R1.4 BrC1=CC(I)=CN=C1 8080 [0,1,0,0,0,0|2,0,0]=3 289 B8R1.4 BrC1=CC=CC(Br)=C1 3855 [0,1,0,0,0,0|1,0,0]=2 290 B8R1.4 BrC1=CC=CC(Br)=N1 3204 [0,1,0,0,0,0|2,0,0]=3 291 B8R1.4 BrC1=CN=CC(Br)=C1 2133 [0,1,0,0,0,0|2,0,0]=3 292 B8R1.4 BrC1=CN=CC(Br)=N1 32156 [0,1,0,0,0,0|3,0,0]=4 293 B8R1.4 BrC1=CN=NC(Br)=C1 28202 [0,1,0,0,0,0|3,0,0]=4 294 B8R1.4 BrC1=NC(Br)=NC=C1 6894 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.4 BrC1=NC=CC(I)=C1 5956 [0,1,0,0,0,0|2,0,0]=3 296 B8R1.4 CC1=CC(=O)NN=C1 11016 [0,1,0,0,0,0|2,0,1]=4 297 B8R1.4 CC1=CC(Br)=CC=C1 3836 [0,1,0,0,0,0|1,0,0]=2 298 B8R1.4 CC1=CC(Br)=NC=C1 1184 [0,1,0,0,0,0|2,0,0]=3 299 B8R1.4 CC1=CC(Br)=NC=N1 23632 [0,1,0,0,0,0|3,0,0]=4 300 B8R1.4 CC1=CC(C)=NC=C1 20508 [0,1,0,0,0,0|2,0,0]=3 301 B8R1.4 CC1=CC(C)=NC=N1 21498 [0,1,0,0,0,0|3,0,0]=4 302 B8R1.4 CC1=CC(Cl)=CC=C1 3678 [0,1,0,0,0,0|1,0,0]=2 303 B8R1.4 CC1=CC(Cl)=NC=C1 1192 [0,1,0,0,0,0|2,0,0]=3 304 B8R1.4 CC1=CC(Cl)=NC=N1 13240 [0,1,0,0,0,0|3,0,0]=4 305 B8R1.4 CC1=CC(F)=NC=C1 1203 [0,1,0,0,0,0|2,0,0]=3 306 B8R1.4 CC1=CC(I)=CC=C1 12585 [0,1,0,0,0,0|1,0,0]=2 307 B8R1.4 CC1=CC(I)=NC=C1 13513 [0,1,0,0,0,0|2,0,0]=3 308 B8R1.4 CC1=CC(N)=NC=C1 2238 [0,1,0,0,0,0|2,0,0]=3 309 B8R1.4 CC1=CC(O)=NC=C1 1206 [0,1,0,0,0,0|1,0,0]=2 310 B8R1.4 CC1=CC(O)=NC=N1 11013 [0,1,0,0,0,0|2,0,0]=3 311 B8R1.4 CC1=CC=CC(Br)=N1 1139 [0,1,0,0,0,0|2,0,0]=3 312 B8R1.4 CC1=CC=CC(C)=N1 14295 [0,1,0,0,0,0|2,0,0]=3 313 B8R1.4 CC1=CC=CC(C)=N1 15897 [0,1,0,0,0,0|2,0,0]=3 314 B8R1.4 CC1=CC=CC(Cl)=N1 1194 [0,1,0,0,0,0|2,0,0]=3 315 B8R1.4 CC1=CC=CC(F)=C1 24460 [0,1,0,0,0,0|1,0,0]=2 316 B8R1.4 CC1=CC=CC(F)=N1 6443 [0,1,0,0,0,0|2,0,0]=3 317 B8R1.4 CC1=CC=CC(I)=N1 34165 [0,1,0,0,0,0|2,0,0]=3 318 B8R1.4 CC1=CC=CC(N)=N1 5922 [0,1,0,0,0,0|2,0,0]=3 319 B8R1.4 CC1=CC=CC(O)=N1 1114 [0,1,0,0,0,0|1,0,0]=2 320 B8R1.4 CC1=CC=CC(S)=C1 6808 [0,1,0,0,0,0|0,1,0]=2 321 B8R1.4 CC1=CC=C[N+]([O-])=C1 25351 [0,1,0,0,0,0|1,0,1]=3 322 B8R1.4 CC1=CN=CC(Br)=C1 4036 [0,1,0,0,0,0|2,0,0]=3 323 B8R1.4 CC1=CN=CC(Br)=N1 32151 [0,1,0,0,0,0|3,0,0]=4 324 B8R1.4 CC1=CN=CC(C)=N1 8609 [0,1,0,0,0,0|3,0,0]=4 325 B8R1.4 CC1=CN=CC(Cl)=N1 18034 [0,1,0,0,0,0|3,0,0]=4 326 B8R1.4 CC1=CN=CC(F)=C1 10630 [0,1,0,0,0,0|2,0,0]=3 327 B8R1.4 CC1=CN=CC(N)=C1 1279 [0,1,0,0,0,0|2,0,0]=3 328 B8R1.4 CC1=CN=CC(N)=C1 9634 [0,1,0,0,0,0|2,0,0]=3 329 B8R1.4 CC1=CN=CC(N)=N1 32122 [0,1,0,0,0,0|3,0,0]=4 330 B8R1.4 CC1=CN=CC(O)=C1 6629 [0,1,0,0,0,0|1,0,0]=2 331 B8R1.4 CC1=CN=NC(Cl)=C1 11014 [0,1,0,0,0,0|3,0,0]=4 332 B8R1.4 CC1=NC(Br)=NC=C1 7007 [0,1,0,0,0,0|3,0,0]=4 333 B8R1.4 CC1=NC(Cl)=NC=C1 6906 [0,1,0,0,0,0|3,0,0]=4 334 B8R1.4 CC1=NC(N)=NC=C1 6978 [0,1,0,0,0,0|3,0,0]=4 335 B8R1.4 CC1=NC(O)=NC=C1 22005 [0,1,0,0,0,0|2,0,0]=3 336 B8R1.4 CC1=NC(S)=NC=C1 21990 [0,1,0,0,0,0|2,1,0]=4 337 B8R1.4 CC1=NC=CC(Br)=C1 4035 [0,1,0,0,0,0|2,0,0]=3 338 B8R1.4 CC1=NC=CC(Cl)=C1 2071 [0,1,0,0,0,0|2,0,0]=3 339 B8R1.4 CC1=NC=CC(Cl)=N1 16387 [0,1,0,0,0,0|3,0,0]=4 340 B8R1.4 CC1=NC=CC(F)=C1 21038 [0,1,0,0,0,0|2,0,0]=3 341 B8R1.4 CC1=NC=CC(N)=C1 1118 [0,1,0,0,0,0|2,0,0]=3 342 B8R1.4 CC1=NC=CC(O)=C1 17657 [0,1,0,0,0,0|1,0,0]=2 343 B8R1.4 ClC1=CC(Br)=NC=C1 13533 [0,1,0,0,0,0|2,0,0]=3 344 B8R1.4 ClC1=CC(Br)=NC=N1 33259 [0,1,0,0,0,0|3,0,0]=4 345 B8R1.4 ClC1=CC(Cl)=NC=C1 3531 [0,1,0,0,0,0|2,0,0]=3 346 B8R1.4 ClC1=CC(Cl)=NC=N1 6913 [0,1,0,0,0,0|3,0,0]=4 347 B8R1.4 ClC1=CC(I)=CC=C1 3647 [0,1,0,0,0,0|1,0,0]=2 348 B8R1.4 ClC1=CC(I)=CN=C1 16622 [0,1,0,0,0,0|2,0,0]=3 349 B8R1.4 ClC1=CC(I)=NC=C1 33538 [0,1,0,0,0,0|2,0,0]=3 350 B8R1.4 ClC1=CC=CC(Br)=C1 3583 [0,1,0,0,0,0|1,0,0]=2 351 B8R1.4 ClC1=CC=CC(Br)=N1 9626 [0,1,0,0,0,0|2,0,0]=3 352 B8R1.4 ClC1=CC=CC(Cl)=C1 13088 [0,1,0,0,0,0|1,0,0]=2 353 B8R1.4 ClC1=CC=CC(Cl)=N1 2564 [0,1,0,0,0,0|2,0,0]=3 354 B8R1.4 ClC1=CN=CC(Br)=C1 7700 [0,1,0,0,0,0|2,0,0]=3 355 B8R1.4 ClC1=CN=CC(Cl)=C1 13506 [0,1,0,0,0,0|2,0,0]=3 356 B8R1.4 ClC1=CN=CC(Cl)=N1 8548 [0,1,0,0,0,0|3,0,0]=4 357 B8R1.4 ClC1=NC(Br)=NC=C1 27256 [0,1,0,0,0,0|3,0,0]=4 358 B8R1.4 ClC1=NC(Cl)=NC=C1 4006 [0,1,0,0,0,0|3,0,0]=4 359 B8R1.4 ClC1=NC(I)=CC=C1 8082 [0,1,0,0,0,0|2,0,0]=3 360 B8R1.4 ClC1=NC=CC(Br)=C1 1171 [0,1,0,0,0,0|2,0,0]=3 361 B8R1.4 ClC1=NC=CC(Br)=N1 27431 [0,1,0,0,0,0|3,0,0]=4 362 B8R1.4 ClC1=NC=CC(I)=C1 2579 [0,1,0,0,0,0|2,0,0]=3 363 B8R1.4 ClC1=NC=NC(I)=C1 33260 [0,1,0,0,0,0|3,0,0]=4 364 B8R1.4 FC1=CC(Br)=NC=C1 3004 [0,1,0,0,0,0|2,0,0]=3 365 B8R1.4 FC1=CC(Cl)=NC=C1 6180 [0,1,0,0,0,0|2,0,0]=3 366 B8R1.4 FC1=CC(Cl)=NC=N1 36199 [0,1,0,0,0,0|3,0,0]=4 367 B8R1.4 FC1=CC(F)=NC=C1 16929 [0,1,0,0,0,0|2,0,0]=3 368 B8R1.4 FC1=CC(F)=NC=N1 32088 [0,1,0,0,0,0|3,0,0]=4 369 B8R1.4 FC1=CC(I)=CC=C1 3497 [0,1,0,0,0,0|1,0,0]=2 370 B8R1.4 FC1=CC(I)=CN=C1 36304 [0,1,0,0,0,0|2,0,0]=3 371 B8R1.4 FC1=CC=CC(Br)=C1 2300 [0,1,0,0,0,0|1,0,0]=2 372 B8R1.4 FC1=CC=CC(Br)=N1 26678 [0,1,0,0,0,0|2,0,0]=3 373 B8R1.4 FC1=CC=CC(Cl)=C1 3419 [0,1,0,0,0,0|1,0,0]=2 374 B8R1.4 FC1=CC=CC(Cl)=N1 9216 [0,1,0,0,0,0|2,0,0]=3 375 B8R1.4 FC1=CC=CC(F)=C1 2308 [0,1,0,0,0,0|1,0,0]=2 376 B8R1.4 FC1=CC=CC(F)=N1 9241 [0,1,0,0,0,0|2,0,0]=3 377 B8R1.4 FC1=CC=CC(S)=C1 5429 [0,1,0,0,0,0|0,1,0]=2 378 B8R1.4 FC1=CN=CC(Br)=C1 3964 [0,1,0,0,0,0|2,0,0]=3 379 B8R1.4 FC1=CN=CC(Cl)=C1 6620 [0,1,0,0,0,0|2,0,0]=3 380 B8R1.4 FC1=CN=CC(F)=C1 10556 [0,1,0,0,0,0|2,0,0]=3 381 B8R1.4 FC1=NC(Br)=CC=C1 14324 [0,1,0,0,0,0|2,0,0]=3 382 B8R1.4 FC1=NC=CC(Br)=C1 1228 [0,1,0,0,0,0|2,0,0]=3 383 B8R1.4 FC1=NC=CC(Br)=N1 22389 [0,1,0,0,0,0|3,0,0]=4 384 B8R1.4 FC1=NC=CC(Cl)=C1 13535 [0,1,0,0,0,0|2,0,0]=3 385 B8R1.4 FC1=NC=CC(I)=C1 3510 [0,1,0,0,0,0|2,0,0]=3 386 B8R1.4 IC1=CC=CC(I)=C1 3833 [0,1,0,0,0,0|1,0,0]=2 387 B8R1.4 IC1=CC=CC(I)=N1 9247 [0,1,0,0,0,0|2,0,0]=3 388 B8R1.4 NC1=CC(Br)=CC=C1 3723 [0,1,0,0,0,0|1,0,0]=2 389 B8R1.4 NC1=CC(Br)=CN=C1 1213 [0,1,0,0,0,0|2,0,0]=3 390 B8R1.4 NC1=CC(Br)=CN=N1 21540 [0,1,0,0,0,0|3,0,0]=4 391 B8R1.4 NC1=CC(Br)=NC=C1 1222 [0,1,0,0,0,0|2,0,0]=3 392 B8R1.4 NC1=CC(Cl)=CC=C1 20239 [0,1,0,0,0,0|1,0,0]=2 393 B8R1.4 NC1=CC(Cl)=CN=C1 33660 [0,1,0,0,0,0|2,0,0]=3 394 B8R1.4 NC1=CC(Cl)=NC=C1 1248 [0,1,0,0,0,0|2,0,0]=3 395 B8R1.4 NC1=CC(F)=CC=C1 10751 [0,1,0,0,0,0|1,0,0]=2 396 B8R1.4 NC1=CC(F)=CC=C1 13943 [0,1,0,0,0,0|1,0,0]=2 397 B8R1.4 NC1=CC(F)=CN=C1 1260 [0,1,0,0,0,0|2,0,0]=3 398 B8R1.4 NC1=CC(F)=NC=C1 1227 [0,1,0,0,0,0|2,0,0]=3 399 B8R1.4 NC1=CC(I)=CC=C1 10577 [0,1,0,0,0,0|1,0,0]=2 400 B8R1.4 NC1=CC(I)=CN=C1 27047 [0,1,0,0,0,0|2,0,0]=3 401 B8R1.4 NC1=CC(N)=NC=C1 5418 [0,1,0,0,0,0|2,0,0]=3 402 B8R1.4 NC1=CC(N)=NC=N1 7074 [0,1,0,0,0,0|3,0,0]=4 403 B8R1.4 NC1=CC(O)=NC=C1 6648 [0,1,0,0,0,0|1,0,0]=2 404 B8R1.4 NC1=CC=CC(N)=N1 15371 [0,1,0,0,0,0|2,0,0]=3 405 B8R1.4 NC1=CC=CC(O)=C1 18119 [0,1,0,0,0,0|0,0,0]=1 406 B8R1.4 NC1=CC=CC(O)=N1 25861 [0,1,0,0,0,0|1,0,0]=2 407 B8R1.4 NC1=CC=CC(S)=C1 2470 [0,1,0,0,0,0|0,1,0]=2 408 B8R1.4 NC1=CN=CC(N)=C1 2257 [0,1,0,0,0,0|2,0,0]=3 409 B8R1.4 NC1=CN=CC(N)=N1 32132 [0,1,0,0,0,0|3,0,0]=4 410 B8R1.4 NC1=CN=CC(O)=C1 6627 [0,1,0,0,0,0|1,0,0]=2 411 B8R1.4 NC1=NC(=O)NC=C1 14137 [0,1,0,0,0,0|2,0,1]=4 412 B8R1.4 NC1=NC(Br)=CC=C1 17525 [0,1,0,0,0,0|2,0,0]=3 413 B8R1.4 NC1=NC(Br)=CC=C1 7663 [0,1,0,0,0,0|2,0,0]=3 414 B8R1.4 NC1=NC(Br)=CN=C1 32146 [0,1,0,0,0,0|3,0,0]=4 415 B8R1.4 NC1=NC(Br)=NC=C1 27388 [0,1,0,0,0,0|3,0,0]=4 416 B8R1.4 NC1=NC(Cl)=CC=C1 9117 [0,1,0,0,0,0|2,0,0]=3 417 B8R1.4 NC1=NC(Cl)=CN=C1 8386 [0,1,0,0,0,0|3,0,0]=4 418 B8R1.4 NC1=NC(Cl)=CN=C1 8543 [0,1,0,0,0,0|3,0,0]=4 419 B8R1.4 NC1=NC(Cl)=NC=C1 6955 [0,1,0,0,0,0|3,0,0]=4 420 B8R1.4 NC1=NC(F)=CC=C1 2979 [0,1,0,0,0,0|2,0,0]=3 421 B8R1.4 NC1=NC(I)=CC=C1 26933 [0,1,0,0,0,0|2,0,0]=3 422 B8R1.4 NC1=NC(N)=NC=C1 7056 [0,1,0,0,0,0|3,0,0]=4 423 B8R1.4 NC1=NC=CC(=O)N1 15780 [0,1,0,0,0,0|2,0,1]=4 424 B8R1.4 NC1=NC=CC(Br)=C1 4039 [0,1,0,0,0,0|2,0,0]=3 425 B8R1.4 NC1=NC=CC(Br)=N1 16291 [0,1,0,0,0,0|3,0,0]=4 426 B8R1.4 NC1=NC=CC(Cl)=C1 5695 [0,1,0,0,0,0|2,0,0]=3 427 B8R1.4 NC1=NC=CC(Cl)=N1 7347 [0,1,0,0,0,0|3,0,0]=4 428 B8R1.4 NC1=NC=CC(F)=C1 19911 [0,1,0,0,0,0|2,0,0]=3 429 B8R1.4 NC1=NC=CC(O)=C1 6677 [0,1,0,0,0,0|1,0,0]=2 430 B8R1.4 NC1=NC=NC(Cl)=C1 6990 [0,1,0,0,0,0|3,0,0]=4 431 B8R1.4 NC1=NC=NC(O)=C1 6996 [0,1,0,0,0,0|2,0,0]=3 432 B8R1.4 O=C1C=C(I)C=NN1 25811 [0,1,0,0,0,0|2,0,1]=4 433 B8R1.4 O=C1C=CNC(=O)N1 14135 [0,1,0,0,0,0|2,0,1]=4 434 B8R1.4 O=C1C=CNC(=O)N1 35602 [0,1,0,0,0,0|2,0,1]=4 435 B8R1.4 O=C1C=CNC(=S)N1 27221 [0,1,0,0,0,0|2,0,1]=4 436 B8R1.4 OC1=CC(Br)=CC=C1 3824 [0,1,0,0,0,0|0,0,0]=1 437 B8R1.4 OC1=CC(Br)=CN=C1 9214 [0,1,0,0,0,0|1,0,0]=2 438 B8R1.4 OC1=CC(Br)=NC=C1 23393 [0,1,0,0,0,0|1,0,0]=2 439 B8R1.4 OC1=CC(Cl)=CC=C1 3677 [0,1,0,0,0,0|0,0,0]=1 440 B8R1.4 OC1=CC(Cl)=CN=C1 6628 [0,1,0,0,0,0|1,0,0]=2 441 B8R1.4 OC1=CC(Cl)=NC=C1 2578 [0,1,0,0,0,0|1,0,0]=2 442 B8R1.4 OC1=CC(F)=CC=C1 3884 [0,1,0,0,0,0|0,0,0]=1 443 B8R1.4 OC1=CC(I)=CC=C1 3968 [0,1,0,0,0,0|0,0,0]=1 444 B8R1.4 OC1=CC(I)=CN=C1 27396 [0,1,0,0,0,0|1,0,0]=2 445 B8R1.4 OC1=CC(O)=NC=C1 5487 [0,1,0,0,0,0|1,0,0]=2 446 B8R1.4 OC1=CC(O)=NC=N1 7102 [0,1,0,0,0,0|2,0,0]=3 447 B8R1.4 OC1=CC=CC(Br)=N1 15211 [0,1,0,0,0,0|1,0,0]=2 448 B8R1.4 OC1=CC=CC(Cl)=N1 12988 [0,1,0,0,0,0|1,0,0]=2 449 B8R1.4 OC1=CC=CC(O)=C1 22214 [0,1,0,0,0,0|0,0,0]=1 450 B8R1.4 OC1=CC=CC(O)=N1 17666 [0,1,0,0,0,0|1,0,0]=2 451 B8R1.4 OC1=CC=CC(S)=C1 6829 [0,1,0,0,0,0|0,0,0]=1 452 B8R1.4 OC1=CN=CC(F)=C1 6625 [0,1,0,0,0,0|1,0,0]=2 453 B8R1.4 OC1=CN=CC(O)=C1 27828 [0,1,0,0,0,0|1,0,0]=2 454 B8R1.4 OC1=NC(Cl)=CN=C1 22112 [0,1,0,0,0,0|2,0,0]=3 455 B8R1.4 OC1=NC(Cl)=NC=C1 19316 [0,1,0,0,0,0|2,0,0]=3 456 B8R1.4 OC1=NC=CC(Br)=C1 6560 [0,1,0,0,0,0|1,0,0]=2 457 B8R1.4 OC1=NC=CC(Cl)=C1 9621 [0,1,0,0,0,0|1,0,0]=2 458 B8R1.4 OC1=NC=CC(I)=C1 27672 [0,1,0,0,0,0|1,0,0]=2 459 B8R1.4 OC1=NC=NC(Cl)=C1 7030 [0,1,0,0,0,0|2,0,0]=3 460 B8R1.4 SC1=CC(Br)=CC=C1 6805 [0,1,0,0,0,0|0,1,0]=2 461 B8R1.4 SC1=CC(Cl)=CC=C1 6785 [0,1,0,0,0,0|0,1,0]=2 462 B8R1.4 SC1=NC(S)=NC=C1 13569 [0,1,0,0,0,0|2,1,0]=4 463 B8R1.4 [O-][N+]1=CC(Br)=CC=C1 20423 [0,1,0,0,0,0|1,0,1]=3 464 B8R1.4 [O-][N+]1=CC(Cl)=CC=C1 1197 [0,1,0,0,0,0|1,0,1]=3 465 B8R1.4 [O-][N+]1=CC(F)=CC=C1 14114 [0,1,0,0,0,0|1,0,1]=3 466 B8R1.4 [O-][N+]1=CN=CC(O)=C1 25054 [0,1,0,0,0,0|2,0,0]=3 467 B8R1.5 BrC1=C(Br)C=CC=C1 3852 [0,1,0,0,0,0|1,0,0]=2 468 B8R1.5 BrC1=C(Br)C=NC=C1 6611 [0,1,0,0,0,0|2,0,0]=3 469 B8R1.5 BrC1=C(I)C=CC=C1 19983 [0,1,0,0,0,0|1,0,0]=2 470 B8R1.5 BrC1=C(I)C=CC=C1 2278 [0,1,0,0,0,0|1,0,0]=2 471 B8R1.5 BrC1=C(I)C=CN=C1 35720 [0,1,0,0,0,0|2,0,0]=3 472 B8R1.5 BrC1=CC=CN=C1Br 5402 [0,1,0,0,0,0|2,0,0]=3 473 B8R1.5 BrC1=CC=CN=C1I 11018 [0,1,0,0,0,0|2,0,0]=3 474 B8R1.5 BrC1=NC=CC=C1I 13529 [0,1,0,0,0,0|2,0,0]=3 475 B8R1.5 CC1=C(Br)C=CC=C1 3834 [0,1,0,0,0,0|1,0,0]=2 476 B8R1.5 CC1=C(Br)C=CN=C1 10604 [0,1,0,0,0,0|2,0,0]=3 477 B8R1.5 CC1=C(Br)C=CN=C1 6889 [0,1,0,0,0,0|2,0,0]=3 478 B8R1.5 CC1=C(Br)C=NC=C1 3994 [0,1,0,0,0,0|2,0,0]=3 479 B8R1.5 CC1=C(Cl)C=CC=C1 19748 [0,1,0,0,0,0|1,0,0]=2 480 B8R1.5 CC1=C(Cl)C=CN=C1 17464 [0,1,0,0,0,0|2,0,0]=3 481 B8R1.5 CC1=C(Cl)C=CN=C1 9218 [0,1,0,0,0,0|2,0,0]=3 482 B8R1.5 CC1=C(Cl)C=NC=C1 14323 [0,1,0,0,0,0|2,0,0]=3 483 B8R1.5 CC1=C(Cl)N=NC=C1 11015 [0,1,0,0,0,0|3,0,0]=4 484 B8R1.5 CC1=C(F)C=CN=C1 15249 [0,1,0,0,0,0|2,0,0]=3 485 B8R1.5 CC1=C(F)C=NC=C1 9251 [0,1,0,0,0,0|2,0,0]=3 486 B8R1.5 CC1=C(I)C=CC=C1 9516 [0,1,0,0,0,0|1,0,0]=2 487 B8R1.5 CC1=C(N)C=CN=C1 1119 [0,1,0,0,0,0|2,0,0]=3 488 B8R1.5 CC1=C(N)C=NC=C1 1278 [0,1,0,0,0,0|2,0,0]=3 489 B8R1.5 CC1=C(O)C=NC=C1 15184 [0,1,0,0,0,0|1,0,0]=2 490 B8R1.5 CC1=C(O)N=NC=C1 19780 [0,1,0,0,0,0|2,0,0]=3 491 B8R1.5 CC1=C(S)C=CC=C1 6806 [0,1,0,0,0,0|0,1,0]=2 492 B8R1.5 CC1=CC=CC=C1N 20202 [0,1,0,0,0,0|1,0,0]=2 493 B8R1.5 CC1=CC=CC=C1O 15714 [0,1,0,0,0,0|0,0,0]=1 494 B8R1.5 CC1=CC=CN=C1Br 9208 [0,1,0,0,0,0|2,0,0]=3 495 B8R1.5 CC1=CC=CN=C1C 20520 [0,1,0,0,0,0|2,0,0]=3 496 B8R1.5 CC1=CC=CN=C1Cl 2074 [0,1,0,0,0,0|2,0,0]=3 497 B8R1.5 CC1=CC=CN=C1F 3992 [0,1,0,0,0,0|2,0,0]=3 498 B8R1.5 CC1=CC=CN=C1I 14399 [0,1,0,0,0,0|2,0,0]=3 499 B8R1.5 CC1=CC=CN=C1N 1217 [0,1,0,0,0,0|2,0,0]=3 500 B8R1.5 CC1=CC=CN=C1O 14401 [0,1,0,0,0,0|1,0,0]=2 501 B8R1.5 CC1=CC=CN=C1O 8871 [0,1,0,0,0,0|1,0,0]=2 502 B8R1.5 CC1=CN=CN=C1Cl 21457 [0,1,0,0,0,0|3,0,0]=4 503 B8R1.5 CC1=NC=CC=C1Br 1220 [0,1,0,0,0,0|2,0,0]=3 504 B8R1.5 CC1=NC=CC=C1Cl 14380 [0,1,0,0,0,0|2,0,0]=3 505 B8R1.5 CC1=NC=CC=C1F 14381 [0,1,0,0,0,0|2,0,0]=3 506 B8R1.5 CC1=NC=CC=C1I 14400 [0,1,0,0,0,0|2,0,0]=3 507 B8R1.5 CC1=NC=CC=C1N 2076 [0,1,0,0,0,0|2,0,0]=3 508 B8R1.5 CC1=NC=CC=C1O 6626 [0,1,0,0,0,0|1,0,0]=2 509 B8R1.5 CC1=NC=CN=C1Br 18035 [0,1,0,0,0,0|3,0,0]=4 510 B8R1.5 CC1=NC=CN=C1C 8607 [0,1,0,0,0,0|3,0,0]=4 511 B8R1.5 CC1=NC=CN=C1Cl 2149 [0,1,0,0,0,0|3,0,0]=4 512 B8R1.5 CC1=NC=CN=C1N 19617 [0,1,0,0,0,0|3,0,0]=4 513 B8R1.5 CC1=NC=CN=C1O 34244 [0,1,0,0,0,0|2,0,0]=3 514 B8R1.5 CC1=NC=NC=C1Br 17240 [0,1,0,0,0,0|3,0,0]=4 515 B8R1.5 CC1=NC=NC=C1Cl 16949 [0,1,0,0,0,0|3,0,0]=4 516 B8R1.5 CC1=NC=NC=C1N 19924 [0,1,0,0,0,0|3,0,0]=4 517 B8R1.5 CC1=[N+]([O-])C=CC=C1 14342 [0,1,0,0,0,0|1,0,1]=3 518 B8R1.5 CN1C=CC=CC1=O 25381 [0,1,0,0,0,0|1,0,1]=3 519 B8R1.5 C[N+]1=C(Cl)C=CC=C1 16659 [0,1,0,0,0,0|2,0,0]=3 520 B8R1.5 ClC1=C(Br)C=CC=C1 3582 [0,1,0,0,0,0|1,0,0]=2 521 B8R1.5 ClC1=C(Br)C=CN=C1 1288 [0,1,0,0,0,0|2,0,0]=3 522 B8R1.5 ClC1=C(Br)C=NC=C1 1287 [0,1,0,0,0,0|2,0,0]=3 523 B8R1.5 ClC1=C(Br)C=NC=C1 27014 [0,1,0,0,0,0|2,0,0]=3 524 B8R1.5 ClC1=C(Cl)C=CC=C1 16667 [0,1,0,0,0,0|1,0,0]=2 525 B8R1.5 ClC1=C(Cl)C=NC=C1 6613 [0,1,0,0,0,0|2,0,0]=3 526 B8R1.5 ClC1=C(Cl)C=NC=C1 9823 [0,1,0,0,0,0|2,0,0]=3 527 B8R1.5 ClC1=C(I)C=CC=C1 3646 [0,1,0,0,0,0|1,0,0]=2 528 B8R1.5 ClC1=C(I)C=CN=C1 9822 [0,1,0,0,0,0|2,0,0]=3 529 B8R1.5 ClC1=C(I)C=NC=C1 8083 [0,1,0,0,0,0|2,0,0]=3 530 B8R1.5 ClC1=CC=CN=C1Br 5776 [0,1,0,0,0,0|2,0,0]=3 531 B8R1.5 ClC1=CC=CN=C1Cl 1198 [0,1,0,0,0,0|2,0,0]=3 532 B8R1.5 ClC1=CN=CN=C1Cl 12434 [0,1,0,0,0,0|3,0,0]=4 533 B8R1.5 ClC1=CN=NC=C1Cl 19556 [0,1,0,0,0,0|3,0,0]=4 534 B8R1.5 ClC1=NC=CC=C1Br 1098 [0,1,0,0,0,0|2,0,0]=3 535 B8R1.5 ClC1=NC=CC=C1I 1188 [0,1,0,0,0,0|2,0,0]=3 536 B8R1.5 ClC1=NC=CN=C1Cl 8547 [0,1,0,0,0,0|3,0,0]=4 537 B8R1.5 ClC1=NC=NC=C1Br 35503 [0,1,0,0,0,0|3,0,0]=4 538 B8R1.5 ClC1=NC=NC=C1I 7344 [0,1,0,0,0,0|3,0,0]=4 539 B8R1.5 FC1=C(Br)C=CC=C1 3215 [0,1,0,0,0,0|1,0,0]=2 540 B8R1.5 FC1=C(Br)C=CN=C1 18130 [0,1,0,0,0,0|2,0,0]=3 541 B8R1.5 FC1=C(Br)C=CN=C1 6660 [0,1,0,0,0,0|2,0,0]=3 542 B8R1.5 FC1=C(Br)C=NC=C1 3009 [0,1,0,0,0,0|2,0,0]=3 543 B8R1.5 FC1=C(Cl)C=CC=C1 3418 [0,1,0,0,0,0|1,0,0]=2 544 B8R1.5 FC1=C(Cl)C=CN=C1 6667 [0,1,0,0,0,0|2,0,0]=3 545 B8R1.5 FC1=C(Cl)C=CN=C1 6668 [0,1,0,0,0,0|2,0,0]=3 546 B8R1.5 FC1=C(Cl)C=NC=C1 6675 [0,1,0,0,0,0|2,0,0]=3 547 B8R1.5 FC1=C(F)C=CC=C1 2307 [0,1,0,0,0,0|1,0,0]=2 548 B8R1.5 FC1=C(F)C=NC=C1 16287 [0,1,0,0,0,0|2,0,0]=3 549 B8R1.5 FC1=C(I)C=CC=C1 3496 [0,1,0,0,0,0|1,0,0]=2 550 B8R1.5 FC1=C(I)C=CN=C1 9249 [0,1,0,0,0,0|2,0,0]=3 551 B8R1.5 FC1=C(S)C=CC=C1 5428 [0,1,0,0,0,0|0,1,0]=2 552 B8R1.5 FC1=CC=CN=C1Br 3002 [0,1,0,0,0,0|2,0,0]=3 553 B8R1.5 FC1=CC=CN=C1Cl 2532 [0,1,0,0,0,0|2,0,0]=3 554 B8R1.5 FC1=CC=CN=C1F 5414 [0,1,0,0,0,0|2,0,0]=3 555 B8R1.5 FC1=CC=CN=C1I 6569 [0,1,0,0,0,0|2,0,0]=3 556 B8R1.5 FC1=CN=CN=C1Cl 18607 [0,1,0,0,0,0|3,0,0]=4 557 B8R1.5 FC1=NC=CC=C1Br 3008 [0,1,0,0,0,0|2,0,0]=3 558 B8R1.5 FC1=NC=CC=C1Cl 6263 [0,1,0,0,0,0|2,0,0]=3 559 B8R1.5 FC1=NC=CC=C1I 1231 [0,1,0,0,0,0|2,0,0]=3 560 B8R1.5 IC1=C(I)C=CC=C1 3831 [0,1,0,0,0,0|1,0,0]=2 561 B8R1.5 IC1=CC=CN=C1I 9245 [0,1,0,0,0,0|2,0,0]=3 562 B8R1.5 NC1=C(Br)C=CC=C1 3722 [0,1,0,0,0,0|1,0,0]=2 563 B8R1.5 NC1=C(Br)C=CN=C1 6658 [0,1,0,0,0,0|2,0,0]=3 564 B8R1.5 NC1=C(Br)C=NC=C1 1242 [0,1,0,0,0,0|2,0,0]=3 565 B8R1.5 NC1=C(Cl)C=CC=C1 19107 [0,1,0,0,0,0|1,0,0]=2 566 B8R1.5 NC1=C(Cl)C=CN=C1 6665 [0,1,0,0,0,0|2,0,0]=3 567 B8R1.5 NC1=C(Cl)C=NC=C1 6653 [0,1,0,0,0,0|2,0,0]=3 568 B8R1.5 NC1=C(F)C=CC=C1 15382 [0,1,0,0,0,0|1,0,0]=2 569 B8R1.5 NC1=C(F)C=CC=C1 5245 [0,1,0,0,0,0|1,0,0]=2 570 B8R1.5 NC1=C(F)C=NC=C1 1261 [0,1,0,0,0,0|2,0,0]=3 571 B8R1.5 NC1=C(F)C=NC=C1 26667 [0,1,0,0,0,0|2,0,0]=3 572 B8R1.5 NC1=C(I)C=CC=C1 10573 [0,1,0,0,0,0|1,0,0]=2 573 B8R1.5 NC1=C(I)C=CN=C1 6681 [0,1,0,0,0,0|2,0,0]=3 574 B8R1.5 NC1=C(I)C=NC=C1 6632 [0,1,0,0,0,0|2,0,0]=3 575 B8R1.5 NC1=C(N)C=CC=C1 32376 [0,1,0,0,0,0|1,0,0]=2 576 B8R1.5 NC1=C(N)C=NC=C1 1295 [0,1,0,0,0,0|2,0,0]=3 577 B8R1.5 NC1=C(O)C=CN=C1 6679 [0,1,0,0,0,0|1,0,0]=2 578 B8R1.5 NC1=C(O)C=NC=C1 6654 [0,1,0,0,0,0|1,0,0]=2 579 B8R1.5 NC1=C(S)C=CC=C1 5424 [0,1,0,0,0,0|0,1,0]=2 580 B8R1.5 NC1=CC=CN=C1Br 5766 [0,1,0,0,0,0|2,0,0]=3 581 B8R1.5 NC1=CC=CN=C1Cl 1096 [0,1,0,0,0,0|2,0,0]=3 582 B8R1.5 NC1=CC=CN=C1F 1259 [0,1,0,0,0,0|2,0,0]=3 583 B8R1.5 NC1=CC=CN=C1I 9292 [0,1,0,0,0,0|2,0,0]=3 584 B8R1.5 NC1=CC=CN=C1N 1296 [0,1,0,0,0,0|2,0,0]=3 585 B8R1.5 NC1=CC=CN=C1N 5394 [0,1,0,0,0,0|2,0,0]=3 586 B8R1.5 NC1=CC=CN=C1O 1263 [0,1,0,0,0,0|1,0,0]=2 587 B8R1.5 NC1=CN=CN=C1Br 34253 [0,1,0,0,0,0|3,0,0]=4 588 B8R1.5 NC1=CN=CN=C1N 44977 [0,1,0,0,0,0|3,0,0]=4 589 B8R1.5 NC1=CN=CN=C1N 7057 [0,1,0,0,0,0|3,0,0]=4 590 B8R1.5 NC1=NC=CC=C1Br 1241 [0,1,0,0,0,0|2,0,0]=3 591 B8R1.5 NC1=NC=CC=C1Cl 5562 [0,1,0,0,0,0|2,0,0]=3 592 B8R1.5 NC1=NC=CC=C1F 2976 [0,1,0,0,0,0|2,0,0]=3 593 B8R1.5 NC1=NC=CC=C1I 1265 [0,1,0,0,0,0|2,0,0]=3 594 B8R1.5 NC1=NC=CC=C1O 2574 [0,1,0,0,0,0|1,0,0]=2 595 B8R1.5 NC1=NC=CC=C1S 16432 [0,1,0,0,0,0|1,1,0]=3 596 B8R1.5 NC1=NC=CN=C1Br 27947 [0,1,0,0,0,0|3,0,0]=4 597 B8R1.5 NC1=NC=CN=C1Cl 16808 [0,1,0,0,0,0|3,0,0]=4 598 B8R1.5 NC1=NC=CN=C1Cl 2044 [0,1,0,0,0,0|3,0,0]=4 599 B8R1.5 NC1=NC=CN=C1N 32139 [0,1,0,0,0,0|3,0,0]=4 600 B8R1.5 NC1=NC=CN=C1O 27948 [0,1,0,0,0,0|2,0,0]=3 601 B8R1.5 NC1=NC=NC=C1Br 14978 [0,1,0,0,0,0|3,0,0]=4 602 B8R1.5 Nc1ccccc1N 23346 [0,1,0,0,0,0|1,0,0]=2 603 B8R1.5 O=C1C=COC=C1O 25209 [0,1,0,0,0,0|1,0,0]=2 604 B8R1.5 OC1=C(Br)C=CC=C1 3841 [0,1,0,0,0,0|0,0,0]=1 605 B8R1.5 OC1=C(Br)C=CN=C1 6661 [0,1,0,0,0,0|1,0,0]=2 606 B8R1.5 OC1=C(Br)C=NC=C1 6678 [0,1,0,0,0,0|1,0,0]=2 607 B8R1.5 OC1=C(Cl)C=CC=C1 12600 [0,1,0,0,0,0|0,0,0]=1 608 B8R1.5 OC1=C(Cl)C=CN=C1 6669 [0,1,0,0,0,0|1,0,0]=2 609 B8R1.5 OC1=C(Cl)C=NC=C1 6680 [0,1,0,0,0,0|1,0,0]=2 610 B8R1.5 OC1=C(F)C=CC=C1 2313 [0,1,0,0,0,0|0,0,0]=1 611 B8R1.5 OC1=C(I)C=CC=C1 3963 [0,1,0,0,0,0|0,0,0]=1 612 B8R1.5 OC1=C(S)C=CC=C1 6827 [0,1,0,0,0,0|0,0,0]=1 613 B8R1.5 OC1=CC=CN=C1Br 2572 [0,1,0,0,0,0|1,0,0]=2 614 B8R1.5 OC1=CC=CN=C1Cl 2577 [0,1,0,0,0,0|1,0,0]=2 615 B8R1.5 OC1=CC=CN=C1F 6290 [0,1,0,0,0,0|1,0,0]=2 616 B8R1.5 OC1=CC=CN=C1I 6571 [0,1,0,0,0,0|1,0,0]=2 617 B8R1.5 OC1=CC=CN=C1O 2580 [0,1,0,0,0,0|1,0,0]=2 618 B8R1.5 OC1=NC=CC=C1Br 1177 [0,1,0,0,0,0|1,0,0]=2 619 B8R1.5 OC1=NC=CC=C1Cl 6538 [0,1,0,0,0,0|1,0,0]=2 620 B8R1.5 OC1=NC=CC=C1F 1200 [0,1,0,0,0,0|1,0,0]=2 621 B8R1.5 OC1=NC=CC=C1I 6701 [0,1,0,0,0,0|1,0,0]=2 622 B8R1.5 OC1=NC=NC=C1Br 24352 [0,1,0,0,0,0|2,0,0]=3 623 B8R1.5 OC1=NC=NC=C1F 7191 [0,1,0,0,0,0|2,0,0]=3 624 B8R1.5 SC1=C(Br)C=CC=C1 4009 [0,1,0,0,0,0|0,1,0]=2 625 B8R1.5 SC1=C(Cl)C=CC=C1 6776 [0,1,0,0,0,0|0,1,0]=2 626 B8R1.5 [O-][N+]1=C(Br)C=CC=C1 13510 [0,1,0,0,0,0|1,0,1]=3 627 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 1196 [0,1,0,0,0,0|1,0,1]=3 628 B8R1.5 [O-][N+]1=CC=CC=C1O 26927 [0,1,0,0,0,0|1,0,0]=2 629 B8R1.72 NC1(Br)C=CC=CN1 28918 [0,1,0,0,0,0|2,0,1]=4 630 B6R0.4 C=CCCC(=O)O 20009 [0,0,1,0,0,0|1,0,2]=4 631 B6R0.6 C\C=C\C=C\CO 13747 [0,0,1,0,0,0|0,0,2]=3 632 B6R1.2 BrC1=CC=CO1 6929 [0,0,0,0,1,0|2,0,0]=3 633 B6R1.2 BrC1=CC=CS1 5313 [0,0,0,0,1,0|2,0,0]=3 634 B6R1.2 BrC1=CC=NO1 14443 [0,0,0,0,1,0|3,0,0]=4 635 B6R1.2 BrC1=CC=NS1 12056 [0,0,0,0,1,0|3,0,0]=4 636 B6R1.2 BrC1=CN=CS1 2077 [0,0,0,0,1,0|3,0,0]=4 637 B6R1.2 BrC1=CNC=N1 9443 [0,0,0,0,1,0|3,0,0]=4 638 B6R1.2 BrC1=CNN=C1 11041 [0,0,0,0,1,0|3,0,0]=4 639 B6R1.2 BrC1=COC=C1 8830 [0,0,0,0,1,0|2,0,0]=3 640 B6R1.2 BrC1=CSC=C1 5306 [0,0,0,0,1,0|2,0,0]=3 641 B6R1.2 BrC1=CSC=N1 4040 [0,0,0,0,1,0|3,0,0]=4 642 B6R1.2 BrC1=CSN=C1 12057 [0,0,0,0,1,0|3,0,0]=4 643 B6R1.2 BrC1=NC=CN1 8987 [0,0,0,0,1,0|3,0,0]=4 644 B6R1.2 BrC1=NC=CS1 15748 [0,0,0,0,1,0|3,0,0]=4 645 B6R1.2 BrC1=NNC=C1 22992 [0,0,0,0,1,0|3,0,0]=4 646 B6R1.2 BrC1=NSC=C1 12058 [0,0,0,0,1,0|3,0,0]=4 647 B6R1.2 Br[C-]1C=CC=C1 36254 [0,0,0,0,1,0|1,0,1]=3 648 B6R1.2 CC1=CC=CO1 11230 [0,0,0,0,1,0|2,0,0]=3 649 B6R1.2 CC1=CC=CS1 5204 [0,0,0,0,1,0|2,0,0]=3 650 B6R1.2 CC1=CC=NN1 10442 [0,0,0,0,1,0|3,0,0]=4 651 B6R1.2 CC1=CC=NO1 8634 [0,0,0,0,1,0|3,0,0]=4 652 B6R1.2 CC1=CC=NS1 45145 [0,0,0,0,1,0|3,0,0]=4 653 B6R1.2 CC1=CNC=C1 13921 [0,0,0,0,1,0|2,0,0]=3 654 B6R1.2 CC1=CNC=N1 7153 [0,0,0,0,1,0|3,0,0]=4 655 B6R1.2 CC1=CNN=C1 13055 [0,0,0,0,1,0|3,0,0]=4 656 B6R1.2 CC1=COC=C1 19993 [0,0,0,0,1,0|2,0,0]=3 657 B6R1.2 CC1=COC=N1 23604 [0,0,0,0,1,0|3,0,0]=4 658 B6R1.2 CC1=CON=C1 24245 [0,0,0,0,1,0|3,0,0]=4 659 B6R1.2 CC1=CSC=C1 5565 [0,0,0,0,1,0|2,0,0]=3 660 B6R1.2 CC1=CSC=N1 23683 [0,0,0,0,1,0|3,0,0]=4 661 B6R1.2 CC1=NC=CN1 8049 [0,0,0,0,1,0|3,0,0]=4 662 B6R1.2 CC1=NC=CS1 15749 [0,0,0,0,1,0|3,0,0]=4 663 B6R1.2 CC1=NNC=C1 13253 [0,0,0,0,1,0|3,0,0]=4 664 B6R1.2 CN1C=CC=C1 10822 [0,0,0,0,1,0|2,0,0]=3 665 B6R1.2 CN1C=CC=N1 20862 [0,0,0,0,1,0|3,0,0]=4 666 B6R1.2 CN1C=CN=C1 15971 [0,0,0,0,1,0|3,0,0]=4 667 B6R1.2 ClC1=CC=CS1 7376 [0,0,0,0,1,0|2,0,0]=3 668 B6R1.2 ClC1=CNN=C1 14005 [0,0,0,0,1,0|3,0,0]=4 669 B6R1.2 ClC1=CSC=C1 5477 [0,0,0,0,1,0|2,0,0]=3 670 B6R1.2 ClC1=NC=CN1 7597 [0,0,0,0,1,0|3,0,0]=4 671 B6R1.2 ClC1=NC=CS1 15569 [0,0,0,0,1,0|3,0,0]=4 672 B6R1.2 ClC1=NNC=C1 23622 [0,0,0,0,1,0|3,0,0]=4 673 B6R1.2 FC1=CN=CN1 13602 [0,0,0,0,1,0|3,0,0]=4 674 B6R1.2 FC1=NC=CN1 13605 [0,0,0,0,1,0|3,0,0]=4 675 B6R1.2 IC1=CC=CS1 5547 [0,0,0,0,1,0|2,0,0]=3 676 B6R1.2 IC1=CN=CS1 27981 [0,0,0,0,1,0|3,0,0]=4 677 B6R1.2 IC1=CNC=N1 7930 [0,0,0,0,1,0|3,0,0]=4 678 B6R1.2 IC1=CNN=C1 13295 [0,0,0,0,1,0|3,0,0]=4 679 B6R1.2 IC1=CSC=C1 16213 [0,0,0,0,1,0|2,0,0]=3 680 B6R1.2 IC1=NC=CN1 9423 [0,0,0,0,1,0|3,0,0]=4 681 B6R1.2 NC1=CC=CN1 13838 [0,0,0,0,1,0|2,0,0]=3 682 B6R1.2 NC1=CC=NO1 24641 [0,0,0,0,1,0|3,0,0]=4 683 B6R1.2 NC1=CC=NS1 24255 [0,0,0,0,1,0|3,0,0]=4 684 B6R1.2 NC1=CN=CS1 17251 [0,0,0,0,1,0|3,0,0]=4 685 B6R1.2 NC1=CN=CS1 20291 [0,0,0,0,1,0|3,0,0]=4 686 B6R1.2 NC1=CNC=N1 19885 [0,0,0,0,1,0|3,0,0]=4 687 B6R1.2 NC1=CNN=C1 14988 [0,0,0,0,1,0|3,0,0]=4 688 B6R1.2 NC1=CON=C1 22316 [0,0,0,0,1,0|3,0,0]=4 689 B6R1.2 NC1=CSC=C1 14847 [0,0,0,0,1,0|2,0,0]=3 690 B6R1.2 NC1=CSC=C1 25687 [0,0,0,0,1,0|2,0,0]=3 691 B6R1.2 NC1=NC=CN1 23659 [0,0,0,0,1,0|3,0,0]=4 692 B6R1.2 NC1=NC=CN1 8378 [0,0,0,0,1,0|3,0,0]=4 693 B6R1.2 NC1=NC=CS1 20596 [0,0,0,0,1,0|3,0,0]=4 694 B6R1.2 NC1=NNC=C1 11252 [0,0,0,0,1,0|3,0,0]=4 695 B6R1.2 NC1=NNC=C1 17834 [0,0,0,0,1,0|3,0,0]=4 696 B6R1.2 NC1=NOC=C1 8627 [0,0,0,0,1,0|3,0,0]=4 697 B6R1.2 NN1C=CC=C1 12475 [0,0,0,0,1,0|2,0,0]=3 698 B6R1.2 NN1C=CC=C1 23913 [0,0,0,0,1,0|2,0,0]=3 699 B6R1.2 O=C1C=CCC1 9803 [0,0,0,0,1,0|0,0,3]=4 700 B6R1.2 O=C1C=CCN1 23871 [0,0,0,0,1,0|1,0,2]=4 701 B6R1.2 O=C1C=CNN1 23624 [0,0,0,0,1,0|2,0,1]=4 702 B6R1.2 O=C1C=CON1 27643 [0,0,0,0,1,0|2,0,1]=4 703 B6R1.2 O=C1C=CSN1 20292 [0,0,0,0,1,0|2,0,1]=4 704 B6R1.2 O=C1CC=CC1 12654 [0,0,0,0,1,0|0,0,3]=4 705 B6R1.2 O=C1NC=CN1 18114 [0,0,0,0,1,0|2,0,1]=4 706 B6R1.2 OC1=CC=NN1 23482 [0,0,0,0,1,0|2,0,0]=3 707 B6R1.2 OC1CC=CC1 29044 [0,0,0,0,1,0|0,0,3]=4 708 B6R1.2 ON1C=CC=N1 27109 [0,0,0,0,1,0|2,0,0]=3 709 B6R1.2 SC1=CC=CS1 7755 [0,0,0,0,1,0|1,1,0]=3 710 B6R1.2 SC1=NC=CO1 24604 [0,0,0,0,1,0|2,1,0]=4 711 B5R0.1 O=C(O)\C=C\Cl 35750 [1,0,1,0,0,0|2,0,0]=4 712 B5R0.1 O=C(O)\C=C\I 11671 [1,0,1,0,0,0|2,0,0]=4 713 B7R0.7 C=CCC(O)CC=C 13740 [0,1,1,0,0,0|0,0,2]=4 714 B7R0.4 C\C=C\C=C\C(=O)[O-] 26113 [0,1,1,0,0,0|1,0,1]=4 715 B7R0.6 O=C(O)\C=C\C(=O)O 21784 [0,1,1,0,0,0|2,0,0]=4 716 B7R1.1 BrCC1=CSC=C1 5295 [0,1,0,0,1,0|2,0,0]=4 717 B7R1.1 C#CC1=CC=CS1 16123 [0,1,0,0,1,0|2,0,0]=4 718 B7R1.1 C#CC1=CSC=C1 16122 [0,1,0,0,1,0|2,0,0]=4 719 B7R1.1 CCC1=CC=CS1 5536 [0,1,0,0,1,0|2,0,0]=4 720 B7R1.1 CCN1C=CC=C1 35829 [0,1,0,0,1,0|2,0,0]=4 721 B7R1.1 COC1=CC=CO1 19998 [0,1,0,0,1,0|1,0,0]=3 722 B7R1.1 COC1=CC=CS1 12545 [0,1,0,0,1,0|1,0,0]=3 723 B7R1.1 COC1=CSC=C1 8863 [0,1,0,0,1,0|1,0,0]=3 724 B7R1.1 N#CC1=CC=CO1 6961 [0,1,0,0,1,0|2,0,0]=4 725 B7R1.1 N#CC1=CC=CS1 5215 [0,1,0,0,1,0|2,0,0]=4 726 B7R1.1 N#CC1=CNC=C1 9143 [0,1,0,0,1,0|2,0,0]=4 727 B7R1.1 N#CC1=CSC=C1 12351 [0,1,0,0,1,0|2,0,0]=4 728 B7R1.1 N#CC1=CSC=C1 5508 [0,1,0,0,1,0|2,0,0]=4 729 B7R1.1 NCC1=CC=CO1 6967 [0,1,0,0,1,0|2,0,0]=4 730 B7R1.1 NCC1=CC=CS1 22278 [0,1,0,0,1,0|2,0,0]=4 731 B7R1.1 NCC1=CC=CS1 5606 [0,1,0,0,1,0|2,0,0]=4 732 B7R1.1 NCC1=CSC=C1 12348 [0,1,0,0,1,0|2,0,0]=4 733 B7R1.1 O=CC1=CC=CN1 28928 [0,1,0,0,1,0|1,0,1]=4 734 B7R1.1 O=CC1=CC=CN1 9140 [0,1,0,0,1,0|1,0,1]=4 735 B7R1.1 O=CC1=CC=CO1 24739 [0,1,0,0,1,0|1,0,1]=4 736 B7R1.1 O=CC1=CC=CS1 5153 [0,1,0,0,1,0|1,0,1]=4 737 B7R1.1 O=CC1=CNC=C1 18051 [0,1,0,0,1,0|1,0,1]=4 738 B7R1.1 O=CC1=COC=C1 6948 [0,1,0,0,1,0|1,0,1]=4 739 B7R1.1 O=CC1=CSC=C1 5176 [0,1,0,0,1,0|1,0,1]=4 740 B7R1.1 O=C[C-]1C=CC=C1 18830 [0,1,0,0,1,0|0,0,2]=4 741 B7R1.1 OCC1=CC=CO1 19996 [0,1,0,0,1,0|1,0,0]=3 742 B7R1.1 OCC1=CC=CS1 5603 [0,1,0,0,1,0|1,0,0]=3 743 B7R1.1 OCC1=CC=NO1 24993 [0,1,0,0,1,0|2,0,0]=4 744 B7R1.1 OCC1=CN=CS1 10259 [0,1,0,0,1,0|2,0,0]=4 745 B7R1.1 OCC1=CN=CS1 20003 [0,1,0,0,1,0|2,0,0]=4 746 B7R1.1 OCC1=CNC=N1 9502 [0,1,0,0,1,0|2,0,0]=4 747 B7R1.1 OCC1=CNN=C1 23620 [0,1,0,0,1,0|2,0,0]=4 748 B7R1.1 OCC1=COC=C1 6951 [0,1,0,0,1,0|1,0,0]=3 749 B7R1.1 OCC1=CSC=C1 8860 [0,1,0,0,1,0|1,0,0]=3 750 B7R1.1 OCC1=NC=CS1 10257 [0,1,0,0,1,0|2,0,0]=4 751 B7R1.1 OCC1=NNC=C1 14333 [0,1,0,0,1,0|2,0,0]=4 752 B7R1.1 OCC1=NOC=C1 24952 [0,1,0,0,1,0|2,0,0]=4 753 B7R1.1 OCN1C=CC=N1 7853 [0,1,0,0,1,0|2,0,0]=4 754 B7R1.1 OCN1C=CN=C1 8052 [0,1,0,0,1,0|2,0,0]=4 755 B7R1.1 SCC1=CC=CO1 10566 [0,1,0,0,1,0|1,1,0]=4 756 B7R1.2 BrC1=CC=C(Br)O1 20252 [0,1,0,0,1,0|2,0,0]=4 757 B7R1.2 BrC1=CC=C(Br)S1 5512 [0,1,0,0,1,0|2,0,0]=4 758 B7R1.2 BrC1=COC(Br)=C1 15732 [0,1,0,0,1,0|2,0,0]=4 759 B7R1.2 BrC1=CSC(Br)=C1 1908 [0,1,0,0,1,0|2,0,0]=4 760 B7R1.2 CC1=CC(Br)=CS1 5261 [0,1,0,0,1,0|2,0,0]=4 761 B7R1.2 CC1=CC(O)=NO1 8647 [0,1,0,0,1,0|2,0,0]=4 762 B7R1.2 CC1=CC=C(Br)O1 36047 [0,1,0,0,1,0|2,0,0]=4 763 B7R1.2 CC1=CC=C(Br)S1 5193 [0,1,0,0,1,0|2,0,0]=4 764 B7R1.2 CC1=CC=C(C)S1 5194 [0,1,0,0,1,0|2,0,0]=4 765 B7R1.2 CC1=CC=C(Cl)S1 5197 [0,1,0,0,1,0|2,0,0]=4 766 B7R1.2 CC1=CC=C(I)S1 7417 [0,1,0,0,1,0|2,0,0]=4 767 B7R1.2 CC1=CC=C(O)O1 22254 [0,1,0,0,1,0|1,0,0]=3 768 B7R1.2 CC1=CNC(C)=C1 24003 [0,1,0,0,1,0|2,0,0]=4 769 B7R1.2 CC1=COC(O)=C1 22255 [0,1,0,0,1,0|1,0,0]=3 770 B7R1.2 ClC1=CC=C(Br)S1 5279 [0,1,0,0,1,0|2,0,0]=4 771 B7R1.2 ClC1=CC=C(Cl)S1 5521 [0,1,0,0,1,0|2,0,0]=4 772 B7R1.2 ClC1=CC=C(I)S1 34437 [0,1,0,0,1,0|2,0,0]=4 773 B7R1.2 IC1=CC=C(I)S1 5529 [0,1,0,0,1,0|2,0,0]=4 774 B7R1.2 NC1=NNC(O)=C1 11239 [0,1,0,0,1,0|2,0,0]=4 775 B7R1.2 NC1=NNC(O)=C1 16906 [0,1,0,0,1,0|2,0,0]=4 776 B7R1.2 O=C1C=C(O)CO1 21770 [0,1,0,0,1,0|1,0,1]=4 777 B7R1.2 O=C1C=CC(=O)O1 16845 [0,1,0,0,1,0|1,0,1]=4 778 B7R1.2 O=C1C=CC(O)C1 27265 [0,1,0,0,1,0|0,0,2]=4 779 B7R1.2 O=C1C=CC(O)O1 25366 [0,1,0,0,1,0|1,0,1]=4 780 B7R1.2 OC1=CC=C(O)O1 22253 [0,1,0,0,1,0|1,0,0]=3 781 B7R1.4 BrC1=C(Br)SC=C1 5511 [0,1,0,0,1,0|2,0,0]=4 782 B7R1.4 BrC1=COC=C1Br 22666 [0,1,0,0,1,0|2,0,0]=4 783 B7R1.4 BrC1=CSC=C1Br 5510 [0,1,0,0,1,0|2,0,0]=4 784 B7R1.4 BrC1=CSC=C1I 34836 [0,1,0,0,1,0|2,0,0]=4 785 B7R1.4 CC1=C(Br)SC=C1 5191 [0,1,0,0,1,0|2,0,0]=4 786 B7R1.4 CC1=C(C)SC=C1 7751 [0,1,0,0,1,0|2,0,0]=4 787 B7R1.4 CC1=C(Cl)SC=C1 5164 [0,1,0,0,1,0|2,0,0]=4 788 B7R1.4 CC1=C(S)C=CO1 7060 [0,1,0,0,1,0|1,1,0]=4 789 B7R1.4 CC1=C(S)C=CO1 9968 [0,1,0,0,1,0|1,1,0]=4 790 B7R1.4 CC1=COC=C1C 15014 [0,1,0,0,1,0|2,0,0]=4 791 B7R1.4 CC1=CSC=C1Br 21832 [0,1,0,0,1,0|2,0,0]=4 792 B7R1.4 ClC1=C(Br)C=CS1 5259 [0,1,0,0,1,0|2,0,0]=4 793 B7R1.4 ClC1=C(Br)SC=C1 33539 [0,1,0,0,1,0|2,0,0]=4 794 B7R1.4 ClC1=C(Cl)SC=C1 15351 [0,1,0,0,1,0|2,0,0]=4 795 B7R1.4 FC1=CSC=C1F 35628 [0,1,0,0,1,0|2,0,0]=4 796 B7R1.4 NC1=CSC=C1N 18368 [0,1,0,0,1,0|2,0,0]=4 797 B7R1.4 NC1=CSC=C1N 21822 [0,1,0,0,1,0|2,0,0]=4 798 B7R1.4 OC1=C(O)OC=C1 22257 [0,1,0,0,1,0|1,0,0]=3 799 B9R1.5 O=C1C=CC=CC=C1O 6330 [0,1,0,0,0,1|0,0,0]=2 800 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [0,2,0,0,0,0|1,0,0]=3 801 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [0,2,0,0,0,0|1,0,0]=3 802 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [0,2,0,0,0,0|1,0,0]=3 803 B9R1.1 C#CC1=CC=C(F)C=C1 16719 [0,2,0,0,0,0|1,0,0]=3 804 B9R1.1 C#CC1=CC=C(I)C=C1 34237 [0,2,0,0,0,0|1,0,0]=3 805 B9R1.1 C#CC1=CC=C(N)C=C1 26130 [0,2,0,0,0,0|1,0,0]=3 806 B9R1.1 C#CC1=NC=C(Br)C=C1 1294 [0,2,0,0,0,0|2,0,0]=4 807 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [0,2,0,0,0,0|1,0,0]=3 808 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [0,2,0,0,0,0|1,0,0]=3 809 B9R1.1 C=CC1=CC=C(N)C=N1 26083 [0,2,0,0,0,0|2,0,0]=4 810 B9R1.1 C=CC1=CN=C(Br)C=C1 27635 [0,2,0,0,0,0|2,0,0]=4 811 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [0,2,0,0,0,0|2,0,0]=4 812 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [0,2,0,0,0,0|1,0,0]=3 813 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [0,2,0,0,0,0|0,0,1]=3 814 B9R1.1 CC1=CC=C(CN)C=C1 10199 [0,2,0,0,0,0|1,0,0]=3 815 B9R1.1 CC1=CC=C(CO)C=N1 27403 [0,2,0,0,0,0|1,0,0]=3 816 B9R1.1 CC1=CC=C(NN)C=C1 4500 [0,2,0,0,0,0|1,0,0]=3 817 B9R1.1 CC1=CN=C(C#N)C=C1 12978 [0,2,0,0,0,0|2,0,0]=4 818 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [0,2,0,0,0,0|1,0,1]=4 819 B9R1.1 CC1=NC=C(C#N)C=C1 6695 [0,2,0,0,0,0|2,0,0]=4 820 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [0,2,0,0,0,0|1,0,1]=4 821 B9R1.1 CC1=NC=C(NN)C=C1 19456 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.1 CC1=NC=C(NN)C=C1 26049 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [0,2,0,0,0,0|1,0,0]=3 824 B9R1.1 CCC1=CC=C(C)C=C1 21843 [0,2,0,0,0,0|1,0,0]=3 825 B9R1.1 CCC1=CC=C(I)C=C1 3877 [0,2,0,0,0,0|1,0,0]=3 826 B9R1.1 CCC1=CC=C(N)C=C1 26342 [0,2,0,0,0,0|1,0,0]=3 827 B9R1.1 CCC1=CC=C(O)C=C1 3874 [0,2,0,0,0,0|0,0,0]=2 828 B9R1.1 CCC1=CC=C(S)C=C1 6813 [0,2,0,0,0,0|0,1,0]=3 829 B9R1.1 CCC1=CN=C(C)C=C1 10482 [0,2,0,0,0,0|2,0,0]=4 830 B9R1.1 CCC1=CN=C(C)C=C1 18256 [0,2,0,0,0,0|2,0,0]=4 831 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [0,2,0,0,0,0|2,0,0]=4 832 B9R1.1 CCC1=NC=C(N)C=C1 25855 [0,2,0,0,0,0|2,0,0]=4 833 B9R1.1 CCc1ccc(F)cc1 22752 [0,2,0,0,0,0|1,0,0]=3 834 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [0,2,0,0,0,0|1,0,0]=3 835 B9R1.1 CNC1=CC=C(I)C=C1 28328 [0,2,0,0,0,0|1,0,0]=3 836 B9R1.1 CNC1=NC=C(Br)C=C1 22084 [0,2,0,0,0,0|2,0,0]=4 837 B9R1.1 COC1=CC=C(Br)C=C1 3726 [0,2,0,0,0,0|0,0,0]=2 838 B9R1.1 COC1=CC=C(C)N=C1 6640 [0,2,0,0,0,0|1,0,0]=3 839 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [0,2,0,0,0,0|0,0,0]=2 840 B9R1.1 COC1=CC=C(F)C=C1 3475 [0,2,0,0,0,0|0,0,0]=2 841 B9R1.1 COC1=CC=C(I)C=C1 3911 [0,2,0,0,0,0|0,0,0]=2 842 B9R1.1 COC1=CC=C(N)C=C1 21392 [0,2,0,0,0,0|0,0,0]=2 843 B9R1.1 COC1=CC=C(N)C=C1 36098 [0,2,0,0,0,0|0,0,0]=2 844 B9R1.1 COC1=CC=C(N)N=N1 9536 [0,2,0,0,0,0|2,0,0]=4 845 B9R1.1 COC1=CC=C(O)C=C1 14584 [0,2,0,0,0,0|0,0,0]=2 846 B9R1.1 COC1=CC=C(O)C=C1 2276 [0,2,0,0,0,0|0,0,0]=2 847 B9R1.1 COC1=CC=C(S)C=C1 6822 [0,2,0,0,0,0|0,0,0]=2 848 B9R1.1 COC1=CC=[N+]([O-])C=C1 2587 [0,2,0,0,0,0|1,0,0]=3 849 B9R1.1 COC1=CN=C(Br)C=C1 15210 [0,2,0,0,0,0|1,0,0]=3 850 B9R1.1 COC1=CN=C(Br)C=N1 27287 [0,2,0,0,0,0|2,0,0]=4 851 B9R1.1 COC1=CN=C(Br)N=C1 26980 [0,2,0,0,0,0|2,0,0]=4 852 B9R1.1 COC1=CN=C(Cl)C=C1 6222 [0,2,0,0,0,0|1,0,0]=3 853 B9R1.1 COC1=CN=C(Cl)C=N1 32145 [0,2,0,0,0,0|2,0,0]=4 854 B9R1.1 COC1=CN=C(Cl)N=C1 13187 [0,2,0,0,0,0|2,0,0]=4 855 B9R1.1 COC1=CN=C(F)C=C1 33665 [0,2,0,0,0,0|1,0,0]=3 856 B9R1.1 COC1=CN=C(N)C=C1 23280 [0,2,0,0,0,0|1,0,0]=3 857 B9R1.1 COC1=CN=C(N)C=N1 17505 [0,2,0,0,0,0|2,0,0]=4 858 B9R1.1 COC1=CN=C(N)N=C1 20801 [0,2,0,0,0,0|2,0,0]=4 859 B9R1.1 COC1=NC=C(Br)C=C1 2408 [0,2,0,0,0,0|1,0,0]=3 860 B9R1.1 COC1=NC=C(Br)C=N1 5264 [0,2,0,0,0,0|2,0,0]=4 861 B9R1.1 COC1=NC=C(C)C=C1 6609 [0,2,0,0,0,0|1,0,0]=3 862 B9R1.1 COC1=NC=C(Cl)C=C1 6602 [0,2,0,0,0,0|1,0,0]=3 863 B9R1.1 COC1=NC=C(F)C=C1 11248 [0,2,0,0,0,0|1,0,0]=3 864 B9R1.1 COC1=NC=C(I)C=C1 6606 [0,2,0,0,0,0|1,0,0]=3 865 B9R1.1 COC1=NC=C(N)C=C1 1270 [0,2,0,0,0,0|1,0,0]=3 866 B9R1.1 COC1=NC=C(O)C=C1 16171 [0,2,0,0,0,0|1,0,0]=3 867 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [0,2,0,0,0,0|0,1,0]=3 868 B9R1.1 CSC1=CC=C(C)C=C1 10672 [0,2,0,0,0,0|0,1,0]=3 869 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [0,2,0,0,0,0|0,1,0]=3 870 B9R1.1 CSC1=CC=C(F)C=C1 10641 [0,2,0,0,0,0|0,1,0]=3 871 B9R1.1 CSC1=CC=C(I)C=C1 10670 [0,2,0,0,0,0|0,1,0]=3 872 B9R1.1 CSC1=CC=C(N)C=C1 10636 [0,2,0,0,0,0|0,1,0]=3 873 B9R1.1 CSC1=CC=C(O)C=C1 15277 [0,2,0,0,0,0|0,0,0]=2 874 B9R1.1 CSC1=CC=C(S)C=C1 6825 [0,2,0,0,0,0|0,1,0]=3 875 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [0,2,0,0,0,0|1,0,0]=3 876 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 24069 [0,2,0,0,0,0|1,0,0]=3 877 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [0,2,0,0,0,0|1,0,0]=3 878 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [0,2,0,0,0,0|1,0,0]=3 879 B9R1.1 ClCC1=CN=C(Cl)C=C1 9210 [0,2,0,0,0,0|2,0,0]=4 880 B9R1.1 ClCC1=NC=C(Cl)C=C1 24106 [0,2,0,0,0,0|2,0,0]=4 881 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [0,2,0,0,0,0|1,0,0]=3 882 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [0,2,0,0,0,0|1,0,0]=3 883 B9R1.1 FC1=CC=C(CS)C=C1 6855 [0,2,0,0,0,0|0,1,0]=3 884 B9R1.1 N#CC1=CC=C(Br)C=C1 3745 [0,2,0,0,0,0|1,0,0]=3 885 B9R1.1 N#CC1=CC=C(Cl)C=C1 20405 [0,2,0,0,0,0|1,0,0]=3 886 B9R1.1 N#CC1=CC=C(F)C=C1 1585 [0,2,0,0,0,0|1,0,0]=3 887 B9R1.1 N#CC1=CC=C(I)C=C1 3936 [0,2,0,0,0,0|1,0,0]=3 888 B9R1.1 N#CC1=CC=C(N)C=C1 15683 [0,2,0,0,0,0|1,0,0]=3 889 B9R1.1 N#CC1=CC=[N+]([O-])C=C1 12408 [0,2,0,0,0,0|1,0,1]=4 890 B9R1.1 N#CC1=CN=C(Br)C=C1 5963 [0,2,0,0,0,0|2,0,0]=4 891 B9R1.1 N#CC1=CN=C(Cl)C=C1 1224 [0,2,0,0,0,0|2,0,0]=4 892 B9R1.1 N#CC1=CN=C(F)C=C1 19505 [0,2,0,0,0,0|2,0,0]=4 893 B9R1.1 N#CC1=CN=C(N)C=C1 31629 [0,2,0,0,0,0|2,0,0]=4 894 B9R1.1 N#CC1=CN=C(N)C=C1 5752 [0,2,0,0,0,0|2,0,0]=4 895 B9R1.1 N#CC1=CN=C(O)C=C1 18529 [0,2,0,0,0,0|1,0,0]=3 896 B9R1.1 N#CC1=NC=C(Br)C=C1 2108 [0,2,0,0,0,0|2,0,0]=4 897 B9R1.1 N#CC1=NC=C(Cl)C=C1 2107 [0,2,0,0,0,0|2,0,0]=4 898 B9R1.1 N#CC1=NC=C(F)C=C1 16479 [0,2,0,0,0,0|2,0,0]=4 899 B9R1.1 N#CC1=NC=C(N)C=C1 6228 [0,2,0,0,0,0|2,0,0]=4 900 B9R1.1 N#CC1=NC=C(O)C=C1 17605 [0,2,0,0,0,0|1,0,0]=3 901 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [0,2,0,0,0,0|0,0,1]=3 902 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [0,2,0,0,0,0|1,0,0]=3 903 B9R1.1 NC1=CC=C(CO)C=C1 7480 [0,2,0,0,0,0|0,0,0]=2 904 B9R1.1 NC1=CC=C(CO)C=N1 18913 [0,2,0,0,0,0|1,0,0]=3 905 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [0,2,0,0,0,0|1,0,0]=3 906 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [0,2,0,0,0,0|1,0,0]=3 907 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [0,2,0,0,0,0|1,0,0]=3 908 B9R1.1 NCC1=CC=C(Cl)N=C1 24215 [0,2,0,0,0,0|2,0,0]=4 909 B9R1.1 NCC1=CC=C(F)C=C1 3408 [0,2,0,0,0,0|1,0,0]=3 910 B9R1.1 NCC1=CC=C(F)C=C1 4420 [0,2,0,0,0,0|1,0,0]=3 911 B9R1.1 NCC1=CC=C(I)C=C1 3304 [0,2,0,0,0,0|1,0,0]=3 912 B9R1.1 NCC1=CC=C(N)C=C1 5803 [0,2,0,0,0,0|1,0,0]=3 913 B9R1.1 NCC1=CC=C(O)C=C1 26036 [0,2,0,0,0,0|0,0,0]=2 914 B9R1.1 NCC1=CN=C(Cl)C=C1 1255 [0,2,0,0,0,0|2,0,0]=4 915 B9R1.1 NCC1=CN=C(Cl)C=C1 15212 [0,2,0,0,0,0|2,0,0]=4 916 B9R1.1 NCC1=CNC(=O)C=C1 19427 [0,2,0,0,0,0|1,0,1]=4 917 B9R1.1 NCC1=NC=C(Br)C=C1 29009 [0,2,0,0,0,0|2,0,0]=4 918 B9R1.1 NNC1=CC=C(Br)C=C1 21916 [0,2,0,0,0,0|1,0,0]=3 919 B9R1.1 NNC1=CC=C(Br)C=C1 6409 [0,2,0,0,0,0|1,0,0]=3 920 B9R1.1 NNC1=CC=C(Cl)C=C1 23899 [0,2,0,0,0,0|1,0,0]=3 921 B9R1.1 NNC1=CC=C(Cl)C=C1 4483 [0,2,0,0,0,0|1,0,0]=3 922 B9R1.1 NNC1=CC=C(F)C=C1 15913 [0,2,0,0,0,0|1,0,0]=3 923 B9R1.1 NNC1=CC=C(F)C=C1 3330 [0,2,0,0,0,0|1,0,0]=3 924 B9R1.1 NNC1=CC=C(I)C=C1 15797 [0,2,0,0,0,0|1,0,0]=3 925 B9R1.1 NNC1=CN=C(Cl)C=C1 16449 [0,2,0,0,0,0|2,0,0]=4 926 B9R1.1 NNC1=CN=C(Cl)C=C1 20865 [0,2,0,0,0,0|2,0,0]=4 927 B9R1.1 NNC1=NC=C(Br)C=C1 18793 [0,2,0,0,0,0|2,0,0]=4 928 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [0,2,0,0,0,0|0,0,1]=3 929 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [0,2,0,0,0,0|0,0,1]=3 930 B9R1.1 O=CC1=CC=C(Cl)N=C1 23354 [0,2,0,0,0,0|1,0,1]=4 931 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [0,2,0,0,0,0|0,0,1]=3 932 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [0,2,0,0,0,0|0,0,1]=3 933 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [0,2,0,0,0,0|0,0,0]=2 934 B9R1.1 O=CC1=CN=C(Br)C=C1 1181 [0,2,0,0,0,0|1,0,1]=4 935 B9R1.1 O=CC1=CN=C(Cl)C=C1 9221 [0,2,0,0,0,0|1,0,1]=4 936 B9R1.1 O=CC1=CN=C(F)C=C1 5150 [0,2,0,0,0,0|1,0,1]=4 937 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [0,2,0,0,0,0|1,0,0]=3 938 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [0,2,0,0,0,0|1,0,1]=4 939 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [0,2,0,0,0,0|1,0,1]=4 940 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [0,2,0,0,0,0|1,0,1]=4 941 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [0,2,0,0,0,0|1,0,0]=3 942 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [0,2,0,0,0,0|0,0,0]=2 943 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [0,2,0,0,0,0|0,0,0]=2 944 B9R1.1 OCC1=CC=C(F)C=C1 3487 [0,2,0,0,0,0|0,0,0]=2 945 B9R1.1 OCC1=CC=C(F)N=C1 17062 [0,2,0,0,0,0|1,0,0]=3 946 B9R1.1 OCC1=CC=C(I)C=C1 4081 [0,2,0,0,0,0|0,0,0]=2 947 B9R1.1 OCC1=CC=C(O)C=C1 29320 [0,2,0,0,0,0|0,0,0]=2 948 B9R1.1 OCC1=CC=C(S)C=C1 6879 [0,2,0,0,0,0|0,0,0]=2 949 B9R1.1 OCC1=CN=C(Cl)C=C1 12920 [0,2,0,0,0,0|1,0,0]=3 950 B9R1.1 OCC1=NC=C(Br)C=C1 12387 [0,2,0,0,0,0|1,0,0]=3 951 B9R1.1 OCC1=NC=C(Br)C=C1 14780 [0,2,0,0,0,0|1,0,0]=3 952 B9R1.1 OCC1=NC=C(Br)C=C1 7710 [0,2,0,0,0,0|1,0,0]=3 953 B9R1.1 OCC1=NC=C(Cl)N=C1 23492 [0,2,0,0,0,0|2,0,0]=4 954 B9R1.1 SCC1=CC=C(Br)C=C1 6868 [0,2,0,0,0,0|0,1,0]=3 955 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [0,2,0,0,0,0|0,1,0]=3 956 B9R1.2 BrCC1=CC(Br)=CC=C1 3029 [0,2,0,0,0,0|1,0,0]=3 957 B9R1.2 BrCC1=CC(I)=CC=C1 28805 [0,2,0,0,0,0|1,0,0]=3 958 B9R1.2 C#CC1=CC(F)=CC=C1 12891 [0,2,0,0,0,0|1,0,0]=3 959 B9R1.2 C#CC1=CC(N)=CC=C1 30297 [0,2,0,0,0,0|1,0,0]=3 960 B9R1.2 C#CC1=CC(N)=CC=C1 4052 [0,2,0,0,0,0|1,0,0]=3 961 B9R1.2 C#CC1=CC=CC(Br)=C1 19784 [0,2,0,0,0,0|1,0,0]=3 962 B9R1.2 C#CC1=CC=CC(Cl)=C1 14083 [0,2,0,0,0,0|1,0,0]=3 963 B9R1.2 C=CC1=CC(Br)=CC=C1 23859 [0,2,0,0,0,0|1,0,0]=3 964 B9R1.2 C=CC1=CC=CC(C)=N1 25969 [0,2,0,0,0,0|2,0,0]=4 965 B9R1.2 CC1=CC(C#N)=NC=C1 21387 [0,2,0,0,0,0|2,0,0]=4 966 B9R1.2 CC1=CC(C=O)=CC=C1 15513 [0,2,0,0,0,0|0,0,1]=3 967 B9R1.2 CC1=CC(C=O)=NC=C1 17166 [0,2,0,0,0,0|1,0,1]=4 968 B9R1.2 CC1=CC=CC(C#N)=N1 16781 [0,2,0,0,0,0|2,0,0]=4 969 B9R1.2 CC1=CC=CC(C=O)=N1 15904 [0,2,0,0,0,0|1,0,1]=4 970 B9R1.2 CC1=CC=CC(CBr)=N1 22577 [0,2,0,0,0,0|2,0,0]=4 971 B9R1.2 CC1=CC=CC(CCl)=N1 22531 [0,2,0,0,0,0|2,0,0]=4 972 B9R1.2 CC1=CC=CC(CCl)=N1 22536 [0,2,0,0,0,0|2,0,0]=4 973 B9R1.2 CC1=CC=CC(CF)=C1 28809 [0,2,0,0,0,0|1,0,0]=3 974 B9R1.2 CC1=CC=CC(CN)=C1 10198 [0,2,0,0,0,0|1,0,0]=3 975 B9R1.2 CC1=CC=CC(CN)=N1 19465 [0,2,0,0,0,0|2,0,0]=4 976 B9R1.2 CC1=CC=CC(CO)=N1 20959 [0,2,0,0,0,0|1,0,0]=3 977 B9R1.2 CC1=CC=CC(NN)=C1 6397 [0,2,0,0,0,0|1,0,0]=3 978 B9R1.2 CC1=CN=CC(CO)=C1 22640 [0,2,0,0,0,0|1,0,0]=3 979 B9R1.2 CC1=NC=CC(C#N)=C1 26215 [0,2,0,0,0,0|2,0,0]=4 980 B9R1.2 CC1=NC=CC(CN)=C1 34737 [0,2,0,0,0,0|2,0,0]=4 981 B9R1.2 CCC1=CC(N)=NC=C1 7108 [0,2,0,0,0,0|2,0,0]=4 982 B9R1.2 CCC1=CC(O)=NC=N1 23619 [0,2,0,0,0,0|2,0,0]=4 983 B9R1.2 CCC1=CC=CC(Br)=C1 3771 [0,2,0,0,0,0|1,0,0]=3 984 B9R1.2 CCC1=CC=CC(N)=C1 13534 [0,2,0,0,0,0|1,0,0]=3 985 B9R1.2 CCC1=CC=CC(O)=C1 10772 [0,2,0,0,0,0|0,0,0]=2 986 B9R1.2 CCC1=NC=CC(Br)=C1 22128 [0,2,0,0,0,0|2,0,0]=4 987 B9R1.2 CNC1=CC(Br)=CN=C1 34590 [0,2,0,0,0,0|2,0,0]=4 988 B9R1.2 CNC1=CC(Br)=NC=C1 33713 [0,2,0,0,0,0|2,0,0]=4 989 B9R1.2 CNC1=CC(Cl)=CC=C1 9202 [0,2,0,0,0,0|1,0,0]=3 990 B9R1.2 CNC1=CC(F)=CC=C1 24835 [0,2,0,0,0,0|1,0,0]=3 991 B9R1.2 CNC1=CC=CC(O)=C1 27611 [0,2,0,0,0,0|0,0,0]=2 992 B9R1.2 CNC1=NC=CC(Br)=C1 32483 [0,2,0,0,0,0|2,0,0]=4 993 B9R1.2 COC1=CC(Br)=CC=C1 13575 [0,2,0,0,0,0|0,0,0]=2 994 B9R1.2 COC1=CC(Br)=NC=C1 5957 [0,2,0,0,0,0|1,0,0]=3 995 B9R1.2 COC1=CC(Br)=NC=N1 28084 [0,2,0,0,0,0|2,0,0]=4 996 B9R1.2 COC1=CC(Cl)=CC=C1 3615 [0,2,0,0,0,0|0,0,0]=2 997 B9R1.2 COC1=CC(Cl)=NC=C1 6204 [0,2,0,0,0,0|1,0,0]=3 998 B9R1.2 COC1=CC(Cl)=NC=N1 7038 [0,2,0,0,0,0|2,0,0]=4 999 B9R1.2 COC1=CC(F)=CC=C1 3474 [0,2,0,0,0,0|0,0,0]=2 1000 B9R1.2 COC1=CC(F)=NC=C1 34821 [0,2,0,0,0,0|1,0,0]=3 1001 B9R1.2 COC1=CC(I)=CC=C1 3904 [0,2,0,0,0,0|0,0,0]=2 1002 B9R1.2 COC1=CC(I)=NC=N1 28085 [0,2,0,0,0,0|2,0,0]=4 1003 B9R1.2 COC1=CC(N)=NC=C1 16566 [0,2,0,0,0,0|1,0,0]=3 1004 B9R1.2 COC1=CC(N)=NC=C1 5700 [0,2,0,0,0,0|1,0,0]=3 1005 B9R1.2 COC1=CC(N)=NC=N1 2605 [0,2,0,0,0,0|2,0,0]=4 1006 B9R1.2 COC1=CC(O)=CC=C1 13577 [0,2,0,0,0,0|0,0,0]=2 1007 B9R1.2 COC1=CC=CC(Br)=N1 9206 [0,2,0,0,0,0|1,0,0]=3 1008 B9R1.2 COC1=CC=CC(Cl)=N1 13194 [0,2,0,0,0,0|1,0,0]=3 1009 B9R1.2 COC1=CC=CC(I)=N1 9288 [0,2,0,0,0,0|1,0,0]=3 1010 B9R1.2 COC1=CC=CC(N)=C1 8374 [0,2,0,0,0,0|0,0,0]=2 1011 B9R1.2 COC1=CC=CC(N)=N1 12919 [0,2,0,0,0,0|1,0,0]=3 1012 B9R1.2 COC1=CC=CC(S)=C1 6817 [0,2,0,0,0,0|0,0,0]=2 1013 B9R1.2 COC1=CN=CC(Br)=C1 5085 [0,2,0,0,0,0|1,0,0]=3 1014 B9R1.2 COC1=CN=CC(Cl)=N1 32164 [0,2,0,0,0,0|2,0,0]=4 1015 B9R1.2 COC1=CN=CC(I)=C1 16704 [0,2,0,0,0,0|1,0,0]=3 1016 B9R1.2 COC1=CN=CC(N)=C1 22353 [0,2,0,0,0,0|1,0,0]=3 1017 B9R1.2 COC1=CN=CC(N)=N1 17504 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.2 COC1=CN=CC(O)=C1 27157 [0,2,0,0,0,0|1,0,0]=3 1019 B9R1.2 COC1=CN=NC(O)=C1 28201 [0,2,0,0,0,0|2,0,0]=4 1020 B9R1.2 COC1=NC(Br)=NC=C1 28086 [0,2,0,0,0,0|2,0,0]=4 1021 B9R1.2 COC1=NC(C)=NC=C1 19887 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.2 COC1=NC(N)=NC=C1 21995 [0,2,0,0,0,0|2,0,0]=4 1023 B9R1.2 COC1=NC=CC(Br)=C1 6657 [0,2,0,0,0,0|1,0,0]=3 1024 B9R1.2 COC1=NC=CC(Br)=N1 33686 [0,2,0,0,0,0|2,0,0]=4 1025 B9R1.2 COC1=NC=CC(C)=C1 6598 [0,2,0,0,0,0|1,0,0]=3 1026 B9R1.2 COC1=NC=CC(Cl)=C1 15650 [0,2,0,0,0,0|1,0,0]=3 1027 B9R1.2 COC1=NC=CC(Cl)=C1 6663 [0,2,0,0,0,0|1,0,0]=3 1028 B9R1.2 COC1=NC=CC(Cl)=N1 23206 [0,2,0,0,0,0|2,0,0]=4 1029 B9R1.2 COC1=NC=CC(F)=C1 6596 [0,2,0,0,0,0|1,0,0]=3 1030 B9R1.2 COC1=NC=CC(I)=C1 17128 [0,2,0,0,0,0|1,0,0]=3 1031 B9R1.2 COC1=NC=CC(N)=C1 32235 [0,2,0,0,0,0|1,0,0]=3 1032 B9R1.2 COC1=NC=CC(N)=C1 6595 [0,2,0,0,0,0|1,0,0]=3 1033 B9R1.2 COC1=NC=CC(N)=N1 28087 [0,2,0,0,0,0|2,0,0]=4 1034 B9R1.2 COC1=NC=CC(O)=C1 35149 [0,2,0,0,0,0|1,0,0]=3 1035 B9R1.2 CSC1=CC(Br)=CC=C1 10649 [0,2,0,0,0,0|0,1,0]=3 1036 B9R1.2 CSC1=CC(C)=CC=C1 10793 [0,2,0,0,0,0|0,1,0]=3 1037 B9R1.2 CSC1=CC(Cl)=CC=C1 10644 [0,2,0,0,0,0|0,1,0]=3 1038 B9R1.2 CSC1=CC(F)=CC=C1 10640 [0,2,0,0,0,0|0,1,0]=3 1039 B9R1.2 CSC1=CC(I)=CC=C1 10669 [0,2,0,0,0,0|0,1,0]=3 1040 B9R1.2 CSC1=CC(N)=CC=C1 10635 [0,2,0,0,0,0|0,1,0]=3 1041 B9R1.2 CSC1=CC=CC(Br)=N1 27610 [0,2,0,0,0,0|1,1,0]=4 1042 B9R1.2 CSC1=NC=CC(O)=N1 21487 [0,2,0,0,0,0|2,0,0]=4 1043 B9R1.2 ClC1=CC=CC(CBr)=C1 10765 [0,2,0,0,0,0|1,0,0]=3 1044 B9R1.2 ClCC1=CC(Br)=CC=C1 23319 [0,2,0,0,0,0|1,0,0]=3 1045 B9R1.2 ClCC1=CC(Cl)=CC=C1 7520 [0,2,0,0,0,0|1,0,0]=3 1046 B9R1.2 ClCC1=CC(I)=CC=C1 31286 [0,2,0,0,0,0|1,0,0]=3 1047 B9R1.2 ClCC1=CC(I)=CN=C1 27044 [0,2,0,0,0,0|2,0,0]=4 1048 B9R1.2 ClCC1=CN=CC(Br)=C1 26331 [0,2,0,0,0,0|2,0,0]=4 1049 B9R1.2 FC1=CC=CC(CBr)=C1 10214 [0,2,0,0,0,0|1,0,0]=3 1050 B9R1.2 FC1=CC=CC(CCl)=C1 7516 [0,2,0,0,0,0|1,0,0]=3 1051 B9R1.2 N#CC1=CC(Br)=CC=C1 1584 [0,2,0,0,0,0|1,0,0]=3 1052 B9R1.2 N#CC1=CC(Br)=NC=C1 14366 [0,2,0,0,0,0|2,0,0]=4 1053 B9R1.2 N#CC1=CC(Cl)=CC=C1 3624 [0,2,0,0,0,0|1,0,0]=3 1054 B9R1.2 N#CC1=CC(Cl)=CN=C1 14369 [0,2,0,0,0,0|2,0,0]=4 1055 B9R1.2 N#CC1=CC(Cl)=NC=C1 2582 [0,2,0,0,0,0|2,0,0]=4 1056 B9R1.2 N#CC1=CC(F)=CC=C1 1579 [0,2,0,0,0,0|1,0,0]=3 1057 B9R1.2 N#CC1=CC(F)=NC=C1 29098 [0,2,0,0,0,0|2,0,0]=4 1058 B9R1.2 N#CC1=CC(I)=CC=C1 3935 [0,2,0,0,0,0|1,0,0]=3 1059 B9R1.2 N#CC1=CC(N)=NC=C1 7664 [0,2,0,0,0,0|2,0,0]=4 1060 B9R1.2 N#CC1=CC(O)=CC=C1 13113 [0,2,0,0,0,0|0,0,0]=2 1061 B9R1.2 N#CC1=CC(O)=CN=C1 17727 [0,2,0,0,0,0|1,0,0]=3 1062 B9R1.2 N#CC1=CC(O)=CN=C1 18350 [0,2,0,0,0,0|1,0,0]=3 1063 B9R1.2 N#CC1=CC=CC(Cl)=N1 2163 [0,2,0,0,0,0|2,0,0]=4 1064 B9R1.2 N#CC1=CC=CC(N)=N1 44709 [0,2,0,0,0,0|2,0,0]=4 1065 B9R1.2 N#CC1=CC=CC(S)=C1 26190 [0,2,0,0,0,0|0,1,0]=3 1066 B9R1.2 N#CC1=CN=CC(Br)=C1 7702 [0,2,0,0,0,0|2,0,0]=4 1067 B9R1.2 N#CC1=CN=CC(F)=C1 32489 [0,2,0,0,0,0|2,0,0]=4 1068 B9R1.2 N#CC1=CN=CC(N)=C1 21874 [0,2,0,0,0,0|2,0,0]=4 1069 B9R1.2 N#CC1=NC(Br)=CC=C1 14367 [0,2,0,0,0,0|2,0,0]=4 1070 B9R1.2 N#CC1=NC(F)=CC=C1 4017 [0,2,0,0,0,0|2,0,0]=4 1071 B9R1.2 N#CC1=NC=CC(Br)=C1 23829 [0,2,0,0,0,0|2,0,0]=4 1072 B9R1.2 N#CC1=NC=CC(Cl)=C1 13193 [0,2,0,0,0,0|2,0,0]=4 1073 B9R1.2 N#CC1=NC=CC(N)=C1 23209 [0,2,0,0,0,0|2,0,0]=4 1074 B9R1.2 N#CC1=NC=CC(O)=C1 34371 [0,2,0,0,0,0|1,0,0]=3 1075 B9R1.2 NC1=CC=CC(CO)=C1 13383 [0,2,0,0,0,0|0,0,0]=2 1076 B9R1.2 NC1=NC=CC(CCl)=C1 22291 [0,2,0,0,0,0|2,0,0]=4 1077 B9R1.2 NC1=NC=CC(CO)=C1 7690 [0,2,0,0,0,0|1,0,0]=3 1078 B9R1.2 NCC1=CC(Br)=CC=C1 21109 [0,2,0,0,0,0|1,0,0]=3 1079 B9R1.2 NCC1=CC(Br)=CC=C1 3750 [0,2,0,0,0,0|1,0,0]=3 1080 B9R1.2 NCC1=CC(F)=CC=C1 4417 [0,2,0,0,0,0|1,0,0]=3 1081 B9R1.2 NCC1=CC(F)=NC=C1 34830 [0,2,0,0,0,0|2,0,0]=4 1082 B9R1.2 NCC1=CC(I)=CC=C1 3302 [0,2,0,0,0,0|1,0,0]=3 1083 B9R1.2 NCC1=CC(N)=CC=C1 5802 [0,2,0,0,0,0|1,0,0]=3 1084 B9R1.2 NCC1=CC(N)=NC=C1 18667 [0,2,0,0,0,0|2,0,0]=4 1085 B9R1.2 NCC1=NC=CC(Br)=C1 35197 [0,2,0,0,0,0|2,0,0]=4 1086 B9R1.2 NNC1=CC(Br)=CC=C1 23212 [0,2,0,0,0,0|1,0,0]=3 1087 B9R1.2 NNC1=CC(Cl)=CC=C1 7529 [0,2,0,0,0,0|1,0,0]=3 1088 B9R1.2 NNC1=CC(Cl)=NC=C1 19455 [0,2,0,0,0,0|2,0,0]=4 1089 B9R1.2 NNC1=CC(F)=CC=C1 3341 [0,2,0,0,0,0|1,0,0]=3 1090 B9R1.2 NNC1=CC=CC(Br)=N1 12987 [0,2,0,0,0,0|2,0,0]=4 1091 B9R1.2 NNC1=CC=CC(Cl)=N1 12983 [0,2,0,0,0,0|2,0,0]=4 1092 B9R1.2 O=CC1=CC(Br)=CC=C1 3728 [0,2,0,0,0,0|0,0,1]=3 1093 B9R1.2 O=CC1=CC(Br)=CN=C1 7706 [0,2,0,0,0,0|1,0,1]=4 1094 B9R1.2 O=CC1=CC(Br)=NC=C1 5075 [0,2,0,0,0,0|1,0,1]=4 1095 B9R1.2 O=CC1=CC(Cl)=CC=C1 10800 [0,2,0,0,0,0|0,0,1]=3 1096 B9R1.2 O=CC1=CC(Cl)=NC=C1 5099 [0,2,0,0,0,0|1,0,1]=4 1097 B9R1.2 O=CC1=CC(F)=CC=C1 3477 [0,2,0,0,0,0|0,0,1]=3 1098 B9R1.2 O=CC1=CC(F)=NC=C1 17094 [0,2,0,0,0,0|1,0,1]=4 1099 B9R1.2 O=CC1=CC(I)=CC=C1 3917 [0,2,0,0,0,0|0,0,1]=3 1100 B9R1.2 O=CC1=CC(O)=CC=C1 7767 [0,2,0,0,0,0|0,0,0]=2 1101 B9R1.2 O=CC1=CC(O)=CN=C1 23673 [0,2,0,0,0,0|1,0,0]=3 1102 B9R1.2 O=CC1=CC(O)=NC=C1 9345 [0,2,0,0,0,0|1,0,0]=3 1103 B9R1.2 O=CC1=CC=CC(F)=N1 15245 [0,2,0,0,0,0|1,0,1]=4 1104 B9R1.2 O=CC1=CN=CC(Br)=C1 16604 [0,2,0,0,0,0|1,0,1]=4 1105 B9R1.2 O=CC1=CN=CC(Cl)=C1 16702 [0,2,0,0,0,0|1,0,1]=4 1106 B9R1.2 O=CC1=CN=CC(F)=C1 5151 [0,2,0,0,0,0|1,0,1]=4 1107 B9R1.2 O=CC1=CN=CC(I)=C1 16653 [0,2,0,0,0,0|1,0,1]=4 1108 B9R1.2 O=CC1=NC(Br)=CC=C1 3196 [0,2,0,0,0,0|1,0,1]=4 1109 B9R1.2 O=CC1=NC(Br)=CC=C1 9209 [0,2,0,0,0,0|1,0,1]=4 1110 B9R1.2 O=CC1=NC(Cl)=CC=C1 13323 [0,2,0,0,0,0|1,0,1]=4 1111 B9R1.2 O=CC1=NC=CC(Cl)=C1 24779 [0,2,0,0,0,0|1,0,1]=4 1112 B9R1.2 OC1=NC(CCl)=NC=C1 21030 [0,2,0,0,0,0|2,0,0]=4 1113 B9R1.2 OCC1=CC(Br)=CC=C1 3747 [0,2,0,0,0,0|0,0,0]=2 1114 B9R1.2 OCC1=CC(Br)=CN=C1 22108 [0,2,0,0,0,0|1,0,0]=3 1115 B9R1.2 OCC1=CC(Br)=NC=C1 7708 [0,2,0,0,0,0|1,0,0]=3 1116 B9R1.2 OCC1=CC(Cl)=CC=C1 3626 [0,2,0,0,0,0|0,0,0]=2 1117 B9R1.2 OCC1=CC(Cl)=CN=C1 12982 [0,2,0,0,0,0|1,0,0]=3 1118 B9R1.2 OCC1=CC(Cl)=NC=C1 18605 [0,2,0,0,0,0|1,0,0]=3 1119 B9R1.2 OCC1=CC(F)=CC=C1 3486 [0,2,0,0,0,0|0,0,0]=2 1120 B9R1.2 OCC1=CC(I)=CC=C1 24776 [0,2,0,0,0,0|0,0,0]=2 1121 B9R1.2 OCC1=CC(I)=CN=C1 16706 [0,2,0,0,0,0|1,0,0]=3 1122 B9R1.2 OCC1=CC=CC(Br)=N1 7712 [0,2,0,0,0,0|1,0,0]=3 1123 B9R1.2 OCC1=NC(Cl)=CC=C1 13322 [0,2,0,0,0,0|1,0,0]=3 1124 B9R1.2 OCC1=NC(Cl)=CC=C1 18795 [0,2,0,0,0,0|1,0,0]=3 1125 B9R1.2 OCC1=NC(Cl)=CN=C1 32136 [0,2,0,0,0,0|2,0,0]=4 1126 B9R1.2 OCC1=NC(I)=CC=C1 26934 [0,2,0,0,0,0|1,0,0]=3 1127 B9R1.2 OCC1=NC=CC(Br)=C1 20564 [0,2,0,0,0,0|1,0,0]=3 1128 B9R1.2 OCC1=NC=CC(Cl)=C1 9828 [0,2,0,0,0,0|1,0,0]=3 1129 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,2,0,0,0,0|1,0,1]=4 1130 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [0,2,0,0,0,0|1,0,1]=4 1131 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,2,0,0,0,0|1,0,1]=4 1132 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [0,2,0,0,0,0|1,0,0]=3 1133 B9R1.6 CC(N)C1=CC=CC=C1 21079 [0,2,0,0,0,0|1,0,0]=3 1134 B9R1.6 CN(C)C1=CC=NC=C1 2377 [0,2,0,0,0,0|2,0,0]=4 1135 B9R1.6 CN(C)C1=NC=CC=C1 14996 [0,2,0,0,0,0|2,0,0]=4 1136 B9R1.6 CP(C)C1=CC=CC=C1 6420 [0,2,0,0,0,0|1,0,0]=3 1137 B9R1.6 C[C@@H](N)c1ccccc1 6026 [0,2,0,0,0,0|1,0,0]=3 1138 B9R1.6 C[C@@H](N)c1ccccc1 6060 [0,2,0,0,0,0|1,0,0]=3 1139 B9R1.6 C[C@@H](N)c1ccccc1 9918 [0,2,0,0,0,0|1,0,0]=3 1140 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [0,2,0,0,0,0|1,0,0]=3 1141 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [0,2,0,0,0,0|1,0,0]=3 1142 B9R1.6 C[C@@H](O)c1ccccc1 6851 [0,2,0,0,0,0|0,0,0]=2 1143 B9R1.6 C[C@H](N)c1ccccc1 6025 [0,2,0,0,0,0|1,0,0]=3 1144 B9R1.6 C[C@H](N)c1ccccc1 6061 [0,2,0,0,0,0|1,0,0]=3 1145 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [0,2,0,0,0,0|1,0,0]=3 1146 B9R1.6 C[C@H](O)c1ccccc1 6858 [0,2,0,0,0,0|0,0,0]=2 1147 B9R1.6 ClP(Cl)C1=CC=CC=C1 6469 [0,2,0,0,0,0|1,0,0]=3 1148 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [0,2,0,0,0,0|1,0,0]=3 1149 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [0,2,0,0,0,0|2,0,0]=4 1150 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [0,2,0,0,0,0|2,0,0]=4 1151 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [0,2,0,0,0,0|2,0,0]=4 1152 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [0,2,0,0,0,0|2,0,0]=4 1153 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [0,2,0,0,0,0|1,0,1]=4 1154 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [0,2,0,0,0,0|0,1,0]=3 1155 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [0,2,0,0,0,0|0,1,0]=3 1156 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [0,2,0,0,0,0|0,0,1]=3 1157 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [0,2,0,0,0,0|1,0,1]=4 1158 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [0,2,0,0,0,0|1,0,1]=4 1159 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [0,2,0,0,0,0|1,0,1]=4 1160 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [0,2,0,0,0,0|2,0,0]=4 1161 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [0,2,0,0,0,0|1,0,0]=3 1162 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [0,2,0,0,0,0|1,0,0]=3 1163 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [0,2,0,0,0,0|2,0,0]=4 1164 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [0,2,0,0,0,0|2,0,0]=4 1165 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [0,2,0,0,0,0|1,0,0]=3 1166 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [0,2,0,0,0,0|2,0,0]=4 1167 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [0,2,0,0,0,0|2,0,0]=4 1168 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [0,2,0,0,0,0|2,0,0]=4 1169 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [0,2,0,0,0,0|1,0,1]=4 1170 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [0,2,0,0,0,0|1,0,1]=4 1171 B9R1.6 OB(O)C1=CC=CC=C1 1753 [0,2,0,0,0,0|0,0,0]=2 1172 B9R1.6 OB(O)C1=CC=CN=C1 2183 [0,2,0,0,0,0|1,0,0]=3 1173 B9R1.6 OB(O)C1=CC=NC=C1 5145 [0,2,0,0,0,0|1,0,0]=3 1174 B9R1.6 OB(O)C1=CN=CN=C1 5199 [0,2,0,0,0,0|2,0,0]=4 1175 B9R1.6 OB(O)C1=NC=CC=C1 4076 [0,2,0,0,0,0|1,0,0]=3 1176 B9R1.6 OB(O)C1=NC=NC=C1 20437 [0,2,0,0,0,0|2,0,0]=4 1177 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [0,2,0,0,0,0|0,0,0]=2 1178 B9R1.8 BrCCC1=CC=CN=C1 21399 [0,2,0,0,0,0|2,0,0]=4 1179 B9R1.8 BrCCC1=NC=CC=C1 23421 [0,2,0,0,0,0|2,0,0]=4 1180 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [0,2,0,0,0,0|1,0,0]=3 1181 B9R1.8 C=CCC1=CC=CC=C1 29358 [0,2,0,0,0,0|1,0,0]=3 1182 B9R1.8 C=CSC1=CC=CC=C1 10778 [0,2,0,0,0,0|0,1,0]=3 1183 B9R1.8 CCCC1=CC=CC=C1 10852 [0,2,0,0,0,0|1,0,0]=3 1184 B9R1.8 CCCC1=CC=NC=C1 15021 [0,2,0,0,0,0|2,0,0]=4 1185 B9R1.8 CCOC1=CC=NC=C1 1125 [0,2,0,0,0,0|1,0,0]=3 1186 B9R1.8 CCOC1=NC=CC=C1 1126 [0,2,0,0,0,0|1,0,0]=3 1187 B9R1.8 CCSC1=CC=CC=C1 10773 [0,2,0,0,0,0|0,1,0]=3 1188 B9R1.8 CNCC1=CC=CC=C1 19910 [0,2,0,0,0,0|1,0,0]=3 1189 B9R1.8 CNCC1=CC=CC=C1 25218 [0,2,0,0,0,0|1,0,0]=3 1190 B9R1.8 CNCC1=CC=CC=C1 5801 [0,2,0,0,0,0|1,0,0]=3 1191 B9R1.8 COCC1=CC=CC=C1 15300 [0,2,0,0,0,0|0,0,0]=2 1192 B9R1.8 ClCCC1=CC=CC=C1 26674 [0,2,0,0,0,0|1,0,0]=3 1193 B9R1.8 ClCCC1=CC=CN=C1 23929 [0,2,0,0,0,0|2,0,0]=4 1194 B9R1.8 ClCSC1=CC=CC=C1 10735 [0,2,0,0,0,0|0,1,0]=3 1195 B9R1.8 N#CCC1=NC=CC=C1 9302 [0,2,0,0,0,0|2,0,0]=4 1196 B9R1.8 NCCC1=CC=CN=C1 13196 [0,2,0,0,0,0|2,0,0]=4 1197 B9R1.8 NCCC1=CC=CN=C1 14084 [0,2,0,0,0,0|2,0,0]=4 1198 B9R1.8 NCCC1=CC=NC=C1 13447 [0,2,0,0,0,0|2,0,0]=4 1199 B9R1.8 NCCC1=NC=CC=C1 2592 [0,2,0,0,0,0|2,0,0]=4 1200 B9R1.8 NCCc1ccccc1 21077 [0,2,0,0,0,0|1,0,0]=3 1201 B9R1.8 NNCC1=CC=CC=C1 29056 [0,2,0,0,0,0|1,0,0]=3 1202 B9R1.8 NOCC1=CC=CC=C1 24804 [0,2,0,0,0,0|0,0,0]=2 1203 B9R1.8 NOCC1=CC=CC=C1 7095 [0,2,0,0,0,0|0,0,0]=2 1204 B9R1.8 O=C=NC1=CC=CN=C1 14441 [0,2,0,0,0,0|1,0,1]=4 1205 B9R1.8 OCCC1=NC=CC=C1 2593 [0,2,0,0,0,0|1,0,0]=3 1206 B9R1.8 ONCC1=CC=CC=C1 25520 [0,2,0,0,0,0|0,0,0]=2 1207 B9R1.8 S=C=NC1=CC=CC=C1 18702 [0,2,0,0,0,0|0,1,0]=3 1208 B9R1.8 SCCC1=CC=CN=C1 25052 [0,2,0,0,0,0|1,1,0]=4 1209 B9R1.8 SCCC1=NC=CC=C1 25015 [0,2,0,0,0,0|1,1,0]=4 1210 B9R1.15 BrCC1=C(Br)C=CC=C1 16915 [0,2,0,0,0,0|1,0,0]=3 1211 B9R1.15 BrCC1=C(I)C=CC=C1 14812 [0,2,0,0,0,0|1,0,0]=3 1212 B9R1.15 BrCC1=CC=CN=C1Br 22284 [0,2,0,0,0,0|2,0,0]=4 1213 B9R1.15 C#CC1=C(Cl)C=CC=C1 2550 [0,2,0,0,0,0|1,0,0]=3 1214 B9R1.15 C#CC1=CC=CN=C1N 34373 [0,2,0,0,0,0|2,0,0]=4 1215 B9R1.15 C=CC1=C(Br)C=CC=C1 23975 [0,2,0,0,0,0|1,0,0]=3 1216 B9R1.15 CC1=C(C#N)C=CC=C1 25285 [0,2,0,0,0,0|1,0,0]=3 1217 B9R1.15 CC1=C(C#N)C=CN=C1 20005 [0,2,0,0,0,0|2,0,0]=4 1218 B9R1.15 CC1=C(C#N)C=NC=C1 31633 [0,2,0,0,0,0|2,0,0]=4 1219 B9R1.15 CC1=C(C#N)C=NC=C1 6623 [0,2,0,0,0,0|2,0,0]=4 1220 B9R1.15 CC1=C(C=O)C=CC=N1 24064 [0,2,0,0,0,0|1,0,1]=4 1221 B9R1.15 CC1=C(CCl)C=CC=C1 7487 [0,2,0,0,0,0|1,0,0]=3 1222 B9R1.15 CC1=C(CN)C=CC=C1 10197 [0,2,0,0,0,0|1,0,0]=3 1223 B9R1.15 CC1=C(CO)C=NC=C1 34710 [0,2,0,0,0,0|1,0,0]=3 1224 B9R1.15 CC1=C(NN)C=CC=C1 22584 [0,2,0,0,0,0|1,0,0]=3 1225 B9R1.15 CC1=C(NN)C=CC=C1 6396 [0,2,0,0,0,0|1,0,0]=3 1226 B9R1.15 CC1=CC=CC=C1C=O 15511 [0,2,0,0,0,0|0,0,1]=3 1227 B9R1.15 CC1=CC=CN=C1C#N 9627 [0,2,0,0,0,0|2,0,0]=4 1228 B9R1.15 CC1=CC=CN=C1C=O 17165 [0,2,0,0,0,0|1,0,1]=4 1229 B9R1.15 CC1=CC=NC=C1C#N 18426 [0,2,0,0,0,0|2,0,0]=4 1230 B9R1.15 CC1=CC=NC=C1C=O 18427 [0,2,0,0,0,0|1,0,1]=4 1231 B9R1.15 CC1=NC=CC=C1C#N 17460 [0,2,0,0,0,0|2,0,0]=4 1232 B9R1.15 CC1=NC=CC=C1CCl 26692 [0,2,0,0,0,0|2,0,0]=4 1233 B9R1.15 CC1=NC=CC=C1CO 26693 [0,2,0,0,0,0|1,0,0]=3 1234 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [0,2,0,0,0,0|1,0,0]=3 1235 B9R1.15 CCC1=C(I)C=CC=C1 3876 [0,2,0,0,0,0|1,0,0]=3 1236 B9R1.15 CCC1=C(N)C=CC=C1 20945 [0,2,0,0,0,0|1,0,0]=3 1237 B9R1.15 CCC1=C(N)C=CC=C1 21080 [0,2,0,0,0,0|1,0,0]=3 1238 B9R1.15 CCC1=C(O)C=CC=C1 3871 [0,2,0,0,0,0|0,0,0]=2 1239 B9R1.15 CCC1=C(S)C=CC=C1 6844 [0,2,0,0,0,0|0,1,0]=3 1240 B9R1.15 CCC1=CC=CN=C1N 35166 [0,2,0,0,0,0|2,0,0]=4 1241 B9R1.15 CCC1=NC=CC=C1Br 27958 [0,2,0,0,0,0|2,0,0]=4 1242 B9R1.15 CC[N+]1=C(Br)C=CC=C1 35190 [0,2,0,0,0,0|2,0,0]=4 1243 B9R1.15 CNC1=C(F)C=CC=C1 15527 [0,2,0,0,0,0|1,0,0]=3 1244 B9R1.15 CNC1=C(N)C=NC=C1 29063 [0,2,0,0,0,0|2,0,0]=4 1245 B9R1.15 CNC1=CC=CC=C1N 14987 [0,2,0,0,0,0|1,0,0]=3 1246 B9R1.15 COC1=C(Br)C=CC=C1 3725 [0,2,0,0,0,0|0,0,0]=2 1247 B9R1.15 COC1=C(Br)C=CN=C1 20095 [0,2,0,0,0,0|1,0,0]=3 1248 B9R1.15 COC1=C(Br)C=CN=C1 34713 [0,2,0,0,0,0|1,0,0]=3 1249 B9R1.15 COC1=C(Br)C=NC=C1 6686 [0,2,0,0,0,0|1,0,0]=3 1250 B9R1.15 COC1=C(C)C=CN=C1 34674 [0,2,0,0,0,0|1,0,0]=3 1251 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [0,2,0,0,0,0|0,0,0]=2 1252 B9R1.15 COC1=C(Cl)C=CN=C1 33677 [0,2,0,0,0,0|1,0,0]=3 1253 B9R1.15 COC1=C(Cl)C=NC=C1 6687 [0,2,0,0,0,0|1,0,0]=3 1254 B9R1.15 COC1=C(F)C=CC=C1 3473 [0,2,0,0,0,0|0,0,0]=2 1255 B9R1.15 COC1=C(I)C=CC=C1 3898 [0,2,0,0,0,0|0,0,0]=2 1256 B9R1.15 COC1=C(I)C=NC=C1 34558 [0,2,0,0,0,0|1,0,0]=3 1257 B9R1.15 COC1=C(N)C=CN=C1 27755 [0,2,0,0,0,0|1,0,0]=3 1258 B9R1.15 COC1=C(O)C=CN=C1 34289 [0,2,0,0,0,0|1,0,0]=3 1259 B9R1.15 COC1=C(S)C=CC=C1 6816 [0,2,0,0,0,0|0,0,0]=2 1260 B9R1.15 COC1=CC=CC=C1O 26545 [0,2,0,0,0,0|0,0,0]=2 1261 B9R1.15 COC1=CC=CN=C1Br 5916 [0,2,0,0,0,0|1,0,0]=3 1262 B9R1.15 COC1=CC=CN=C1C 6637 [0,2,0,0,0,0|1,0,0]=3 1263 B9R1.15 COC1=CC=CN=C1Cl 6146 [0,2,0,0,0,0|1,0,0]=3 1264 B9R1.15 COC1=CC=CN=C1N 28123 [0,2,0,0,0,0|1,0,0]=3 1265 B9R1.15 COC1=CC=CN=C1O 6543 [0,2,0,0,0,0|1,0,0]=3 1266 B9R1.15 COC1=CN=CN=C1Cl 32304 [0,2,0,0,0,0|2,0,0]=4 1267 B9R1.15 COC1=NC=CC=C1Br 1180 [0,2,0,0,0,0|1,0,0]=3 1268 B9R1.15 COC1=NC=CC=C1C 6594 [0,2,0,0,0,0|1,0,0]=3 1269 B9R1.15 COC1=NC=CC=C1Cl 1189 [0,2,0,0,0,0|1,0,0]=3 1270 B9R1.15 COC1=NC=CC=C1F 10624 [0,2,0,0,0,0|1,0,0]=3 1271 B9R1.15 COC1=NC=CC=C1I 6586 [0,2,0,0,0,0|1,0,0]=3 1272 B9R1.15 COC1=NC=CC=C1N 1269 [0,2,0,0,0,0|1,0,0]=3 1273 B9R1.15 COC1=NC=CN=C1Br 32150 [0,2,0,0,0,0|2,0,0]=4 1274 B9R1.15 COC1=NC=CN=C1C 9109 [0,2,0,0,0,0|2,0,0]=4 1275 B9R1.15 COC1=NC=CN=C1Cl 8545 [0,2,0,0,0,0|2,0,0]=4 1276 B9R1.15 COC1=NC=CN=C1N 27380 [0,2,0,0,0,0|2,0,0]=4 1277 B9R1.15 CSC1=C(Br)C=CC=C1 10648 [0,2,0,0,0,0|0,1,0]=3 1278 B9R1.15 CSC1=C(C)C=CC=C1 10730 [0,2,0,0,0,0|0,1,0]=3 1279 B9R1.15 CSC1=C(Cl)C=CC=C1 10643 [0,2,0,0,0,0|0,1,0]=3 1280 B9R1.15 CSC1=C(F)C=CC=C1 10638 [0,2,0,0,0,0|0,1,0]=3 1281 B9R1.15 CSC1=C(I)C=CC=C1 10668 [0,2,0,0,0,0|0,1,0]=3 1282 B9R1.15 CSC1=C(N)C=CC=C1 10633 [0,2,0,0,0,0|0,1,0]=3 1283 B9R1.15 CSC1=C(O)C=CC=C1 10666 [0,2,0,0,0,0|0,0,0]=2 1284 B9R1.15 ClC1=C(CBr)C=CC=C1 12482 [0,2,0,0,0,0|1,0,0]=3 1285 B9R1.15 ClCC1=C(Cl)C=CC=C1 10203 [0,2,0,0,0,0|1,0,0]=3 1286 B9R1.15 ClCC1=NC=CC=C1Cl 27217 [0,2,0,0,0,0|2,0,0]=4 1287 B9R1.15 FC1=C(CBr)C=CC=C1 10383 [0,2,0,0,0,0|1,0,0]=3 1288 B9R1.15 FC1=C(CCl)C=CC=C1 2094 [0,2,0,0,0,0|1,0,0]=3 1289 B9R1.15 N#CC1=C(Br)C=CC=C1 3744 [0,2,0,0,0,0|1,0,0]=3 1290 B9R1.15 N#CC1=C(Br)C=CN=C1 17650 [0,2,0,0,0,0|2,0,0]=4 1291 B9R1.15 N#CC1=C(Br)C=NC=C1 17105 [0,2,0,0,0,0|2,0,0]=4 1292 B9R1.15 N#CC1=C(Br)N=CC=C1 35805 [0,2,0,0,0,0|2,0,0]=4 1293 B9R1.15 N#CC1=C(Cl)C=NC=C1 15941 [0,2,0,0,0,0|2,0,0]=4 1294 B9R1.15 N#CC1=C(F)C=CC=C1 1578 [0,2,0,0,0,0|1,0,0]=3 1295 B9R1.15 N#CC1=C(I)C=CC=C1 3932 [0,2,0,0,0,0|1,0,0]=3 1296 B9R1.15 N#CC1=C(I)N=CC=C1 34249 [0,2,0,0,0,0|2,0,0]=4 1297 B9R1.15 N#CC1=C(N)C=NC=C1 9759 [0,2,0,0,0,0|2,0,0]=4 1298 B9R1.15 N#CC1=C(O)C=CC=C1 4803 [0,2,0,0,0,0|0,0,0]=2 1299 B9R1.15 N#CC1=CC=CC=C1N 13630 [0,2,0,0,0,0|1,0,0]=3 1300 B9R1.15 N#CC1=CC=CN=C1Cl 2573 [0,2,0,0,0,0|2,0,0]=4 1301 B9R1.15 N#CC1=CC=CN=C1F 1108 [0,2,0,0,0,0|2,0,0]=4 1302 B9R1.15 N#CC1=CC=CN=C1N 5584 [0,2,0,0,0,0|2,0,0]=4 1303 B9R1.15 N#CC1=CC=CN=C1O 20421 [0,2,0,0,0,0|1,0,0]=3 1304 B9R1.15 N#CC1=CC=CN=C1O 6539 [0,2,0,0,0,0|1,0,0]=3 1305 B9R1.15 N#CC1=CN=CC=C1O 13974 [0,2,0,0,0,0|1,0,0]=3 1306 B9R1.15 N#CC1=CN=CN=C1O 12432 [0,2,0,0,0,0|2,0,0]=4 1307 B9R1.15 N#CC1=NC=CC=C1Br 2263 [0,2,0,0,0,0|2,0,0]=4 1308 B9R1.15 N#CC1=NC=CC=C1Cl 14368 [0,2,0,0,0,0|2,0,0]=4 1309 B9R1.15 N#CC1=NC=CC=C1F 16434 [0,2,0,0,0,0|2,0,0]=4 1310 B9R1.15 N#CC1=NC=CC=C1I 15743 [0,2,0,0,0,0|2,0,0]=4 1311 B9R1.15 N#CC1=NC=CC=C1N 7667 [0,2,0,0,0,0|2,0,0]=4 1312 B9R1.15 N#CC1=NC=CC=C1O 9231 [0,2,0,0,0,0|1,0,0]=3 1313 B9R1.15 NC1=C(C=O)C=CC=C1 15692 [0,2,0,0,0,0|0,0,1]=3 1314 B9R1.15 NC1=C(C=O)C=CN=C1 26765 [0,2,0,0,0,0|1,0,1]=4 1315 B9R1.15 NC1=C(C=O)C=NC=C1 7681 [0,2,0,0,0,0|1,0,1]=4 1316 B9R1.15 NC1=C(CO)C=CC=C1 7478 [0,2,0,0,0,0|0,0,0]=2 1317 B9R1.15 NC1=C(CO)C=CN=C1 7692 [0,2,0,0,0,0|1,0,0]=3 1318 B9R1.15 NC1=C(CO)C=NC=C1 26901 [0,2,0,0,0,0|1,0,0]=3 1319 B9R1.15 NC1=CC=CN=C1C=O 7680 [0,2,0,0,0,0|1,0,1]=4 1320 B9R1.15 NC1=CC=CN=C1CO 35900 [0,2,0,0,0,0|1,0,0]=3 1321 B9R1.15 NC1=NC=CC=C1C=O 1262 [0,2,0,0,0,0|1,0,1]=4 1322 B9R1.15 NC1=NC=CC=C1CO 7688 [0,2,0,0,0,0|1,0,0]=3 1323 B9R1.15 NCC1=C(Br)C=CC=C1 20398 [0,2,0,0,0,0|1,0,0]=3 1324 B9R1.15 NCC1=C(Br)C=CC=C1 3749 [0,2,0,0,0,0|1,0,0]=3 1325 B9R1.15 NCC1=C(Cl)C=CC=C1 5800 [0,2,0,0,0,0|1,0,0]=3 1326 B9R1.15 NCC1=C(Cl)C=CC=C1 6155 [0,2,0,0,0,0|1,0,0]=3 1327 B9R1.15 NCC1=C(F)C=CC=C1 4415 [0,2,0,0,0,0|1,0,0]=3 1328 B9R1.15 NCC1=C(N)C=CC=C1 23363 [0,2,0,0,0,0|1,0,0]=3 1329 B9R1.15 NCC1=C(O)C=CC=C1 7383 [0,2,0,0,0,0|0,0,0]=2 1330 B9R1.15 NCC1=CC=CN=C1Cl 17749 [0,2,0,0,0,0|2,0,0]=4 1331 B9R1.15 NCC1=NC=CC=C1O 34602 [0,2,0,0,0,0|1,0,0]=3 1332 B9R1.15 NNC1=C(Br)C=CC=C1 4463 [0,2,0,0,0,0|1,0,0]=3 1333 B9R1.15 NNC1=C(Cl)C=CC=C1 4482 [0,2,0,0,0,0|1,0,0]=3 1334 B9R1.15 NNC1=C(F)C=CC=C1 3347 [0,2,0,0,0,0|1,0,0]=3 1335 B9R1.15 NNC1=C(F)C=CC=C1 3350 [0,2,0,0,0,0|1,0,0]=3 1336 B9R1.15 NNC1=NC=CC=C1Cl 6444 [0,2,0,0,0,0|2,0,0]=4 1337 B9R1.15 NNC1=NC=CC=C1F 19894 [0,2,0,0,0,0|2,0,0]=4 1338 B9R1.15 O=CC1=C(Br)C=CC=C1 3727 [0,2,0,0,0,0|0,0,1]=3 1339 B9R1.15 O=CC1=C(Br)C=CN=C1 5061 [0,2,0,0,0,0|1,0,1]=4 1340 B9R1.15 O=CC1=C(Br)C=NC=C1 5063 [0,2,0,0,0,0|1,0,1]=4 1341 B9R1.15 O=CC1=C(Cl)C=CN=C1 7359 [0,2,0,0,0,0|1,0,1]=4 1342 B9R1.15 O=CC1=C(Cl)C=NC=C1 25431 [0,2,0,0,0,0|1,0,1]=4 1343 B9R1.15 O=CC1=C(F)C=CC=C1 3476 [0,2,0,0,0,0|0,0,1]=3 1344 B9R1.15 O=CC1=C(F)C=NC=C1 5137 [0,2,0,0,0,0|1,0,1]=4 1345 B9R1.15 O=CC1=C(I)C=CC=C1 3914 [0,2,0,0,0,0|0,0,1]=3 1346 B9R1.15 O=CC1=C(O)C=NC=C1 33398 [0,2,0,0,0,0|1,0,0]=3 1347 B9R1.15 O=CC1=C(O)N=CC=C1 17177 [0,2,0,0,0,0|1,0,0]=3 1348 B9R1.15 O=CC1=CC=CN=C1Br 5057 [0,2,0,0,0,0|1,0,1]=4 1349 B9R1.15 O=CC1=CC=CN=C1Cl 31630 [0,2,0,0,0,0|1,0,1]=4 1350 B9R1.15 O=CC1=CC=CN=C1Cl 5097 [0,2,0,0,0,0|1,0,1]=4 1351 B9R1.15 O=CC1=CC=CN=C1F 5131 [0,2,0,0,0,0|1,0,1]=4 1352 B9R1.15 O=CC1=NC=CC=C1Br 15122 [0,2,0,0,0,0|1,0,1]=4 1353 B9R1.15 O=CC1=NC=CC=C1Cl 17163 [0,2,0,0,0,0|1,0,1]=4 1354 B9R1.15 O=CC1=NC=CC=C1F 5142 [0,2,0,0,0,0|1,0,1]=4 1355 B9R1.15 O=CC1=NC=CC=C1O 12415 [0,2,0,0,0,0|1,0,0]=3 1356 B9R1.15 OCC1=C(Br)C=CC=C1 3746 [0,2,0,0,0,0|0,0,0]=2 1357 B9R1.15 OCC1=C(Cl)C=CC=C1 3625 [0,2,0,0,0,0|0,0,0]=2 1358 B9R1.15 OCC1=C(Cl)C=CN=C1 12981 [0,2,0,0,0,0|1,0,0]=3 1359 B9R1.15 OCC1=C(F)C=CC=C1 3485 [0,2,0,0,0,0|0,0,0]=2 1360 B9R1.15 OCC1=C(F)C=NC=C1 23891 [0,2,0,0,0,0|1,0,0]=3 1361 B9R1.15 OCC1=C(O)C=CC=C1 21869 [0,2,0,0,0,0|0,0,0]=2 1362 B9R1.15 OCC1=CC=CN=C1Cl 12984 [0,2,0,0,0,0|1,0,0]=3 1363 B9R1.15 OCC1=CC=CN=C1F 7351 [0,2,0,0,0,0|1,0,0]=3 1364 B9R1.15 OCC1=NC=CC=C1F 15108 [0,2,0,0,0,0|1,0,0]=3 1365 B9R1.15 OCC1=NC=CC=C1O 4075 [0,2,0,0,0,0|1,0,0]=3 1366 B9R1.15 OCC1=NC=CN=C1Cl 32144 [0,2,0,0,0,0|2,0,0]=4 1367 B9R1.15 SCC1=C(Cl)C=CC=C1 6836 [0,2,0,0,0,0|0,1,0]=3 1368 B9R1.15 SCc1ccccc1Br 6847 [0,2,0,0,0,0|0,1,0]=3 1369 B9R1.69 BrC1=C(I)C=CC(I)=C1 25907 [0,2,0,0,0,0|1,0,0]=3 1370 B9R1.69 BrC1=CC(Br)=C(Br)C=C1 28486 [0,2,0,0,0,0|1,0,0]=3 1371 B9R1.69 BrC1=CN=C(Br)C(Br)=C1 10382 [0,2,0,0,0,0|2,0,0]=4 1372 B9R1.69 BrC1=CN=C(Br)C=C1Br 36286 [0,2,0,0,0,0|2,0,0]=4 1373 B9R1.69 BrC1=CN=C(Br)C=C1I 34489 [0,2,0,0,0,0|2,0,0]=4 1374 B9R1.69 BrC1=CN=C(I)C(Br)=C1 6568 [0,2,0,0,0,0|2,0,0]=4 1375 B9R1.69 CC1=C(Br)C=C(Br)C=C1 3915 [0,2,0,0,0,0|1,0,0]=3 1376 B9R1.69 CC1=C(Br)C=C(Cl)C=C1 3599 [0,2,0,0,0,0|1,0,0]=3 1377 B9R1.69 CC1=C(Br)C=C(F)C=C1 1602 [0,2,0,0,0,0|1,0,0]=3 1378 B9R1.69 CC1=C(Br)C=C(N)C=C1 5336 [0,2,0,0,0,0|1,0,0]=3 1379 B9R1.69 CC1=C(Br)C=C(O)C=C1 27670 [0,2,0,0,0,0|0,0,0]=2 1380 B9R1.69 CC1=C(Br)C=CC(Br)=C1 3922 [0,2,0,0,0,0|1,0,0]=3 1381 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 3600 [0,2,0,0,0,0|1,0,0]=3 1382 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 6208 [0,2,0,0,0,0|2,0,0]=4 1383 B9R1.69 CC1=C(Br)C=CC(F)=C1 1603 [0,2,0,0,0,0|1,0,0]=3 1384 B9R1.69 CC1=C(Br)C=CC(F)=N1 6317 [0,2,0,0,0,0|2,0,0]=4 1385 B9R1.69 CC1=C(Br)C=CC(I)=C1 3791 [0,2,0,0,0,0|1,0,0]=3 1386 B9R1.69 CC1=C(Br)C=CC(N)=C1 4339 [0,2,0,0,0,0|1,0,0]=3 1387 B9R1.69 CC1=C(Br)C=CC(N)=C1 5368 [0,2,0,0,0,0|1,0,0]=3 1388 B9R1.69 CC1=C(Br)C=CC(N)=N1 1237 [0,2,0,0,0,0|2,0,0]=4 1389 B9R1.69 CC1=C(Br)C=CC(O)=C1 2201 [0,2,0,0,0,0|0,0,0]=2 1390 B9R1.69 CC1=C(Br)C=CC(O)=N1 6565 [0,2,0,0,0,0|1,0,0]=3 1391 B9R1.69 CC1=C(C)C=C(Br)C=C1 3764 [0,2,0,0,0,0|1,0,0]=3 1392 B9R1.69 CC1=C(C)C=C(Cl)C=C1 3641 [0,2,0,0,0,0|1,0,0]=3 1393 B9R1.69 CC1=C(C)C=C(F)C=C1 14118 [0,2,0,0,0,0|1,0,0]=3 1394 B9R1.69 CC1=C(C)C=C(I)C=C1 3105 [0,2,0,0,0,0|1,0,0]=3 1395 B9R1.69 CC1=C(C)C=C(O)C=C1 21761 [0,2,0,0,0,0|0,0,0]=2 1396 B9R1.69 CC1=C(C)C=C(S)C=C1 6812 [0,2,0,0,0,0|0,1,0]=3 1397 B9R1.69 CC1=C(C)N=C(N)C=C1 26060 [0,2,0,0,0,0|2,0,0]=4 1398 B9R1.69 CC1=C(C)N=C(O)C=N1 34143 [0,2,0,0,0,0|2,0,0]=4 1399 B9R1.69 CC1=C(Cl)C=C(Br)C=C1 3603 [0,2,0,0,0,0|1,0,0]=3 1400 B9R1.69 CC1=C(Cl)C=C(F)C=C1 1605 [0,2,0,0,0,0|1,0,0]=3 1401 B9R1.69 CC1=C(Cl)C=C(I)C=C1 3652 [0,2,0,0,0,0|1,0,0]=3 1402 B9R1.69 CC1=C(Cl)C=C(N)C=C1 19746 [0,2,0,0,0,0|1,0,0]=3 1403 B9R1.69 CC1=C(Cl)C=C(O)C=C1 3671 [0,2,0,0,0,0|0,0,0]=2 1404 B9R1.69 CC1=C(Cl)C=C(O)C=N1 34283 [0,2,0,0,0,0|1,0,0]=3 1405 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 3604 [0,2,0,0,0,0|1,0,0]=3 1406 B9R1.69 CC1=C(Cl)C=CC(Cl)=C1 3700 [0,2,0,0,0,0|1,0,0]=3 1407 B9R1.69 CC1=C(Cl)C=CC(F)=C1 1606 [0,2,0,0,0,0|1,0,0]=3 1408 B9R1.69 CC1=C(Cl)C=CC(I)=C1 3653 [0,2,0,0,0,0|1,0,0]=3 1409 B9R1.69 CC1=C(Cl)C=CC(N)=C1 3439 [0,2,0,0,0,0|1,0,0]=3 1410 B9R1.69 CC1=C(Cl)C=CC(N)=N1 5718 [0,2,0,0,0,0|2,0,0]=4 1411 B9R1.69 CC1=C(Cl)N=C(N)C=C1 35154 [0,2,0,0,0,0|2,0,0]=4 1412 B9R1.69 CC1=C(F)C=C(Br)C=C1 1601 [0,2,0,0,0,0|1,0,0]=3 1413 B9R1.69 CC1=C(F)C=C(Cl)C=C1 3437 [0,2,0,0,0,0|1,0,0]=3 1414 B9R1.69 CC1=C(F)C=C(F)C=C1 1612 [0,2,0,0,0,0|1,0,0]=3 1415 B9R1.69 CC1=C(F)C=C(I)C=C1 1618 [0,2,0,0,0,0|1,0,0]=3 1416 B9R1.69 CC1=C(F)C=C(N)C=C1 1509 [0,2,0,0,0,0|1,0,0]=3 1417 B9R1.69 CC1=C(F)C=C(O)C=C1 1499 [0,2,0,0,0,0|0,0,0]=2 1418 B9R1.69 CC1=C(F)C=C(S)C=C1 6872 [0,2,0,0,0,0|0,1,0]=3 1419 B9R1.69 CC1=C(F)C=CC(Br)=C1 1599 [0,2,0,0,0,0|1,0,0]=3 1420 B9R1.69 CC1=C(F)C=CC(Br)=N1 1135 [0,2,0,0,0,0|2,0,0]=4 1421 B9R1.69 CC1=C(F)C=CC(Cl)=C1 1609 [0,2,0,0,0,0|1,0,0]=3 1422 B9R1.69 CC1=C(F)C=CC(Cl)=N1 6219 [0,2,0,0,0,0|2,0,0]=4 1423 B9R1.69 CC1=C(F)C=CC(F)=C1 1613 [0,2,0,0,0,0|1,0,0]=3 1424 B9R1.69 CC1=C(F)C=CC(I)=C1 1619 [0,2,0,0,0,0|1,0,0]=3 1425 B9R1.69 CC1=C(F)C=CC(N)=C1 1513 [0,2,0,0,0,0|1,0,0]=3 1426 B9R1.69 CC1=C(F)C=CC(N)=N1 26666 [0,2,0,0,0,0|2,0,0]=4 1427 B9R1.69 CC1=C(F)C=CC(O)=C1 1501 [0,2,0,0,0,0|0,0,0]=2 1428 B9R1.69 CC1=C(I)C=C(Cl)C=C1 3657 [0,2,0,0,0,0|1,0,0]=3 1429 B9R1.69 CC1=C(I)C=C(F)C=C1 1622 [0,2,0,0,0,0|1,0,0]=3 1430 B9R1.69 CC1=C(I)C=C(N)C=C1 3314 [0,2,0,0,0,0|1,0,0]=3 1431 B9R1.69 CC1=C(I)C=CC(Br)=C1 3793 [0,2,0,0,0,0|1,0,0]=3 1432 B9R1.69 CC1=C(I)C=CC(Cl)=C1 25479 [0,2,0,0,0,0|1,0,0]=3 1433 B9R1.69 CC1=C(I)C=CC(Cl)=N1 13524 [0,2,0,0,0,0|2,0,0]=4 1434 B9R1.69 CC1=C(I)C=CC(F)=C1 1624 [0,2,0,0,0,0|1,0,0]=3 1435 B9R1.69 CC1=C(I)C=CC(F)=N1 13525 [0,2,0,0,0,0|2,0,0]=4 1436 B9R1.69 CC1=C(I)C=CC(N)=N1 13519 [0,2,0,0,0,0|2,0,0]=4 1437 B9R1.69 CC1=C(I)C=CC(O)=C1 23022 [0,2,0,0,0,0|0,0,0]=2 1438 B9R1.69 CC1=C(N)C=C(Br)C=C1 3801 [0,2,0,0,0,0|1,0,0]=3 1439 B9R1.69 CC1=C(N)C=C(Cl)C=C1 14280 [0,2,0,0,0,0|1,0,0]=3 1440 B9R1.69 CC1=C(N)C=C(Cl)C=C1 35457 [0,2,0,0,0,0|1,0,0]=3 1441 B9R1.69 CC1=C(N)C=C(F)C=C1 1512 [0,2,0,0,0,0|1,0,0]=3 1442 B9R1.69 CC1=C(N)C=C(I)C=C1 31023 [0,2,0,0,0,0|1,0,0]=3 1443 B9R1.69 CC1=C(N)C=C(N)C=C1 21656 [0,2,0,0,0,0|1,0,0]=3 1444 B9R1.69 CC1=C(N)C=C(O)C=C1 4524 [0,2,0,0,0,0|0,0,0]=2 1445 B9R1.69 CC1=C(N)C=CC(Br)=C1 15188 [0,2,0,0,0,0|1,0,0]=3 1446 B9R1.69 CC1=C(N)C=CC(Br)=C1 3800 [0,2,0,0,0,0|1,0,0]=3 1447 B9R1.69 CC1=C(N)C=CC(Br)=C1 3803 [0,2,0,0,0,0|1,0,0]=3 1448 B9R1.69 CC1=C(N)C=CC(Br)=N1 1117 [0,2,0,0,0,0|2,0,0]=4 1449 B9R1.69 CC1=C(N)C=CC(Cl)=C1 10759 [0,2,0,0,0,0|1,0,0]=3 1450 B9R1.69 CC1=C(N)C=CC(F)=C1 1508 [0,2,0,0,0,0|1,0,0]=3 1451 B9R1.69 CC1=C(N)C=CC(I)=C1 3318 [0,2,0,0,0,0|1,0,0]=3 1452 B9R1.69 CC1=C(N)C=CC(N)=N1 5495 [0,2,0,0,0,0|2,0,0]=4 1453 B9R1.69 CC1=C(N)C=CC(O)=C1 22012 [0,2,0,0,0,0|0,0,0]=2 1454 B9R1.69 CC1=C(N)C=NC(F)=C1 17516 [0,2,0,0,0,0|2,0,0]=4 1455 B9R1.69 CC1=C(O)C=C(Br)C=C1 4132 [0,2,0,0,0,0|0,0,0]=2 1456 B9R1.69 CC1=C(O)C=C(Cl)C=C1 3674 [0,2,0,0,0,0|0,0,0]=2 1457 B9R1.69 CC1=C(O)C=C(F)C=C1 1502 [0,2,0,0,0,0|0,0,0]=2 1458 B9R1.69 CC1=C(O)C=C(N)C=C1 8207 [0,2,0,0,0,0|0,0,0]=2 1459 B9R1.69 CC1=C(O)C=C(O)C=C1 27666 [0,2,0,0,0,0|0,0,0]=2 1460 B9R1.69 CC1=C(O)C=CC(Br)=C1 7106 [0,2,0,0,0,0|0,0,0]=2 1461 B9R1.69 CC1=C(O)C=CC(Cl)=C1 3673 [0,2,0,0,0,0|0,0,0]=2 1462 B9R1.69 CC1=C(O)C=CC(F)=C1 1500 [0,2,0,0,0,0|0,0,0]=2 1463 B9R1.69 CC1=C(O)C=CC(S)=C1 6863 [0,2,0,0,0,0|0,0,0]=2 1464 B9R1.69 CC1=C(S)C=C(Cl)C=C1 6881 [0,2,0,0,0,0|0,1,0]=3 1465 B9R1.69 CC1=C(S)C=CC(F)=C1 6870 [0,2,0,0,0,0|0,1,0]=3 1466 B9R1.69 CC1=CC(=O)C=CC1=O 14604 [0,2,0,0,0,0|0,0,1]=3 1467 B9R1.69 CC1=CC(Br)=C(Br)C=C1 3930 [0,2,0,0,0,0|1,0,0]=3 1468 B9R1.69 CC1=CC(Br)=C(C)C=C1 3763 [0,2,0,0,0,0|1,0,0]=3 1469 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 3602 [0,2,0,0,0,0|1,0,0]=3 1470 B9R1.69 CC1=CC(Br)=C(F)C=C1 1600 [0,2,0,0,0,0|1,0,0]=3 1471 B9R1.69 CC1=CC(Br)=C(I)C=C1 3792 [0,2,0,0,0,0|1,0,0]=3 1472 B9R1.69 CC1=CC(Br)=C(N)C=C1 3799 [0,2,0,0,0,0|1,0,0]=3 1473 B9R1.69 CC1=CC(Br)=C(N)C=C1 3802 [0,2,0,0,0,0|1,0,0]=3 1474 B9R1.69 CC1=CC(Br)=C(O)C=C1 4096 [0,2,0,0,0,0|0,0,0]=2 1475 B9R1.69 CC1=CC(Br)=C(O)C=N1 30312 [0,2,0,0,0,0|1,0,0]=3 1476 B9R1.69 CC1=CC(Br)=CN=C1Br 1138 [0,2,0,0,0,0|2,0,0]=4 1477 B9R1.69 CC1=CC(Br)=CN=C1Cl 1104 [0,2,0,0,0,0|2,0,0]=4 1478 B9R1.69 CC1=CC(Br)=CN=C1F 1136 [0,2,0,0,0,0|2,0,0]=4 1479 B9R1.69 CC1=CC(Br)=CN=C1I 6573 [0,2,0,0,0,0|2,0,0]=4 1480 B9R1.69 CC1=CC(Br)=CN=C1N 1236 [0,2,0,0,0,0|2,0,0]=4 1481 B9R1.69 CC1=CC(Br)=CN=C1O 6562 [0,2,0,0,0,0|1,0,0]=3 1482 B9R1.69 CC1=CC(Br)=NC=C1Br 2411 [0,2,0,0,0,0|2,0,0]=4 1483 B9R1.69 CC1=CC(Br)=NC=C1N 5960 [0,2,0,0,0,0|2,0,0]=4 1484 B9R1.69 CC1=CC(C)=C(Br)C=C1 3762 [0,2,0,0,0,0|1,0,0]=3 1485 B9R1.69 CC1=CC(C)=C(Cl)C=C1 3639 [0,2,0,0,0,0|1,0,0]=3 1486 B9R1.69 CC1=CC(C)=C(I)C=C1 3869 [0,2,0,0,0,0|1,0,0]=3 1487 B9R1.69 CC1=CC(C)=C(N)C=C1 15152 [0,2,0,0,0,0|1,0,0]=3 1488 B9R1.69 CC1=CC(C)=C(N)C=N1 25045 [0,2,0,0,0,0|2,0,0]=4 1489 B9R1.69 CC1=CC(C)=C(O)C=C1 21747 [0,2,0,0,0,0|0,0,0]=2 1490 B9R1.69 CC1=CC(C)=C(S)C=C1 6810 [0,2,0,0,0,0|0,1,0]=3 1491 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 9504 [0,2,0,0,0,0|1,0,0]=3 1492 B9R1.69 CC1=CC(Cl)=C(C)C=C1 3640 [0,2,0,0,0,0|1,0,0]=3 1493 B9R1.69 CC1=CC(Cl)=C(F)C=C1 3436 [0,2,0,0,0,0|1,0,0]=3 1494 B9R1.69 CC1=CC(Cl)=C(I)C=C1 3656 [0,2,0,0,0,0|1,0,0]=3 1495 B9R1.69 CC1=CC(Cl)=C(N)C=C1 2472 [0,2,0,0,0,0|1,0,0]=3 1496 B9R1.69 CC1=CC(Cl)=C(O)C=C1 3672 [0,2,0,0,0,0|0,0,0]=2 1497 B9R1.69 CC1=CC(Cl)=CN=C1Br 1285 [0,2,0,0,0,0|2,0,0]=4 1498 B9R1.69 CC1=CC(Cl)=CN=C1Cl 15129 [0,2,0,0,0,0|2,0,0]=4 1499 B9R1.69 CC1=CC(Cl)=CN=C1F 6318 [0,2,0,0,0,0|2,0,0]=4 1500 B9R1.69 CC1=CC(Cl)=CN=C1N 1243 [0,2,0,0,0,0|2,0,0]=4 1501 B9R1.69 CC1=CC(Cl)=CN=C1O 9824 [0,2,0,0,0,0|1,0,0]=3 1502 B9R1.69 CC1=CC(Cl)=NC=C1Br 6207 [0,2,0,0,0,0|2,0,0]=4 1503 B9R1.69 CC1=CC(Cl)=NC=C1Cl 15130 [0,2,0,0,0,0|2,0,0]=4 1504 B9R1.69 CC1=CC(Cl)=NC=C1F 10460 [0,2,0,0,0,0|2,0,0]=4 1505 B9R1.69 CC1=CC(Cl)=NC=C1I 13517 [0,2,0,0,0,0|2,0,0]=4 1506 B9R1.69 CC1=CC(Cl)=NC=C1N 6206 [0,2,0,0,0,0|2,0,0]=4 1507 B9R1.69 CC1=CC(F)=C(Br)C=C1 1604 [0,2,0,0,0,0|1,0,0]=3 1508 B9R1.69 CC1=CC(F)=C(C)C=C1 35429 [0,2,0,0,0,0|1,0,0]=3 1509 B9R1.69 CC1=CC(F)=C(Cl)C=C1 1611 [0,2,0,0,0,0|1,0,0]=3 1510 B9R1.69 CC1=CC(F)=C(F)C=C1 1615 [0,2,0,0,0,0|1,0,0]=3 1511 B9R1.69 CC1=CC(F)=C(I)C=C1 1621 [0,2,0,0,0,0|1,0,0]=3 1512 B9R1.69 CC1=CC(F)=C(N)C=C1 1511 [0,2,0,0,0,0|1,0,0]=3 1513 B9R1.69 CC1=CC(F)=CN=C1Br 5965 [0,2,0,0,0,0|2,0,0]=4 1514 B9R1.69 CC1=CC(F)=CN=C1Cl 6220 [0,2,0,0,0,0|2,0,0]=4 1515 B9R1.69 CC1=CC(F)=CN=C1N 17148 [0,2,0,0,0,0|2,0,0]=4 1516 B9R1.69 CC1=CC(F)=NC=C1Br 3547 [0,2,0,0,0,0|2,0,0]=4 1517 B9R1.69 CC1=CC(F)=NC=C1Cl 15262 [0,2,0,0,0,0|2,0,0]=4 1518 B9R1.69 CC1=CC(F)=NC=C1I 13514 [0,2,0,0,0,0|2,0,0]=4 1519 B9R1.69 CC1=CC(I)=C(C)C=C1 3875 [0,2,0,0,0,0|1,0,0]=3 1520 B9R1.69 CC1=CC(I)=C(F)C=C1 1623 [0,2,0,0,0,0|1,0,0]=3 1521 B9R1.69 CC1=CC(I)=C(N)C=C1 5353 [0,2,0,0,0,0|1,0,0]=3 1522 B9R1.69 CC1=CC(I)=CN=C1Br 5968 [0,2,0,0,0,0|2,0,0]=4 1523 B9R1.69 CC1=CC(I)=CN=C1Cl 6221 [0,2,0,0,0,0|2,0,0]=4 1524 B9R1.69 CC1=CC(I)=CN=C1F 6322 [0,2,0,0,0,0|2,0,0]=4 1525 B9R1.69 CC1=CC(I)=CN=C1N 1264 [0,2,0,0,0,0|2,0,0]=4 1526 B9R1.69 CC1=CC(N)=C(Br)C=C1 4337 [0,2,0,0,0,0|1,0,0]=3 1527 B9R1.69 CC1=CC(N)=C(Cl)C=C1 18921 [0,2,0,0,0,0|1,0,0]=3 1528 B9R1.69 CC1=CC(N)=C(F)C=C1 1507 [0,2,0,0,0,0|1,0,0]=3 1529 B9R1.69 CC1=CC(N)=C(I)C=C1 20232 [0,2,0,0,0,0|1,0,0]=3 1530 B9R1.69 CC1=CC(N)=C(N)C=C1 19699 [0,2,0,0,0,0|1,0,0]=3 1531 B9R1.69 CC1=CC(N)=C(N)C=N1 17738 [0,2,0,0,0,0|2,0,0]=4 1532 B9R1.69 CC1=CC(N)=C(S)C=C1 24155 [0,2,0,0,0,0|0,1,0]=3 1533 B9R1.69 CC1=CC(N)=CN=C1Br 1129 [0,2,0,0,0,0|2,0,0]=4 1534 B9R1.69 CC1=CC(N)=CN=C1Cl 1247 [0,2,0,0,0,0|2,0,0]=4 1535 B9R1.69 CC1=CC(N)=CN=C1F 1258 [0,2,0,0,0,0|2,0,0]=4 1536 B9R1.69 CC1=CC(N)=CN=C1N 5492 [0,2,0,0,0,0|2,0,0]=4 1537 B9R1.69 CC1=CC(N)=NC=C1Br 2241 [0,2,0,0,0,0|2,0,0]=4 1538 B9R1.69 CC1=CC(N)=NC=C1Cl 5717 [0,2,0,0,0,0|2,0,0]=4 1539 B9R1.69 CC1=CC(N)=NC=C1F 1256 [0,2,0,0,0,0|2,0,0]=4 1540 B9R1.69 CC1=CC(N)=NC=C1I 9289 [0,2,0,0,0,0|2,0,0]=4 1541 B9R1.69 CC1=CC(N)=NC=C1N 5494 [0,2,0,0,0,0|2,0,0]=4 1542 B9R1.69 CC1=CC(O)=C(Br)C=C1 25283 [0,2,0,0,0,0|0,0,0]=2 1543 B9R1.69 CC1=CC(O)=C(C)C=C1 21763 [0,2,0,0,0,0|0,0,0]=2 1544 B9R1.69 CC1=CC(O)=C(Cl)C=C1 3668 [0,2,0,0,0,0|0,0,0]=2 1545 B9R1.69 CC1=CC(O)=C(F)C=C1 1498 [0,2,0,0,0,0|0,0,0]=2 1546 B9R1.69 CC1=CC(O)=C(N)C=C1 11254 [0,2,0,0,0,0|0,0,0]=2 1547 B9R1.69 CC1=CC(O)=CN=C1Br 5966 [0,2,0,0,0,0|1,0,0]=3 1548 B9R1.69 CC1=CC(O)=CN=C1Cl 12478 [0,2,0,0,0,0|1,0,0]=3 1549 B9R1.69 CC1=CC(O)=CN=C1F 6320 [0,2,0,0,0,0|1,0,0]=3 1550 B9R1.69 CC1=CC(O)=NC=C1Br 6564 [0,2,0,0,0,0|1,0,0]=3 1551 B9R1.69 CC1=CC(O)=NC=C1N 6706 [0,2,0,0,0,0|1,0,0]=3 1552 B9R1.69 CC1=CC(S)=C(C)C=C1 6811 [0,2,0,0,0,0|0,1,0]=3 1553 B9R1.69 CC1=CC(S)=C(N)C=C1 18333 [0,2,0,0,0,0|0,1,0]=3 1554 B9R1.69 CC1=CC=C(Br)C(Br)=N1 5401 [0,2,0,0,0,0|2,0,0]=4 1555 B9R1.69 CC1=CC=C(Br)C(C)=N1 13806 [0,2,0,0,0,0|2,0,0]=4 1556 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 1286 [0,2,0,0,0,0|2,0,0]=4 1557 B9R1.69 CC1=CC=C(Br)C(F)=N1 6256 [0,2,0,0,0,0|2,0,0]=4 1558 B9R1.69 CC1=CC=C(Br)C(N)=N1 1235 [0,2,0,0,0,0|2,0,0]=4 1559 B9R1.69 CC1=CC=C(Br)C(O)=N1 6531 [0,2,0,0,0,0|1,0,0]=3 1560 B9R1.69 CC1=CC=C(Br)N=C1N 31947 [0,2,0,0,0,0|2,0,0]=4 1561 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 5410 [0,2,0,0,0,0|2,0,0]=4 1562 B9R1.69 CC1=CC=C(Cl)N=C1Cl 24157 [0,2,0,0,0,0|2,0,0]=4 1563 B9R1.69 CC1=CC=C(F)C(Br)=N1 3001 [0,2,0,0,0,0|2,0,0]=4 1564 B9R1.69 CC1=CC=C(F)C(Cl)=N1 1137 [0,2,0,0,0,0|2,0,0]=4 1565 B9R1.69 CC1=CC=C(I)C(F)=N1 17063 [0,2,0,0,0,0|2,0,0]=4 1566 B9R1.69 CC1=CC=C(I)C(N)=N1 17046 [0,2,0,0,0,0|2,0,0]=4 1567 B9R1.69 CC1=CC=C(N)C(Br)=N1 1239 [0,2,0,0,0,0|2,0,0]=4 1568 B9R1.69 CC1=CC=C(N)C(Br)=N1 29222 [0,2,0,0,0,0|2,0,0]=4 1569 B9R1.69 CC1=CC=C(N)C(C)=N1 2075 [0,2,0,0,0,0|2,0,0]=4 1570 B9R1.69 CC1=CC=C(N)C(Cl)=N1 1245 [0,2,0,0,0,0|2,0,0]=4 1571 B9R1.69 CC1=CC=C(N)C(F)=N1 1132 [0,2,0,0,0,0|2,0,0]=4 1572 B9R1.69 CC1=CC=C(N)C(N)=N1 5393 [0,2,0,0,0,0|2,0,0]=4 1573 B9R1.69 CC1=CC=C(O)C(Br)=N1 5906 [0,2,0,0,0,0|1,0,0]=3 1574 B9R1.69 CC1=CC=C(O)C(C)=N1 22495 [0,2,0,0,0,0|1,0,0]=3 1575 B9R1.69 CC1=CC=C(O)C(Cl)=N1 6143 [0,2,0,0,0,0|1,0,0]=3 1576 B9R1.69 CC1=CC=C(O)C(F)=N1 6285 [0,2,0,0,0,0|1,0,0]=3 1577 B9R1.69 CC1=CC=C(O)C(I)=N1 6570 [0,2,0,0,0,0|1,0,0]=3 1578 B9R1.69 CC1=CC=C(O)C(N)=N1 5622 [0,2,0,0,0,0|1,0,0]=3 1579 B9R1.69 CC1=CN=C(Br)C(Br)=C1 5399 [0,2,0,0,0,0|2,0,0]=4 1580 B9R1.69 CC1=CN=C(Br)C(C)=C1 16831 [0,2,0,0,0,0|2,0,0]=4 1581 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 5775 [0,2,0,0,0,0|2,0,0]=4 1582 B9R1.69 CC1=CN=C(Br)C(F)=C1 21377 [0,2,0,0,0,0|2,0,0]=4 1583 B9R1.69 CC1=CN=C(Br)C(I)=C1 5912 [0,2,0,0,0,0|2,0,0]=4 1584 B9R1.69 CC1=CN=C(Br)C(N)=C1 5762 [0,2,0,0,0,0|2,0,0]=4 1585 B9R1.69 CC1=CN=C(Br)C(O)=C1 5904 [0,2,0,0,0,0|1,0,0]=3 1586 B9R1.69 CC1=CN=C(C)C(Br)=C1 35361 [0,2,0,0,0,0|2,0,0]=4 1587 B9R1.69 CC1=CN=C(C)C(C)=C1 15901 [0,2,0,0,0,0|2,0,0]=4 1588 B9R1.69 CC1=CN=C(C)C=C1Br 45193 [0,2,0,0,0,0|2,0,0]=4 1589 B9R1.69 CC1=CN=C(C)N=C1O 26180 [0,2,0,0,0,0|2,0,0]=4 1590 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 1167 [0,2,0,0,0,0|2,0,0]=4 1591 B9R1.69 CC1=CN=C(Cl)C(Cl)=C1 5409 [0,2,0,0,0,0|2,0,0]=4 1592 B9R1.69 CC1=CN=C(Cl)C(F)=C1 14231 [0,2,0,0,0,0|2,0,0]=4 1593 B9R1.69 CC1=CN=C(Cl)C(I)=C1 6144 [0,2,0,0,0,0|2,0,0]=4 1594 B9R1.69 CC1=CN=C(Cl)C(N)=C1 1152 [0,2,0,0,0,0|2,0,0]=4 1595 B9R1.69 CC1=CN=C(Cl)C(O)=C1 6141 [0,2,0,0,0,0|1,0,0]=3 1596 B9R1.69 CC1=CN=C(Cl)C=C1Cl 5464 [0,2,0,0,0,0|2,0,0]=4 1597 B9R1.69 CC1=CN=C(Cl)C=C1I 27337 [0,2,0,0,0,0|2,0,0]=4 1598 B9R1.69 CC1=CN=C(F)C(Br)=C1 6249 [0,2,0,0,0,0|2,0,0]=4 1599 B9R1.69 CC1=CN=C(F)C(F)=C1 22307 [0,2,0,0,0,0|2,0,0]=4 1600 B9R1.69 CC1=CN=C(F)C(I)=C1 1304 [0,2,0,0,0,0|2,0,0]=4 1601 B9R1.69 CC1=CN=C(F)C=C1Br 36220 [0,2,0,0,0,0|2,0,0]=4 1602 B9R1.69 CC1=CN=C(F)C=C1I 1305 [0,2,0,0,0,0|2,0,0]=4 1603 B9R1.69 CC1=CN=C(N)C(Br)=C1 2240 [0,2,0,0,0,0|2,0,0]=4 1604 B9R1.69 CC1=CN=C(N)C(Cl)=C1 10522 [0,2,0,0,0,0|2,0,0]=4 1605 B9R1.69 CC1=CN=C(N)C(I)=C1 26706 [0,2,0,0,0,0|2,0,0]=4 1606 B9R1.69 CC1=CN=C(N)C(O)=C1 5621 [0,2,0,0,0,0|1,0,0]=3 1607 B9R1.69 CC1=CN=C(O)C(Br)=C1 6529 [0,2,0,0,0,0|1,0,0]=3 1608 B9R1.69 CC1=CN=C(O)C(I)=C1 26967 [0,2,0,0,0,0|1,0,0]=3 1609 B9R1.69 CC1=CN=C(O)C(N)=C1 6518 [0,2,0,0,0,0|1,0,0]=3 1610 B9R1.69 CC1=CN=C(O)N=C1O 9313 [0,2,0,0,0,0|2,0,0]=4 1611 B9R1.69 CC1=NC(Br)=CC=C1Br 3580 [0,2,0,0,0,0|2,0,0]=4 1612 B9R1.69 CC1=NC(Br)=CC=C1Cl 27063 [0,2,0,0,0,0|2,0,0]=4 1613 B9R1.69 CC1=NC(Cl)=CC=C1N 1246 [0,2,0,0,0,0|2,0,0]=4 1614 B9R1.69 CC1=NC(F)=CC=C1N 1131 [0,2,0,0,0,0|2,0,0]=4 1615 B9R1.69 CC1=NC=C(Br)C(Cl)=C1 6670 [0,2,0,0,0,0|2,0,0]=4 1616 B9R1.69 CC1=NC=C(Br)C=C1Br 16457 [0,2,0,0,0,0|2,0,0]=4 1617 B9R1.69 CC1=NC=C(Br)C=C1Cl 27884 [0,2,0,0,0,0|2,0,0]=4 1618 B9R1.69 CC1=NC=C(Br)C=C1F 27017 [0,2,0,0,0,0|2,0,0]=4 1619 B9R1.69 CC1=NC=C(Br)C=C1N 17523 [0,2,0,0,0,0|2,0,0]=4 1620 B9R1.69 CC1=NC=C(F)C(Cl)=C1 6671 [0,2,0,0,0,0|2,0,0]=4 1621 B9R1.69 CC1=NC=C(O)C=C1Br 6702 [0,2,0,0,0,0|1,0,0]=3 1622 B9R1.69 CN1C=C(Br)C=CC1=O 33527 [0,2,0,0,0,0|1,0,1]=4 1623 B9R1.69 CN1C=C(N)C=CC1=O 27642 [0,2,0,0,0,0|1,0,1]=4 1624 B9R1.69 CN1C=CC(Br)=CC1=O 27776 [0,2,0,0,0,0|1,0,1]=4 1625 B9R1.69 CN1C=CC(I)=CC1=O 27673 [0,2,0,0,0,0|1,0,1]=4 1626 B9R1.69 CN1N=C(O)C=CC1=O 9498 [0,2,0,0,0,0|2,0,0]=4 1627 B9R1.69 ClC1=C(Br)C=CC(Br)=C1 3633 [0,2,0,0,0,0|1,0,0]=3 1628 B9R1.69 ClC1=C(Br)C=CC(I)=C1 16805 [0,2,0,0,0,0|1,0,0]=3 1629 B9R1.69 ClC1=C(Cl)C=C(Br)C=C1 3611 [0,2,0,0,0,0|1,0,0]=3 1630 B9R1.69 ClC1=C(Cl)C=C(I)C=C1 3691 [0,2,0,0,0,0|1,0,0]=3 1631 B9R1.69 ClC1=C(I)C=C(Br)C=C1 35933 [0,2,0,0,0,0|1,0,0]=3 1632 B9R1.69 ClC1=C(I)C=CC(Br)=C1 3592 [0,2,0,0,0,0|1,0,0]=3 1633 B9R1.69 ClC1=C(I)C=CC(I)=C1 24307 [0,2,0,0,0,0|1,0,0]=3 1634 B9R1.69 ClC1=CC(Br)=C(Cl)C=C1 3609 [0,2,0,0,0,0|1,0,0]=3 1635 B9R1.69 ClC1=CC(Br)=CN=C1Br 17521 [0,2,0,0,0,0|2,0,0]=4 1636 B9R1.69 ClC1=CC(Br)=CN=C1Cl 1174 [0,2,0,0,0,0|2,0,0]=4 1637 B9R1.69 ClC1=CC(Cl)=C(Br)C=C1 3608 [0,2,0,0,0,0|1,0,0]=3 1638 B9R1.69 ClC1=CC(Cl)=C(I)C=C1 3692 [0,2,0,0,0,0|1,0,0]=3 1639 B9R1.69 ClC1=CC(Cl)=NC=C1Br 13542 [0,2,0,0,0,0|2,0,0]=4 1640 B9R1.69 ClC1=CC(Cl)=NC=C1I 13544 [0,2,0,0,0,0|2,0,0]=4 1641 B9R1.69 ClC1=CC(I)=C(Cl)C=C1 3694 [0,2,0,0,0,0|1,0,0]=3 1642 B9R1.69 ClC1=CC(I)=CN=C1Cl 5407 [0,2,0,0,0,0|2,0,0]=4 1643 B9R1.69 ClC1=CC=C(Br)C(Br)=N1 34670 [0,2,0,0,0,0|2,0,0]=4 1644 B9R1.69 ClC1=CC=C(Br)C(Cl)=N1 15140 [0,2,0,0,0,0|2,0,0]=4 1645 B9R1.69 ClC1=CC=C(Cl)C(Cl)=N1 9782 [0,2,0,0,0,0|2,0,0]=4 1646 B9R1.69 ClC1=CC=C(I)C(Cl)=N1 14239 [0,2,0,0,0,0|2,0,0]=4 1647 B9R1.69 ClC1=CN=C(Br)C(Br)=C1 5397 [0,2,0,0,0,0|2,0,0]=4 1648 B9R1.69 ClC1=CN=C(Br)C(Cl)=C1 10223 [0,2,0,0,0,0|2,0,0]=4 1649 B9R1.69 ClC1=CN=C(Cl)C(Br)=C1 1173 [0,2,0,0,0,0|2,0,0]=4 1650 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 1127 [0,2,0,0,0,0|2,0,0]=4 1651 B9R1.69 ClC1=CN=C(Cl)C=C1Br 13541 [0,2,0,0,0,0|2,0,0]=4 1652 B9R1.69 ClC1=CN=C(Cl)C=C1Cl 22309 [0,2,0,0,0,0|2,0,0]=4 1653 B9R1.69 ClC1=CN=C(Cl)C=C1I 13546 [0,2,0,0,0,0|2,0,0]=4 1654 B9R1.69 ClC1=NC(Br)=CC=C1Br 31881 [0,2,0,0,0,0|2,0,0]=4 1655 B9R1.69 ClC1=NC=C(Br)C=C1Br 6101 [0,2,0,0,0,0|2,0,0]=4 1656 B9R1.69 ClC1=NC=C(Br)C=C1I 26899 [0,2,0,0,0,0|2,0,0]=4 1657 B9R1.69 Clc1cc(I)ccc1Br 4272 [0,2,0,0,0,0|1,0,0]=3 1658 B9R1.69 Clc1ccc(I)c(Br)c1 27432 [0,2,0,0,0,0|1,0,0]=3 1659 B9R1.69 FC1=C(Br)C=C(Br)C=C1 3446 [0,2,0,0,0,0|1,0,0]=3 1660 B9R1.69 FC1=C(Br)C=C(Cl)C=C1 3210 [0,2,0,0,0,0|1,0,0]=3 1661 B9R1.69 FC1=C(Br)C=C(I)C=C1 13485 [0,2,0,0,0,0|1,0,0]=3 1662 B9R1.69 FC1=C(Br)C=CC(Br)=C1 3448 [0,2,0,0,0,0|1,0,0]=3 1663 B9R1.69 FC1=C(Br)C=CC(Cl)=C1 3209 [0,2,0,0,0,0|1,0,0]=3 1664 B9R1.69 FC1=C(Br)C=CC(I)=C1 3231 [0,2,0,0,0,0|1,0,0]=3 1665 B9R1.69 FC1=C(Cl)C=C(Br)C=C1 2169 [0,2,0,0,0,0|1,0,0]=3 1666 B9R1.69 FC1=C(Cl)C=C(Cl)C=C1 2312 [0,2,0,0,0,0|1,0,0]=3 1667 B9R1.69 FC1=C(Cl)C=C(I)C=C1 3433 [0,2,0,0,0,0|1,0,0]=3 1668 B9R1.69 FC1=C(Cl)C=C(S)C=C1 2857 [0,2,0,0,0,0|0,1,0]=3 1669 B9R1.69 FC1=C(Cl)C=CC(Br)=C1 2255 [0,2,0,0,0,0|1,0,0]=3 1670 B9R1.69 FC1=C(Cl)C=CC(Cl)=C1 3454 [0,2,0,0,0,0|1,0,0]=3 1671 B9R1.69 FC1=C(Cl)C=CC(I)=C1 9517 [0,2,0,0,0,0|1,0,0]=3 1672 B9R1.69 FC1=C(F)C=C(Br)C=C1 2303 [0,2,0,0,0,0|1,0,0]=3 1673 B9R1.69 FC1=C(F)C=C(Cl)C=C1 3417 [0,2,0,0,0,0|1,0,0]=3 1674 B9R1.69 FC1=C(F)C=C(I)C=C1 3461 [0,2,0,0,0,0|1,0,0]=3 1675 B9R1.69 FC1=C(F)C=C(S)C=C1 6772 [0,2,0,0,0,0|0,1,0]=3 1676 B9R1.69 FC1=C(I)C=C(Br)C=C1 4294 [0,2,0,0,0,0|1,0,0]=3 1677 B9R1.69 FC1=C(I)C=C(Cl)C=C1 8538 [0,2,0,0,0,0|1,0,0]=3 1678 B9R1.69 FC1=C(I)C=CC(Br)=C1 3232 [0,2,0,0,0,0|1,0,0]=3 1679 B9R1.69 FC1=C(I)C=CC(I)=C1 4404 [0,2,0,0,0,0|1,0,0]=3 1680 B9R1.69 FC1=C(S)C=CC(Br)=C1 28392 [0,2,0,0,0,0|0,1,0]=3 1681 B9R1.69 FC1=CC(Br)=C(Br)C=C1 3445 [0,2,0,0,0,0|1,0,0]=3 1682 B9R1.69 FC1=CC(Br)=C(F)C=C1 2302 [0,2,0,0,0,0|1,0,0]=3 1683 B9R1.69 FC1=CC(Br)=C(I)C=C1 3234 [0,2,0,0,0,0|1,0,0]=3 1684 B9R1.69 FC1=CC(Br)=CN=C1Br 17547 [0,2,0,0,0,0|2,0,0]=4 1685 B9R1.69 FC1=CC(Br)=CN=C1Cl 1163 [0,2,0,0,0,0|2,0,0]=4 1686 B9R1.69 FC1=CC(Br)=CN=C1F 1292 [0,2,0,0,0,0|2,0,0]=4 1687 B9R1.69 FC1=CC(Cl)=C(Br)C=C1 3755 [0,2,0,0,0,0|1,0,0]=3 1688 B9R1.69 FC1=CC(Cl)=C(Cl)C=C1 3453 [0,2,0,0,0,0|1,0,0]=3 1689 B9R1.69 FC1=CC(Cl)=C(F)C=C1 8529 [0,2,0,0,0,0|1,0,0]=3 1690 B9R1.69 FC1=CC(Cl)=C(I)C=C1 3434 [0,2,0,0,0,0|1,0,0]=3 1691 B9R1.69 FC1=CC(Cl)=C(S)C=C1 2850 [0,2,0,0,0,0|0,1,0]=3 1692 B9R1.69 FC1=CC(Cl)=CN=C1Br 14529 [0,2,0,0,0,0|2,0,0]=4 1693 B9R1.69 FC1=CC(Cl)=CN=C1Cl 17526 [0,2,0,0,0,0|2,0,0]=4 1694 B9R1.69 FC1=CC(Cl)=CN=C1F 5411 [0,2,0,0,0,0|2,0,0]=4 1695 B9R1.69 FC1=CC(F)=C(Br)C=C1 2301 [0,2,0,0,0,0|1,0,0]=3 1696 B9R1.69 FC1=CC(F)=C(Cl)C=C1 3415 [0,2,0,0,0,0|1,0,0]=3 1697 B9R1.69 FC1=CC(F)=C(F)C=C1 1068 [0,2,0,0,0,0|1,0,0]=3 1698 B9R1.69 FC1=CC(F)=C(I)C=C1 3463 [0,2,0,0,0,0|1,0,0]=3 1699 B9R1.69 FC1=CC(F)=C(S)C=C1 2875 [0,2,0,0,0,0|0,1,0]=3 1700 B9R1.69 FC1=CC(I)=C(Br)C=C1 3233 [0,2,0,0,0,0|1,0,0]=3 1701 B9R1.69 FC1=CC(I)=C(Cl)C=C1 3432 [0,2,0,0,0,0|1,0,0]=3 1702 B9R1.69 FC1=CC(I)=C(F)C=C1 4402 [0,2,0,0,0,0|1,0,0]=3 1703 B9R1.69 FC1=CC(S)=C(F)C=C1 6873 [0,2,0,0,0,0|0,1,0]=3 1704 B9R1.69 FC1=CC=C(Cl)C(F)=C1 4271 [0,2,0,0,0,0|1,0,0]=3 1705 B9R1.69 FC1=CC=C(Cl)C=C1F 4274 [0,2,0,0,0,0|1,0,0]=3 1706 B9R1.69 FC1=CC=C(Cl)N=C1Cl 15136 [0,2,0,0,0,0|2,0,0]=4 1707 B9R1.69 FC1=CC=C(F)C(F)=N1 7955 [0,2,0,0,0,0|2,0,0]=4 1708 B9R1.69 FC1=CN=C(Br)C(Br)=C1 21379 [0,2,0,0,0,0|2,0,0]=4 1709 B9R1.69 FC1=CN=C(Br)C(F)=C1 4046 [0,2,0,0,0,0|2,0,0]=4 1710 B9R1.69 FC1=CN=C(Cl)C(Br)=C1 1102 [0,2,0,0,0,0|2,0,0]=4 1711 B9R1.69 FC1=CN=C(Cl)C(Cl)=C1 36219 [0,2,0,0,0,0|2,0,0]=4 1712 B9R1.69 FC1=CN=C(Cl)C(I)=C1 10593 [0,2,0,0,0,0|2,0,0]=4 1713 B9R1.69 FC1=CN=C(Cl)C=C1Br 1282 [0,2,0,0,0,0|2,0,0]=4 1714 B9R1.69 FC1=CN=C(Cl)C=C1I 6183 [0,2,0,0,0,0|2,0,0]=4 1715 B9R1.69 FC1=CN=C(F)C(F)=C1 8020 [0,2,0,0,0,0|2,0,0]=4 1716 B9R1.69 FC1=CN=C(F)C=C1I 22303 [0,2,0,0,0,0|2,0,0]=4 1717 B9R1.69 FC1=NC=C(Br)C(Cl)=C1 13550 [0,2,0,0,0,0|2,0,0]=4 1718 B9R1.69 FC1=NC=C(Br)C=C1Br 13502 [0,2,0,0,0,0|2,0,0]=4 1719 B9R1.69 FC1=NC=C(Br)C=C1Cl 6259 [0,2,0,0,0,0|2,0,0]=4 1720 B9R1.69 FC1=NC=C(Cl)C(I)=C1 6316 [0,2,0,0,0,0|2,0,0]=4 1721 B9R1.69 FC1=NC=C(Cl)C=C1Br 1162 [0,2,0,0,0,0|2,0,0]=4 1722 B9R1.69 FC1=NC=C(Cl)C=C1Cl 6240 [0,2,0,0,0,0|2,0,0]=4 1723 B9R1.69 FC1=NC=C(I)C(Cl)=C1 13548 [0,2,0,0,0,0|2,0,0]=4 1724 B9R1.69 Fc1cc(Cl)ccc1I 3435 [0,2,0,0,0,0|1,0,0]=3 1725 B9R1.69 Fc1cc(F)c(F)cn1 22313 [0,2,0,0,0,0|2,0,0]=4 1726 B9R1.69 Fc1ccc(Cl)c(Br)c1 4270 [0,2,0,0,0,0|1,0,0]=3 1727 B9R1.69 NC1=C(Br)C=C(Br)C=C1 3447 [0,2,0,0,0,0|1,0,0]=3 1728 B9R1.69 NC1=C(Br)C=C(Cl)C=C1 3576 [0,2,0,0,0,0|1,0,0]=3 1729 B9R1.69 NC1=C(Br)C=C(F)C=C1 2918 [0,2,0,0,0,0|1,0,0]=3 1730 B9R1.69 NC1=C(Br)C=C(I)C=C1 5331 [0,2,0,0,0,0|1,0,0]=3 1731 B9R1.69 NC1=C(Br)C=CC(Br)=C1 3452 [0,2,0,0,0,0|1,0,0]=3 1732 B9R1.69 NC1=C(Br)C=CC(Cl)=C1 3577 [0,2,0,0,0,0|1,0,0]=3 1733 B9R1.69 NC1=C(Br)C=CC(F)=C1 1524 [0,2,0,0,0,0|1,0,0]=3 1734 B9R1.69 NC1=C(Br)C=CC(O)=C1 32237 [0,2,0,0,0,0|0,0,0]=2 1735 B9R1.69 NC1=C(Cl)C=C(Br)C=C1 3578 [0,2,0,0,0,0|1,0,0]=3 1736 B9R1.69 NC1=C(Cl)C=C(Cl)C=C1 20789 [0,2,0,0,0,0|1,0,0]=3 1737 B9R1.69 NC1=C(Cl)C=C(F)C=C1 2943 [0,2,0,0,0,0|1,0,0]=3 1738 B9R1.69 NC1=C(Cl)C=C(I)C=C1 3811 [0,2,0,0,0,0|1,0,0]=3 1739 B9R1.69 NC1=C(Cl)C=C(O)C=C1 29212 [0,2,0,0,0,0|0,0,0]=2 1740 B9R1.69 NC1=C(Cl)C=C(O)C=C1 4513 [0,2,0,0,0,0|0,0,0]=2 1741 B9R1.69 NC1=C(Cl)C=CC(Cl)=C1 10755 [0,2,0,0,0,0|1,0,0]=3 1742 B9R1.69 NC1=C(Cl)C=CC(F)=C1 1517 [0,2,0,0,0,0|1,0,0]=3 1743 B9R1.69 NC1=C(F)C=C(Br)C=C1 1525 [0,2,0,0,0,0|1,0,0]=3 1744 B9R1.69 NC1=C(F)C=C(Br)C=C1 5316 [0,2,0,0,0,0|1,0,0]=3 1745 B9R1.69 NC1=C(F)C=C(Cl)C=C1 1514 [0,2,0,0,0,0|1,0,0]=3 1746 B9R1.69 NC1=C(F)C=C(F)C=C1 2294 [0,2,0,0,0,0|1,0,0]=3 1747 B9R1.69 NC1=C(F)C=C(I)C=C1 1532 [0,2,0,0,0,0|1,0,0]=3 1748 B9R1.69 NC1=C(F)C=C(O)C=C1 19088 [0,2,0,0,0,0|0,0,0]=2 1749 B9R1.69 NC1=C(F)C=C(O)C=C1 2832 [0,2,0,0,0,0|0,0,0]=2 1750 B9R1.69 NC1=C(F)C=C(S)C=C1 6878 [0,2,0,0,0,0|0,1,0]=3 1751 B9R1.69 NC1=C(F)C=CC(Br)=C1 13482 [0,2,0,0,0,0|1,0,0]=3 1752 B9R1.69 NC1=C(F)C=CC(Br)=C1 5319 [0,2,0,0,0,0|1,0,0]=3 1753 B9R1.69 NC1=C(F)C=CC(Cl)=C1 1515 [0,2,0,0,0,0|1,0,0]=3 1754 B9R1.69 NC1=C(F)C=CC(F)=C1 1531 [0,2,0,0,0,0|1,0,0]=3 1755 B9R1.69 NC1=C(F)C=CC(O)=C1 4776 [0,2,0,0,0,0|0,0,0]=2 1756 B9R1.69 NC1=C(I)C=C(Br)C=C1 3784 [0,2,0,0,0,0|1,0,0]=3 1757 B9R1.69 NC1=C(I)C=C(Cl)C=C1 3645 [0,2,0,0,0,0|1,0,0]=3 1758 B9R1.69 NC1=C(I)C=C(F)C=C1 3413 [0,2,0,0,0,0|1,0,0]=3 1759 B9R1.69 NC1=C(I)C=CC(Br)=C1 5332 [0,2,0,0,0,0|1,0,0]=3 1760 B9R1.69 NC1=C(I)C=CC(Cl)=C1 5286 [0,2,0,0,0,0|1,0,0]=3 1761 B9R1.69 NC1=C(I)C=CC(F)=C1 1535 [0,2,0,0,0,0|1,0,0]=3 1762 B9R1.69 NC1=C(N)C=C(Br)C=C1 4315 [0,2,0,0,0,0|1,0,0]=3 1763 B9R1.69 NC1=C(N)C=C(Cl)C=C1 4350 [0,2,0,0,0,0|1,0,0]=3 1764 B9R1.69 NC1=C(N)C=C(Cl)N=C1 9342 [0,2,0,0,0,0|2,0,0]=4 1765 B9R1.69 NC1=C(N)C=C(I)C=C1 28451 [0,2,0,0,0,0|1,0,0]=3 1766 B9R1.69 NC1=C(O)C=C(Br)C=C1 10469 [0,2,0,0,0,0|0,0,0]=2 1767 B9R1.69 NC1=C(O)C=C(Cl)C=C1 1478 [0,2,0,0,0,0|0,0,0]=2 1768 B9R1.69 NC1=C(O)C=C(F)C=C1 2828 [0,2,0,0,0,0|0,0,0]=2 1769 B9R1.69 NC1=C(O)C=C(O)C=C1 27733 [0,2,0,0,0,0|0,0,0]=2 1770 B9R1.69 NC1=C(O)C=CC(Br)=C1 4511 [0,2,0,0,0,0|0,0,0]=2 1771 B9R1.69 NC1=C(O)C=CC(F)=C1 2825 [0,2,0,0,0,0|0,0,0]=2 1772 B9R1.69 NC1=C(O)C=NC(Cl)=C1 24434 [0,2,0,0,0,0|1,0,0]=3 1773 B9R1.69 NC1=C(S)C=C(Br)C=C1 21899 [0,2,0,0,0,0|0,1,0]=3 1774 B9R1.69 NC1=C(S)C=C(Cl)C=C1 21806 [0,2,0,0,0,0|0,1,0]=3 1775 B9R1.69 NC1=C(S)C=C(F)C=C1 21900 [0,2,0,0,0,0|0,1,0]=3 1776 B9R1.69 NC1=C(S)C=CC(Cl)=C1 5427 [0,2,0,0,0,0|0,1,0]=3 1777 B9R1.69 NC1=CC(Br)=C(Cl)C=C1 5307 [0,2,0,0,0,0|1,0,0]=3 1778 B9R1.69 NC1=CC(Br)=C(F)C=C1 2924 [0,2,0,0,0,0|1,0,0]=3 1779 B9R1.69 NC1=CC(Br)=C(I)C=C1 5323 [0,2,0,0,0,0|1,0,0]=3 1780 B9R1.69 NC1=CC(Br)=C(N)C=C1 28448 [0,2,0,0,0,0|1,0,0]=3 1781 B9R1.69 NC1=CC(Br)=C(O)C=C1 31097 [0,2,0,0,0,0|0,0,0]=2 1782 B9R1.69 NC1=CC(Br)=CC=C1Cl 3132 [0,2,0,0,0,0|1,0,0]=3 1783 B9R1.69 NC1=CC(Br)=CN=C1Br 5499 [0,2,0,0,0,0|2,0,0]=4 1784 B9R1.69 NC1=CC(Br)=CN=C1Cl 1142 [0,2,0,0,0,0|2,0,0]=4 1785 B9R1.69 NC1=CC(Br)=CN=C1F 1146 [0,2,0,0,0,0|2,0,0]=4 1786 B9R1.69 NC1=CC(Br)=CN=C1N 5383 [0,2,0,0,0,0|2,0,0]=4 1787 B9R1.69 NC1=CC(Br)=CN=C1O 6513 [0,2,0,0,0,0|1,0,0]=3 1788 B9R1.69 NC1=CC(Cl)=C(Br)C=C1 3579 [0,2,0,0,0,0|1,0,0]=3 1789 B9R1.69 NC1=CC(Cl)=C(Cl)C=C1 2563 [0,2,0,0,0,0|1,0,0]=3 1790 B9R1.69 NC1=CC(Cl)=C(Cl)N=C1 1253 [0,2,0,0,0,0|2,0,0]=4 1791 B9R1.69 NC1=CC(Cl)=C(F)C=C1 2951 [0,2,0,0,0,0|1,0,0]=3 1792 B9R1.69 NC1=CC(Cl)=C(I)C=C1 3812 [0,2,0,0,0,0|1,0,0]=3 1793 B9R1.69 NC1=CC(Cl)=C(O)C=C1 18907 [0,2,0,0,0,0|0,0,0]=2 1794 B9R1.69 NC1=CC(Cl)=CN=C1Br 15171 [0,2,0,0,0,0|2,0,0]=4 1795 B9R1.69 NC1=CC(Cl)=CN=C1Cl 5507 [0,2,0,0,0,0|2,0,0]=4 1796 B9R1.69 NC1=CC(Cl)=CN=C1F 1150 [0,2,0,0,0,0|2,0,0]=4 1797 B9R1.69 NC1=CC(Cl)=CN=C1N 5388 [0,2,0,0,0,0|2,0,0]=4 1798 B9R1.69 NC1=CC(Cl)=CN=C1O 6515 [0,2,0,0,0,0|1,0,0]=3 1799 B9R1.69 NC1=CC(Cl)=NC=C1Br 19507 [0,2,0,0,0,0|2,0,0]=4 1800 B9R1.69 NC1=CC(Cl)=NC=C1F 45001 [0,2,0,0,0,0|2,0,0]=4 1801 B9R1.69 NC1=CC(Cl)=NC=C1I 36428 [0,2,0,0,0,0|2,0,0]=4 1802 B9R1.69 NC1=CC(F)=C(Br)C=C1 1526 [0,2,0,0,0,0|1,0,0]=3 1803 B9R1.69 NC1=CC(F)=C(Cl)C=C1 1516 [0,2,0,0,0,0|1,0,0]=3 1804 B9R1.69 NC1=CC(F)=C(F)C=C1 2295 [0,2,0,0,0,0|1,0,0]=3 1805 B9R1.69 NC1=CC(F)=C(I)C=C1 1534 [0,2,0,0,0,0|1,0,0]=3 1806 B9R1.69 NC1=CC(F)=C(O)C=C1 2831 [0,2,0,0,0,0|0,0,0]=2 1807 B9R1.69 NC1=CC(F)=CN=C1Br 1145 [0,2,0,0,0,0|2,0,0]=4 1808 B9R1.69 NC1=CC(F)=CN=C1Cl 34330 [0,2,0,0,0,0|2,0,0]=4 1809 B9R1.69 NC1=CC(F)=CN=C1N 5390 [0,2,0,0,0,0|2,0,0]=4 1810 B9R1.69 NC1=CC(I)=C(N)C=C1 13068 [0,2,0,0,0,0|1,0,0]=3 1811 B9R1.69 NC1=CC(N)=C(Br)C=C1 27515 [0,2,0,0,0,0|1,0,0]=3 1812 B9R1.69 NC1=CC(N)=C(F)C=C1 2538 [0,2,0,0,0,0|1,0,0]=3 1813 B9R1.69 NC1=CC(N)=NC=C1Br 23225 [0,2,0,0,0,0|2,0,0]=4 1814 B9R1.69 NC1=CC(O)=C(Cl)C=C1 21902 [0,2,0,0,0,0|0,0,0]=2 1815 B9R1.69 NC1=CC(O)=CN=C1O 5518 [0,2,0,0,0,0|1,0,0]=3 1816 B9R1.69 NC1=CC=C(Br)C(Br)=N1 24121 [0,2,0,0,0,0|2,0,0]=4 1817 B9R1.69 NC1=CC=C(Br)N=C1Br 9809 [0,2,0,0,0,0|2,0,0]=4 1818 B9R1.69 NC1=CC=C(Cl)N=C1Br 34363 [0,2,0,0,0,0|2,0,0]=4 1819 B9R1.69 NC1=CC=C(Cl)N=C1Cl 10384 [0,2,0,0,0,0|2,0,0]=4 1820 B9R1.69 NC1=CC=C(Cl)N=C1N 19958 [0,2,0,0,0,0|2,0,0]=4 1821 B9R1.69 NC1=CC=C(F)C=C1N 4357 [0,2,0,0,0,0|1,0,0]=3 1822 B9R1.69 NC1=CC=C(F)N=C1F 33399 [0,2,0,0,0,0|2,0,0]=4 1823 B9R1.69 NC1=CN=C(Br)C(Cl)=C1 5770 [0,2,0,0,0,0|2,0,0]=4 1824 B9R1.69 NC1=CN=C(Cl)C(Br)=C1 1143 [0,2,0,0,0,0|2,0,0]=4 1825 B9R1.69 NC1=CN=C(Cl)C(N)=C1 6100 [0,2,0,0,0,0|2,0,0]=4 1826 B9R1.69 NC1=CN=C(Cl)C=C1Cl 17045 [0,2,0,0,0,0|2,0,0]=4 1827 B9R1.69 NC1=CN=C(Cl)C=C1O 24435 [0,2,0,0,0,0|1,0,0]=3 1828 B9R1.69 NC1=CN=C(F)C(Br)=C1 6245 [0,2,0,0,0,0|2,0,0]=4 1829 B9R1.69 NC1=CN=C(N)C(Br)=C1 5490 [0,2,0,0,0,0|2,0,0]=4 1830 B9R1.69 NC1=CN=C(O)C(N)=C1 6446 [0,2,0,0,0,0|1,0,0]=3 1831 B9R1.69 NC1=NC(Cl)=C(Br)C=C1 26984 [0,2,0,0,0,0|2,0,0]=4 1832 B9R1.69 NC1=NC(Cl)=CC=C1Cl 33640 [0,2,0,0,0,0|2,0,0]=4 1833 B9R1.69 NC1=NC(F)=C(Br)C=C1 19511 [0,2,0,0,0,0|2,0,0]=4 1834 B9R1.69 NC1=NC(O)=NC=C1Br 14986 [0,2,0,0,0,0|2,0,0]=4 1835 B9R1.69 NC1=NC=C(Br)C(Cl)=C1 13538 [0,2,0,0,0,0|2,0,0]=4 1836 B9R1.69 NC1=NC=C(Br)C(O)=N1 21810 [0,2,0,0,0,0|2,0,0]=4 1837 B9R1.69 NC1=NC=C(Br)C=C1Br 1130 [0,2,0,0,0,0|2,0,0]=4 1838 B9R1.69 NC1=NC=C(Br)C=C1F 20322 [0,2,0,0,0,0|2,0,0]=4 1839 B9R1.69 NC1=NC=C(Br)C=C1I 8081 [0,2,0,0,0,0|2,0,0]=4 1840 B9R1.69 NC1=NC=C(Br)C=C1O 18742 [0,2,0,0,0,0|1,0,0]=3 1841 B9R1.69 NC1=NC=C(Cl)C(Br)=C1 34734 [0,2,0,0,0,0|2,0,0]=4 1842 B9R1.69 NC1=NC=C(Cl)C(Cl)=C1 19502 [0,2,0,0,0,0|2,0,0]=4 1843 B9R1.69 NC1=NC=C(Cl)C(I)=C1 35582 [0,2,0,0,0,0|2,0,0]=4 1844 B9R1.69 NC1=NC=C(Cl)C=C1Br 1141 [0,2,0,0,0,0|2,0,0]=4 1845 B9R1.69 NC1=NC=C(Cl)C=C1Cl 13504 [0,2,0,0,0,0|2,0,0]=4 1846 B9R1.69 NC1=NC=C(Cl)C=C1F 9633 [0,2,0,0,0,0|2,0,0]=4 1847 B9R1.69 NC1=NC=C(Cl)C=C1I 16614 [0,2,0,0,0,0|2,0,0]=4 1848 B9R1.69 NC1=NC=C(F)C=C1Br 1101 [0,2,0,0,0,0|2,0,0]=4 1849 B9R1.69 NC1=NC=C(F)C=C1F 5550 [0,2,0,0,0,0|2,0,0]=4 1850 B9R1.69 NC1=NC=C(F)C=C1I 27186 [0,2,0,0,0,0|2,0,0]=4 1851 B9R1.69 NC1=NC=C(F)C=C1O 5620 [0,2,0,0,0,0|1,0,0]=3 1852 B9R1.69 NC1=NC=C(I)C(Cl)=C1 15065 [0,2,0,0,0,0|2,0,0]=4 1853 B9R1.69 NC1=NC=C(O)C=C1Br 5553 [0,2,0,0,0,0|1,0,0]=3 1854 B9R1.69 NC1=NC=C(O)C=C1Cl 5558 [0,2,0,0,0,0|1,0,0]=3 1855 B9R1.69 O=C1NC(Cl)=CC=C1Br 34301 [0,2,0,0,0,0|1,0,1]=4 1856 B9R1.69 O=C1NC=C(Br)C=C1Cl 1172 [0,2,0,0,0,0|1,0,1]=4 1857 B9R1.69 O=C1NC=C(Br)C=C1F 9960 [0,2,0,0,0,0|1,0,1]=4 1858 B9R1.69 OC1=C(Br)C=C(Cl)C=C1 3594 [0,2,0,0,0,0|0,0,0]=2 1859 B9R1.69 OC1=C(Br)C=C(F)C=C1 1485 [0,2,0,0,0,0|0,0,0]=2 1860 B9R1.69 OC1=C(Br)C=C(I)C=C1 27942 [0,2,0,0,0,0|0,0,0]=2 1861 B9R1.69 OC1=C(Br)C=CC(Br)=C1 14527 [0,2,0,0,0,0|0,0,0]=2 1862 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 10956 [0,2,0,0,0,0|0,0,0]=2 1863 B9R1.69 OC1=C(Br)C=CC(F)=C1 1964 [0,2,0,0,0,0|0,0,0]=2 1864 B9R1.69 OC1=C(Cl)C=C(Br)C=C1 3596 [0,2,0,0,0,0|0,0,0]=2 1865 B9R1.69 OC1=C(Cl)C=C(F)C=C1 2372 [0,2,0,0,0,0|0,0,0]=2 1866 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 1476 [0,2,0,0,0,0|0,0,0]=2 1867 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 24852 [0,2,0,0,0,0|0,0,0]=2 1868 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 3697 [0,2,0,0,0,0|0,0,0]=2 1869 B9R1.69 OC1=C(Cl)C=CC(F)=C1 2146 [0,2,0,0,0,0|0,0,0]=2 1870 B9R1.69 OC1=C(Cl)C=CC(I)=C1 3651 [0,2,0,0,0,0|0,0,0]=2 1871 B9R1.69 OC1=C(F)C=C(Br)C=C1 1488 [0,2,0,0,0,0|0,0,0]=2 1872 B9R1.69 OC1=C(F)C=C(Cl)C=C1 2861 [0,2,0,0,0,0|0,0,0]=2 1873 B9R1.69 OC1=C(F)C=C(F)C=C1 2874 [0,2,0,0,0,0|0,0,0]=2 1874 B9R1.69 OC1=C(F)C=C(I)C=C1 26350 [0,2,0,0,0,0|0,0,0]=2 1875 B9R1.69 OC1=C(F)C=CC(Br)=C1 1490 [0,2,0,0,0,0|0,0,0]=2 1876 B9R1.69 OC1=C(F)C=CC(Cl)=C1 1492 [0,2,0,0,0,0|0,0,0]=2 1877 B9R1.69 OC1=C(F)C=CC(F)=C1 3464 [0,2,0,0,0,0|0,0,0]=2 1878 B9R1.69 OC1=C(F)C=CC(I)=C1 18134 [0,2,0,0,0,0|0,0,0]=2 1879 B9R1.69 OC1=C(I)C=C(Br)C=C1 28356 [0,2,0,0,0,0|0,0,0]=2 1880 B9R1.69 OC1=C(I)C=C(Cl)C=C1 28364 [0,2,0,0,0,0|0,0,0]=2 1881 B9R1.69 OC1=C(I)C=C(F)C=C1 28090 [0,2,0,0,0,0|0,0,0]=2 1882 B9R1.69 OC1=C(I)C=CC(Br)=C1 31124 [0,2,0,0,0,0|0,0,0]=2 1883 B9R1.69 OC1=C(I)C=CC(Cl)=C1 9582 [0,2,0,0,0,0|0,0,0]=2 1884 B9R1.69 OC1=C(I)C=CC(F)=C1 28089 [0,2,0,0,0,0|0,0,0]=2 1885 B9R1.69 OC1=C(I)C=CC(I)=C1 28127 [0,2,0,0,0,0|0,0,0]=2 1886 B9R1.69 OC1=CC(Br)=C(Br)C=C1 33264 [0,2,0,0,0,0|0,0,0]=2 1887 B9R1.69 OC1=CC(Br)=C(Cl)C=C1 3595 [0,2,0,0,0,0|0,0,0]=2 1888 B9R1.69 OC1=CC(Br)=C(F)C=C1 1486 [0,2,0,0,0,0|0,0,0]=2 1889 B9R1.69 OC1=CC(Br)=CN=C1Cl 35784 [0,2,0,0,0,0|1,0,0]=3 1890 B9R1.69 OC1=CC(Br)=CN=C1I 26867 [0,2,0,0,0,0|1,0,0]=3 1891 B9R1.69 OC1=CC(Br)=CN=C1O 5415 [0,2,0,0,0,0|1,0,0]=3 1892 B9R1.69 OC1=CC(Cl)=C(Br)C=C1 3597 [0,2,0,0,0,0|0,0,0]=2 1893 B9R1.69 OC1=CC(Cl)=C(Cl)C=C1 3698 [0,2,0,0,0,0|0,0,0]=2 1894 B9R1.69 OC1=CC(Cl)=C(F)C=C1 2856 [0,2,0,0,0,0|0,0,0]=2 1895 B9R1.69 OC1=CC(Cl)=C(I)C=C1 27608 [0,2,0,0,0,0|0,0,0]=2 1896 B9R1.69 OC1=CC(Cl)=CN=C1Br 5893 [0,2,0,0,0,0|1,0,0]=3 1897 B9R1.69 OC1=CC(Cl)=CN=C1Cl 26871 [0,2,0,0,0,0|1,0,0]=3 1898 B9R1.69 OC1=CC(Cl)=CN=C1F 6268 [0,2,0,0,0,0|1,0,0]=3 1899 B9R1.69 OC1=CC(Cl)=CN=C1O 5416 [0,2,0,0,0,0|1,0,0]=3 1900 B9R1.69 OC1=CC(F)=C(Br)C=C1 1489 [0,2,0,0,0,0|0,0,0]=2 1901 B9R1.69 OC1=CC(F)=C(Cl)C=C1 1493 [0,2,0,0,0,0|0,0,0]=2 1902 B9R1.69 OC1=CC(F)=C(F)C=C1 2315 [0,2,0,0,0,0|0,0,0]=2 1903 B9R1.69 OC1=CC(F)=C(I)C=C1 27944 [0,2,0,0,0,0|0,0,0]=2 1904 B9R1.69 OC1=CC(F)=C(O)C=C1 16452 [0,2,0,0,0,0|0,0,0]=2 1905 B9R1.69 OC1=CC(F)=CN=C1Br 10597 [0,2,0,0,0,0|1,0,0]=3 1906 B9R1.69 OC1=CC(F)=CN=C1Cl 17054 [0,2,0,0,0,0|1,0,0]=3 1907 B9R1.69 OC1=CC(I)=C(Cl)C=C1 28365 [0,2,0,0,0,0|0,0,0]=2 1908 B9R1.69 OC1=CC(I)=C(F)C=C1 33431 [0,2,0,0,0,0|0,0,0]=2 1909 B9R1.69 OC1=CC(O)=C(Br)C=C1 27082 [0,2,0,0,0,0|0,0,0]=2 1910 B9R1.69 OC1=CC(O)=C(Cl)C=C1 44767 [0,2,0,0,0,0|0,0,0]=2 1911 B9R1.69 OC1=CC(O)=C(F)C=C1 22656 [0,2,0,0,0,0|0,0,0]=2 1912 B9R1.69 OC1=CC(O)=NC=C1Cl 19875 [0,2,0,0,0,0|1,0,0]=3 1913 B9R1.69 OC1=CC=C(Cl)C=C1Cl 22008 [0,2,0,0,0,0|0,0,0]=2 1914 B9R1.69 OC1=CC=C(Cl)C=C1O 2215 [0,2,0,0,0,0|0,0,0]=2 1915 B9R1.69 OC1=CC=C(F)C=C1O 4143 [0,2,0,0,0,0|0,0,0]=2 1916 B9R1.69 OC1=CC=C(F)N=C1Br 36086 [0,2,0,0,0,0|1,0,0]=3 1917 B9R1.69 OC1=CC=C(F)N=C1F 22312 [0,2,0,0,0,0|1,0,0]=3 1918 B9R1.69 OC1=CN=C(Br)C(Cl)=C1 5771 [0,2,0,0,0,0|1,0,0]=3 1919 B9R1.69 OC1=CN=C(Cl)C(Br)=C1 6116 [0,2,0,0,0,0|1,0,0]=3 1920 B9R1.69 OC1=CN=C(Cl)C(Cl)=C1 5406 [0,2,0,0,0,0|1,0,0]=3 1921 B9R1.69 OC1=CN=C(Cl)C(F)=C1 6136 [0,2,0,0,0,0|1,0,0]=3 1922 B9R1.69 OC1=CN=C(F)C(Br)=C1 6247 [0,2,0,0,0,0|1,0,0]=3 1923 B9R1.69 OC1=CN=C(F)C(Cl)=C1 6262 [0,2,0,0,0,0|1,0,0]=3 1924 B9R1.69 OC1=CN=C(O)N=C1O 9614 [0,2,0,0,0,0|2,0,0]=4 1925 B9R1.69 OC1=NC(Cl)=NC=C1F 7029 [0,2,0,0,0,0|2,0,0]=4 1926 B9R1.69 OC1=NC=C(Br)C=C1Br 6448 [0,2,0,0,0,0|1,0,0]=3 1927 B9R1.69 OC1=NC=C(Br)C=C1I 26900 [0,2,0,0,0,0|1,0,0]=3 1928 B9R1.69 OC1=NC=C(Br)N=C1Br 23584 [0,2,0,0,0,0|2,0,0]=4 1929 B9R1.69 OC1=NC=C(Cl)C(I)=C1 20389 [0,2,0,0,0,0|1,0,0]=3 1930 B9R1.69 OC1=NC=C(Cl)C=C1Br 6524 [0,2,0,0,0,0|1,0,0]=3 1931 B9R1.69 OC1=NC=C(Cl)C=C1Cl 6510 [0,2,0,0,0,0|1,0,0]=3 1932 B9R1.69 OC1=NC=C(Cl)C=C1F 6542 [0,2,0,0,0,0|1,0,0]=3 1933 B9R1.69 OC1=NC=C(F)C(Br)=C1 6559 [0,2,0,0,0,0|1,0,0]=3 1934 B9R1.69 OC1=NC=C(F)C=C1Br 14287 [0,2,0,0,0,0|1,0,0]=3 1935 B9R1.69 OC1=NC=C(F)C=C1I 23345 [0,2,0,0,0,0|1,0,0]=3 1936 B9R1.69 SC1=C(Cl)C=C(Cl)C=C1 6798 [0,2,0,0,0,0|0,1,0]=3 1937 B9R1.69 SC1=C(Cl)C=CC(Cl)=C1 6801 [0,2,0,0,0,0|0,1,0]=3 1938 B9R1.69 SC1=CC(Cl)=C(Cl)C=C1 6803 [0,2,0,0,0,0|0,1,0]=3 1939 B9R1.3 BrC1=CN=CC(Br)=C1Br 13500 [0,2,0,0,0,0|2,0,0]=4 1940 B9R1.3 Brc1cccc(Br)c1I 28458 [0,2,0,0,0,0|1,0,0]=3 1941 B9R1.3 CC1=C(Br)C(Br)=CC=C1 31563 [0,2,0,0,0,0|1,0,0]=3 1942 B9R1.3 CC1=C(Br)C(Br)=NC=C1 5395 [0,2,0,0,0,0|2,0,0]=4 1943 B9R1.3 CC1=C(Br)C(Cl)=CC=C1 3598 [0,2,0,0,0,0|1,0,0]=3 1944 B9R1.3 CC1=C(Br)C(Cl)=NC=C1 1290 [0,2,0,0,0,0|2,0,0]=4 1945 B9R1.3 CC1=C(Br)C(F)=CC=C1 4518 [0,2,0,0,0,0|1,0,0]=3 1946 B9R1.3 CC1=C(Br)C(I)=CC=C1 31571 [0,2,0,0,0,0|1,0,0]=3 1947 B9R1.3 CC1=C(Br)C(N)=NC=C1 22221 [0,2,0,0,0,0|2,0,0]=4 1948 B9R1.3 CC1=C(Br)C(O)=NC=C1 6522 [0,2,0,0,0,0|1,0,0]=3 1949 B9R1.3 CC1=C(Br)C(O)=NC=N1 31708 [0,2,0,0,0,0|2,0,0]=4 1950 B9R1.3 CC1=C(Br)C=CC=C1Br 3926 [0,2,0,0,0,0|1,0,0]=3 1951 B9R1.3 CC1=C(Br)C=CC=C1Cl 3601 [0,2,0,0,0,0|1,0,0]=3 1952 B9R1.3 CC1=C(Br)C=CC=C1F 3236 [0,2,0,0,0,0|1,0,0]=3 1953 B9R1.3 CC1=C(Br)C=CN=C1Cl 6178 [0,2,0,0,0,0|2,0,0]=4 1954 B9R1.3 CC1=C(Br)C=CN=C1F 6313 [0,2,0,0,0,0|2,0,0]=4 1955 B9R1.3 CC1=C(Br)C=NC=C1Br 17566 [0,2,0,0,0,0|2,0,0]=4 1956 B9R1.3 CC1=C(C)C(Br)=CC=C1 3766 [0,2,0,0,0,0|1,0,0]=3 1957 B9R1.3 CC1=C(C)C(I)=CC=C1 3865 [0,2,0,0,0,0|1,0,0]=3 1958 B9R1.3 CC1=C(Cl)C(Cl)=NC=C1 5404 [0,2,0,0,0,0|2,0,0]=4 1959 B9R1.3 CC1=C(Cl)C(F)=CC=C1 8351 [0,2,0,0,0,0|1,0,0]=3 1960 B9R1.3 CC1=C(Cl)C(N)=NC=C1 5557 [0,2,0,0,0,0|2,0,0]=4 1961 B9R1.3 CC1=C(Cl)C=CC=C1Cl 3701 [0,2,0,0,0,0|1,0,0]=3 1962 B9R1.3 CC1=C(Cl)C=CC=C1F 1607 [0,2,0,0,0,0|1,0,0]=3 1963 B9R1.3 CC1=C(Cl)C=CC=C1I 3654 [0,2,0,0,0,0|1,0,0]=3 1964 B9R1.3 CC1=C(Cl)C=CN=C1Cl 5462 [0,2,0,0,0,0|2,0,0]=4 1965 B9R1.3 CC1=C(Cl)C=NC=C1Cl 6617 [0,2,0,0,0,0|2,0,0]=4 1966 B9R1.3 CC1=C(F)C(Br)=CC=C1 4521 [0,2,0,0,0,0|1,0,0]=3 1967 B9R1.3 CC1=C(F)C(Br)=NC=C1 10596 [0,2,0,0,0,0|2,0,0]=4 1968 B9R1.3 CC1=C(F)C(Cl)=CC=C1 1608 [0,2,0,0,0,0|1,0,0]=3 1969 B9R1.3 CC1=C(F)C(Cl)=NC=C1 6134 [0,2,0,0,0,0|2,0,0]=4 1970 B9R1.3 CC1=C(F)C(F)=CC=C1 1610 [0,2,0,0,0,0|1,0,0]=3 1971 B9R1.3 CC1=C(F)C(I)=CC=C1 1617 [0,2,0,0,0,0|1,0,0]=3 1972 B9R1.3 CC1=C(F)C=CC=C1F 1614 [0,2,0,0,0,0|1,0,0]=3 1973 B9R1.3 CC1=C(F)C=CC=C1I 1620 [0,2,0,0,0,0|1,0,0]=3 1974 B9R1.3 CC1=C(I)C(Br)=CC=C1 26178 [0,2,0,0,0,0|1,0,0]=3 1975 B9R1.3 CC1=C(I)C(Br)=NC=C1 5911 [0,2,0,0,0,0|2,0,0]=4 1976 B9R1.3 CC1=C(I)C(Cl)=CC=C1 3655 [0,2,0,0,0,0|1,0,0]=3 1977 B9R1.3 CC1=C(I)C(F)=CC=C1 4552 [0,2,0,0,0,0|1,0,0]=3 1978 B9R1.3 CC1=C(I)C=CN=C1Cl 17059 [0,2,0,0,0,0|2,0,0]=4 1979 B9R1.3 CC1=C(I)C=CN=C1Cl 29231 [0,2,0,0,0,0|2,0,0]=4 1980 B9R1.3 CC1=C(I)C=CN=C1F 6315 [0,2,0,0,0,0|2,0,0]=4 1981 B9R1.3 CC1=C(N)C(Br)=NC=C1 1238 [0,2,0,0,0,0|2,0,0]=4 1982 B9R1.3 CC1=C(N)C(Cl)=CC=C1 22391 [0,2,0,0,0,0|1,0,0]=3 1983 B9R1.3 CC1=C(N)C(Cl)=NC=C1 1244 [0,2,0,0,0,0|2,0,0]=4 1984 B9R1.3 CC1=C(N)C(F)=NC=C1 2984 [0,2,0,0,0,0|2,0,0]=4 1985 B9R1.3 CC1=C(N)C(N)=CC=C1 4538 [0,2,0,0,0,0|1,0,0]=3 1986 B9R1.3 CC1=C(N)C(N)=NC=C1 5377 [0,2,0,0,0,0|2,0,0]=4 1987 B9R1.3 CC1=C(N)C(O)=NC=C1 6707 [0,2,0,0,0,0|1,0,0]=3 1988 B9R1.3 CC1=C(N)C=CC=C1Br 3529 [0,2,0,0,0,0|1,0,0]=3 1989 B9R1.3 CC1=C(N)C=CC=C1Cl 26446 [0,2,0,0,0,0|1,0,0]=3 1990 B9R1.3 CC1=C(N)C=CC=C1F 1510 [0,2,0,0,0,0|1,0,0]=3 1991 B9R1.3 CC1=C(N)C=CC=C1I 31570 [0,2,0,0,0,0|1,0,0]=3 1992 B9R1.3 CC1=C(O)C(Cl)=NC=C1 6140 [0,2,0,0,0,0|1,0,0]=3 1993 B9R1.3 CC1=C(O)C(O)=CC=C1 17861 [0,2,0,0,0,0|0,0,0]=2 1994 B9R1.3 CC1=C(O)C=CC=C1Br 31089 [0,2,0,0,0,0|0,0,0]=2 1995 B9R1.3 CC1=C(O)C=CC=C1Cl 3670 [0,2,0,0,0,0|0,0,0]=2 1996 B9R1.3 CC1=C(O)C=CC=C1F 4121 [0,2,0,0,0,0|0,0,0]=2 1997 B9R1.3 CC1=C(O)C=CC=C1N 15039 [0,2,0,0,0,0|0,0,0]=2 1998 B9R1.3 CC1=C(O)C=CC=C1O 15385 [0,2,0,0,0,0|0,0,0]=2 1999 B9R1.3 CC1=CC=CC(Br)=C1Cl 23023 [0,2,0,0,0,0|1,0,0]=3 2000 B9R1.3 CC1=CC=CC(Br)=C1N 15573 [0,2,0,0,0,0|1,0,0]=3 2001 B9R1.3 CC1=CC=CC(Br)=C1O 31130 [0,2,0,0,0,0|0,0,0]=2 2002 B9R1.3 CC1=CC=CC(C)=C1Br 3206 [0,2,0,0,0,0|1,0,0]=3 2003 B9R1.3 CC1=CC=CC(C)=C1Cl 3643 [0,2,0,0,0,0|1,0,0]=3 2004 B9R1.3 CC1=CC=CC(C)=C1F 4407 [0,2,0,0,0,0|1,0,0]=3 2005 B9R1.3 CC1=CC=CC(C)=C1I 3867 [0,2,0,0,0,0|1,0,0]=3 2006 B9R1.3 CC1=CC=CC(C)=C1N 17593 [0,2,0,0,0,0|1,0,0]=3 2007 B9R1.3 CC1=CC=CC(C)=C1O 21746 [0,2,0,0,0,0|0,0,0]=2 2008 B9R1.3 CC1=CC=CC(C)=C1S 15272 [0,2,0,0,0,0|0,1,0]=3 2009 B9R1.3 CC1=CC=CC(C)=[N+]1[O-] 22578 [0,2,0,0,0,0|1,0,1]=4 2010 B9R1.3 CC1=CC=CC(Cl)=C1C 3638 [0,2,0,0,0,0|1,0,0]=3 2011 B9R1.3 CC1=CC=CC(Cl)=C1O 3669 [0,2,0,0,0,0|0,0,0]=2 2012 B9R1.3 CC1=CC=CC(F)=C1C 4408 [0,2,0,0,0,0|1,0,0]=3 2013 B9R1.3 CC1=CC=CC(F)=C1N 4470 [0,2,0,0,0,0|1,0,0]=3 2014 B9R1.3 CC1=CC=CC(F)=C1O 28383 [0,2,0,0,0,0|0,0,0]=2 2015 B9R1.3 CC1=CC=CC(N)=C1Br 20315 [0,2,0,0,0,0|1,0,0]=3 2016 B9R1.3 CC1=CC=CC(N)=C1Br 31002 [0,2,0,0,0,0|1,0,0]=3 2017 B9R1.3 CC1=CC=CC(N)=C1Cl 26411 [0,2,0,0,0,0|1,0,0]=3 2018 B9R1.3 CC1=CC=CC(N)=C1F 1536 [0,2,0,0,0,0|1,0,0]=3 2019 B9R1.3 CC1=CC=CC(N)=C1I 31058 [0,2,0,0,0,0|1,0,0]=3 2020 B9R1.3 CC1=CC=CC(O)=C1Br 31086 [0,2,0,0,0,0|0,0,0]=2 2021 B9R1.3 CC1=CC=CC(O)=C1Cl 31108 [0,2,0,0,0,0|0,0,0]=2 2022 B9R1.3 CC1=CC=CC(O)=C1F 4120 [0,2,0,0,0,0|0,0,0]=2 2023 B9R1.3 CC1=CC=CC(O)=C1I 27685 [0,2,0,0,0,0|0,0,0]=2 2024 B9R1.3 CC1=CC=CC(O)=C1N 2104 [0,2,0,0,0,0|0,0,0]=2 2025 B9R1.3 CC1=CC=CC(S)=C1C 6883 [0,2,0,0,0,0|0,1,0]=3 2026 B9R1.3 CC1=CC=CC(S)=C1N 21907 [0,2,0,0,0,0|0,1,0]=3 2027 B9R1.3 CC1=CN=CC(Br)=C1N 17044 [0,2,0,0,0,0|2,0,0]=4 2028 B9R1.3 CC1=CN=CC(C)=C1Cl 19477 [0,2,0,0,0,0|2,0,0]=4 2029 B9R1.3 CC1=NC=CC(C)=C1Br 27953 [0,2,0,0,0,0|2,0,0]=4 2030 B9R1.3 CC1=NC=CC(C)=C1N 25038 [0,2,0,0,0,0|2,0,0]=4 2031 B9R1.3 CC1=NC=CC(Cl)=C1C 33641 [0,2,0,0,0,0|2,0,0]=4 2032 B9R1.3 CC1=NC=CC(Cl)=C1Cl 6612 [0,2,0,0,0,0|2,0,0]=4 2033 B9R1.3 CC1=NC=CC(N)=C1Cl 6652 [0,2,0,0,0,0|2,0,0]=4 2034 B9R1.3 CN1C(=O)C=CC=C1Br 27775 [0,2,0,0,0,0|1,0,1]=4 2035 B9R1.3 CN1C=CC=C(Br)C1=O 27721 [0,2,0,0,0,0|1,0,1]=4 2036 B9R1.3 CN1C=CC=C(O)C1=O 17740 [0,2,0,0,0,0|1,0,0]=3 2037 B9R1.3 ClC1=C(Br)C=CN=C1Br 5433 [0,2,0,0,0,0|2,0,0]=4 2038 B9R1.3 ClC1=C(Br)C=NC=C1Br 26731 [0,2,0,0,0,0|2,0,0]=4 2039 B9R1.3 ClC1=C(Cl)C(I)=CC=C1 3690 [0,2,0,0,0,0|1,0,0]=3 2040 B9R1.3 ClC1=CC=CC(Br)=C1Cl 3607 [0,2,0,0,0,0|1,0,0]=3 2041 B9R1.3 ClC1=CC=CC(Cl)=C1Br 3610 [0,2,0,0,0,0|1,0,0]=3 2042 B9R1.3 ClC1=CC=CC(Cl)=C1Cl 9584 [0,2,0,0,0,0|1,0,0]=3 2043 B9R1.3 ClC1=CC=CC(Cl)=C1I 9581 [0,2,0,0,0,0|1,0,0]=3 2044 B9R1.3 ClC1=CN=CC(Br)=C1Cl 34343 [0,2,0,0,0,0|2,0,0]=4 2045 B9R1.3 ClC1=CN=CC(Cl)=C1Br 21381 [0,2,0,0,0,0|2,0,0]=4 2046 B9R1.3 ClC1=CN=CC(Cl)=C1Cl 11021 [0,2,0,0,0,0|2,0,0]=4 2047 B9R1.3 ClC1=CN=CC(Cl)=C1I 33687 [0,2,0,0,0,0|2,0,0]=4 2048 B9R1.3 ClC1=NC=CC(Br)=C1Cl 12657 [0,2,0,0,0,0|2,0,0]=4 2049 B9R1.3 ClC1=NC=CC(I)=C1Br 1283 [0,2,0,0,0,0|2,0,0]=4 2050 B9R1.3 ClC1=NC=CC(I)=C1Cl 27956 [0,2,0,0,0,0|2,0,0]=4 2051 B9R1.3 Clc1c(Br)cccc1Br 28453 [0,2,0,0,0,0|1,0,0]=3 2052 B9R1.3 FC1=C(Br)C(I)=CC=C1 27720 [0,2,0,0,0,0|1,0,0]=3 2053 B9R1.3 FC1=C(Br)C=CC=C1Br 28456 [0,2,0,0,0,0|1,0,0]=3 2054 B9R1.3 FC1=C(Br)C=CC=C1I 33430 [0,2,0,0,0,0|1,0,0]=3 2055 B9R1.3 FC1=C(Cl)C=CC=C1Cl 2311 [0,2,0,0,0,0|1,0,0]=3 2056 B9R1.3 FC1=C(Cl)C=NC=C1Cl 36142 [0,2,0,0,0,0|2,0,0]=4 2057 B9R1.3 FC1=C(F)C(I)=CC=C1 28462 [0,2,0,0,0,0|1,0,0]=3 2058 B9R1.3 FC1=C(I)C=CN=C1Cl 6130 [0,2,0,0,0,0|2,0,0]=4 2059 B9R1.3 FC1=CC=CC(Br)=C1Br 28457 [0,2,0,0,0,0|1,0,0]=3 2060 B9R1.3 FC1=CC=CC(Br)=C1Cl 4335 [0,2,0,0,0,0|1,0,0]=3 2061 B9R1.3 FC1=CC=CC(F)=C1Br 3034 [0,2,0,0,0,0|1,0,0]=3 2062 B9R1.3 FC1=CC=CC(F)=C1Cl 3416 [0,2,0,0,0,0|1,0,0]=3 2063 B9R1.3 FC1=CC=CC(F)=C1F 1067 [0,2,0,0,0,0|1,0,0]=3 2064 B9R1.3 FC1=CC=CC(F)=C1I 28463 [0,2,0,0,0,0|1,0,0]=3 2065 B9R1.3 FC1=CN=CC(F)=C1Cl 35588 [0,2,0,0,0,0|2,0,0]=4 2066 B9R1.3 FC1=CN=CC(F)=C1I 27840 [0,2,0,0,0,0|2,0,0]=4 2067 B9R1.3 FC1=NC=CC(Br)=C1Cl 22991 [0,2,0,0,0,0|2,0,0]=4 2068 B9R1.3 FC1=NC=CC(I)=C1Br 6244 [0,2,0,0,0,0|2,0,0]=4 2069 B9R1.3 FC1=NC=CC(I)=C1F 18430 [0,2,0,0,0,0|2,0,0]=4 2070 B9R1.3 Fc1c(Cl)cccc1Br 4338 [0,2,0,0,0,0|1,0,0]=3 2071 B9R1.3 Fc1c(Cl)cccc1I 4340 [0,2,0,0,0,0|1,0,0]=3 2072 B9R1.3 Fc1cccc(Cl)c1Cl 4380 [0,2,0,0,0,0|1,0,0]=3 2073 B9R1.3 Fc1cccc(Cl)c1F 4396 [0,2,0,0,0,0|1,0,0]=3 2074 B9R1.3 NC1=C(Br)C(Cl)=CC=C1 27264 [0,2,0,0,0,0|1,0,0]=3 2075 B9R1.3 NC1=C(Br)C(Cl)=NC=C1 2607 [0,2,0,0,0,0|2,0,0]=4 2076 B9R1.3 NC1=C(Br)C(F)=CC=C1 1523 [0,2,0,0,0,0|1,0,0]=3 2077 B9R1.3 NC1=C(Br)C=CC=C1Br 28295 [0,2,0,0,0,0|1,0,0]=3 2078 B9R1.3 NC1=C(Br)C=CC=C1Cl 28270 [0,2,0,0,0,0|1,0,0]=3 2079 B9R1.3 NC1=C(Br)C=CC=C1F 2923 [0,2,0,0,0,0|1,0,0]=3 2080 B9R1.3 NC1=C(Br)C=CN=C1Br 5419 [0,2,0,0,0,0|2,0,0]=4 2081 B9R1.3 NC1=C(Br)C=NC=C1Br 15981 [0,2,0,0,0,0|2,0,0]=4 2082 B9R1.3 NC1=C(Cl)C(Br)=CC=C1 31029 [0,2,0,0,0,0|1,0,0]=3 2083 B9R1.3 NC1=C(Cl)C(Cl)=CC=C1 10752 [0,2,0,0,0,0|1,0,0]=3 2084 B9R1.3 NC1=C(Cl)C(F)=CC=C1 1527 [0,2,0,0,0,0|1,0,0]=3 2085 B9R1.3 NC1=C(Cl)C=CC=C1F 1528 [0,2,0,0,0,0|1,0,0]=3 2086 B9R1.3 NC1=C(Cl)C=CC=C1I 10508 [0,2,0,0,0,0|1,0,0]=3 2087 B9R1.3 NC1=C(Cl)C=CN=C1Cl 5456 [0,2,0,0,0,0|2,0,0]=4 2088 B9R1.3 NC1=C(Cl)C=NC=C1Cl 1254 [0,2,0,0,0,0|2,0,0]=4 2089 B9R1.3 NC1=C(F)C(Br)=CC=C1 25916 [0,2,0,0,0,0|1,0,0]=3 2090 B9R1.3 NC1=C(F)C(Cl)=CC=C1 1529 [0,2,0,0,0,0|1,0,0]=3 2091 B9R1.3 NC1=C(F)C(F)=CC=C1 1530 [0,2,0,0,0,0|1,0,0]=3 2092 B9R1.3 NC1=C(F)C=CC=C1F 4034 [0,2,0,0,0,0|1,0,0]=3 2093 B9R1.3 NC1=C(F)C=CC=C1I 10507 [0,2,0,0,0,0|1,0,0]=3 2094 B9R1.3 NC1=C(I)C(Cl)=CC=C1 10506 [0,2,0,0,0,0|1,0,0]=3 2095 B9R1.3 NC1=C(I)C(Cl)=NC=C1 22625 [0,2,0,0,0,0|2,0,0]=4 2096 B9R1.3 NC1=C(I)C(F)=CC=C1 1533 [0,2,0,0,0,0|1,0,0]=3 2097 B9R1.3 NC1=C(N)C(Br)=CN=C1 23608 [0,2,0,0,0,0|2,0,0]=4 2098 B9R1.3 NC1=C(N)C(Cl)=CC=C1 30997 [0,2,0,0,0,0|1,0,0]=3 2099 B9R1.3 NC1=C(N)C(Cl)=NC=C1 25253 [0,2,0,0,0,0|2,0,0]=4 2100 B9R1.3 NC1=C(N)C(O)=NC=C1 25039 [0,2,0,0,0,0|1,0,0]=3 2101 B9R1.3 NC1=C(O)C(Br)=CC=C1 18136 [0,2,0,0,0,0|0,0,0]=2 2102 B9R1.3 NC1=C(O)C(Cl)=CC=C1 31102 [0,2,0,0,0,0|0,0,0]=2 2103 B9R1.3 NC1=C(O)C(F)=CC=C1 10659 [0,2,0,0,0,0|0,0,0]=2 2104 B9R1.3 NC1=C(O)C=CC=C1Br 21871 [0,2,0,0,0,0|0,0,0]=2 2105 B9R1.3 NC1=C(O)C=CC=C1Cl 31115 [0,2,0,0,0,0|0,0,0]=2 2106 B9R1.3 NC1=C(O)C=CC=C1F 31125 [0,2,0,0,0,0|0,0,0]=2 2107 B9R1.3 NC1=C(O)C=CC=C1O 19659 [0,2,0,0,0,0|0,0,0]=2 2108 B9R1.3 NC1=C(O)N=CN=C1O 18792 [0,2,0,0,0,0|2,0,0]=4 2109 B9R1.3 NC1=C(S)C=CC=C1Br 21898 [0,2,0,0,0,0|0,1,0]=3 2110 B9R1.3 NC1=C(S)C=CC=C1Cl 21897 [0,2,0,0,0,0|0,1,0]=3 2111 B9R1.3 NC1=CC=CC(O)=C1N 2129 [0,2,0,0,0,0|0,0,0]=2 2112 B9R1.3 NC1=CN=CC(N)=C1N 23609 [0,2,0,0,0,0|2,0,0]=4 2113 B9R1.3 NC1=NC=CC(Br)=C1O 5605 [0,2,0,0,0,0|1,0,0]=3 2114 B9R1.3 NC1=NC=CC(Cl)=C1I 14998 [0,2,0,0,0,0|2,0,0]=4 2115 B9R1.3 NC1=NC=CC(Cl)=C1O 5611 [0,2,0,0,0,0|1,0,0]=3 2116 B9R1.3 NC1=NC=CC(F)=C1O 5616 [0,2,0,0,0,0|1,0,0]=3 2117 B9R1.3 Nc1cccc(F)c1N 27516 [0,2,0,0,0,0|1,0,0]=3 2118 B9R1.3 O=C1NC=CC(O)=C1Cl 16904 [0,2,0,0,0,0|1,0,0]=3 2119 B9R1.3 OC1=C(Br)C(Br)=CC=C1 22618 [0,2,0,0,0,0|0,0,0]=2 2120 B9R1.3 OC1=C(Br)C(Cl)=CC=C1 17551 [0,2,0,0,0,0|0,0,0]=2 2121 B9R1.3 OC1=C(Br)C(F)=CC=C1 2834 [0,2,0,0,0,0|0,0,0]=2 2122 B9R1.3 OC1=C(Br)C(I)=CC=C1 22616 [0,2,0,0,0,0|0,0,0]=2 2123 B9R1.3 OC1=C(Br)C=CC=C1Cl 17552 [0,2,0,0,0,0|0,0,0]=2 2124 B9R1.3 OC1=C(Br)C=CC=C1F 1487 [0,2,0,0,0,0|0,0,0]=2 2125 B9R1.3 OC1=C(Br)C=CC=C1I 27392 [0,2,0,0,0,0|0,0,0]=2 2126 B9R1.3 OC1=C(Br)C=NC=C1Br 11306 [0,2,0,0,0,0|1,0,0]=3 2127 B9R1.3 OC1=C(Cl)C(Br)=CC=C1 16946 [0,2,0,0,0,0|0,0,0]=2 2128 B9R1.3 OC1=C(Cl)C(Cl)=CC=C1 3696 [0,2,0,0,0,0|0,0,0]=2 2129 B9R1.3 OC1=C(Cl)C(Cl)=CN=N1 16453 [0,2,0,0,0,0|2,0,0]=4 2130 B9R1.3 OC1=C(Cl)C(F)=CC=C1 9615 [0,2,0,0,0,0|0,0,0]=2 2131 B9R1.3 OC1=C(Cl)C=CC=C1Cl 17274 [0,2,0,0,0,0|0,0,0]=2 2132 B9R1.3 OC1=C(Cl)C=CC=C1F 2853 [0,2,0,0,0,0|0,0,0]=2 2133 B9R1.3 OC1=C(Cl)C=CC=C1I 27391 [0,2,0,0,0,0|0,0,0]=2 2134 B9R1.3 OC1=C(Cl)C=CN=C1Cl 33321 [0,2,0,0,0,0|1,0,0]=3 2135 B9R1.3 OC1=C(Cl)C=CN=C1I 26786 [0,2,0,0,0,0|1,0,0]=3 2136 B9R1.3 OC1=C(Cl)C=NC=C1Cl 2583 [0,2,0,0,0,0|1,0,0]=3 2137 B9R1.3 OC1=C(F)C(Br)=CC=C1 16947 [0,2,0,0,0,0|0,0,0]=2 2138 B9R1.3 OC1=C(F)C(Cl)=CC=C1 2855 [0,2,0,0,0,0|0,0,0]=2 2139 B9R1.3 OC1=C(F)C(F)=CC=C1 1494 [0,2,0,0,0,0|0,0,0]=2 2140 B9R1.3 OC1=C(F)C(F)=NC=C1 22308 [0,2,0,0,0,0|1,0,0]=3 2141 B9R1.3 OC1=C(F)C(I)=CC=C1 33275 [0,2,0,0,0,0|0,0,0]=2 2142 B9R1.3 OC1=C(F)C=CC=C1F 1495 [0,2,0,0,0,0|0,0,0]=2 2143 B9R1.3 OC1=C(F)C=CC=C1I 1497 [0,2,0,0,0,0|0,0,0]=2 2144 B9R1.3 OC1=C(I)C(Br)=CC=C1 22617 [0,2,0,0,0,0|0,0,0]=2 2145 B9R1.3 OC1=C(I)C(Cl)=CC=C1 28363 [0,2,0,0,0,0|0,0,0]=2 2146 B9R1.3 OC1=C(I)C(F)=CC=C1 33428 [0,2,0,0,0,0|0,0,0]=2 2147 B9R1.3 OC1=CC=CC(Br)=C1O 19085 [0,2,0,0,0,0|0,0,0]=2 2148 B9R1.3 OC1=CC=CC(Cl)=C1O 18911 [0,2,0,0,0,0|0,0,0]=2 2149 B9R1.3 OC1=CC=CC(F)=C1O 4142 [0,2,0,0,0,0|0,0,0]=2 2150 B9R1.3 OC1=CC=CC(O)=C1Br 34182 [0,2,0,0,0,0|0,0,0]=2 2151 B9R1.3 OC1=CC=CC(O)=C1Cl 28103 [0,2,0,0,0,0|0,0,0]=2 2152 B9R1.3 OC1=CC=CC(O)=C1F 4141 [0,2,0,0,0,0|0,0,0]=2 2153 B9R1.3 OC1=CC=CC(O)=C1I 34463 [0,2,0,0,0,0|0,0,0]=2 2154 B9R1.3 OC1=NC=NC(O)=C1Br 7005 [0,2,0,0,0,0|2,0,0]=4 2155 B9R1.3 OC1=NC=NC(O)=C1F 21476 [0,2,0,0,0,0|2,0,0]=4 2156 B9R1.3 SC1=C(Cl)C(Cl)=CC=C1 6796 [0,2,0,0,0,0|0,1,0]=3 2157 B9R1.3 SC1=C(Cl)C=CC=C1Cl 6802 [0,2,0,0,0,0|0,1,0]=3 2158 B9R1.3 [O-][n+]1cccc(O)c1Br 5908 [0,2,0,0,0,0|1,0,0]=3 2159 B9R1.3 [O-][n+]1cccc(O)c1Br 5909 [0,2,0,0,0,0|1,0,0]=3 2160 B9R1.34 BrC1=CC(Br)=CC(Br)=C1 9590 [0,2,0,0,0,0|1,0,0]=3 2161 B9R1.34 BrC1=CC(Br)=CC(I)=C1 31171 [0,2,0,0,0,0|1,0,0]=3 2162 B9R1.34 BrC1=CC(I)=CC(I)=C1 24388 [0,2,0,0,0,0|1,0,0]=3 2163 B9R1.34 CC1=CC(=O)C=C(C)O1 18806 [0,2,0,0,0,0|1,0,1]=4 2164 B9R1.34 CC1=CC(=O)OC(C)=C1 9568 [0,2,0,0,0,0|1,0,1]=4 2165 B9R1.34 CC1=CC(Br)=CC(Br)=C1 3934 [0,2,0,0,0,0|1,0,0]=3 2166 B9R1.34 CC1=CC(Br)=CC(Br)=N1 32490 [0,2,0,0,0,0|2,0,0]=4 2167 B9R1.34 CC1=CC(Br)=CC(C)=N1 13320 [0,2,0,0,0,0|2,0,0]=4 2168 B9R1.34 CC1=CC(Br)=CC(Cl)=C1 25374 [0,2,0,0,0,0|1,0,0]=3 2169 B9R1.34 CC1=CC(Br)=CC(F)=C1 3237 [0,2,0,0,0,0|1,0,0]=3 2170 B9R1.34 CC1=CC(Br)=NC(C)=C1 1293 [0,2,0,0,0,0|2,0,0]=4 2171 B9R1.34 CC1=CC(Br)=NC(Cl)=C1 5970 [0,2,0,0,0,0|2,0,0]=4 2172 B9R1.34 CC1=CC(Br)=NC(F)=C1 6097 [0,2,0,0,0,0|2,0,0]=4 2173 B9R1.34 CC1=CC(C)=CC(Br)=C1 4275 [0,2,0,0,0,0|1,0,0]=3 2174 B9R1.34 CC1=CC(C)=CC(Cl)=C1 3642 [0,2,0,0,0,0|1,0,0]=3 2175 B9R1.34 CC1=CC(C)=CC(I)=C1 3872 [0,2,0,0,0,0|1,0,0]=3 2176 B9R1.34 CC1=CC(C)=CC(S)=C1 6885 [0,2,0,0,0,0|0,1,0]=3 2177 B9R1.34 CC1=CC(C)=NC(C)=C1 15898 [0,2,0,0,0,0|2,0,0]=4 2178 B9R1.34 CC1=CC(C)=NC(O)=N1 21468 [0,2,0,0,0,0|2,0,0]=4 2179 B9R1.34 CC1=CC(Cl)=CC(C)=N1 19298 [0,2,0,0,0,0|2,0,0]=4 2180 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 27711 [0,2,0,0,0,0|1,0,0]=3 2181 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 5465 [0,2,0,0,0,0|2,0,0]=4 2182 B9R1.34 CC1=CC(Cl)=CC(F)=C1 17574 [0,2,0,0,0,0|1,0,0]=3 2183 B9R1.34 CC1=CC(Cl)=NC(C)=C1 3919 [0,2,0,0,0,0|2,0,0]=4 2184 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 5534 [0,2,0,0,0,0|2,0,0]=4 2185 B9R1.34 CC1=CC(F)=CC(F)=C1 1616 [0,2,0,0,0,0|1,0,0]=3 2186 B9R1.34 CC1=CC(F)=CC(I)=C1 4547 [0,2,0,0,0,0|1,0,0]=3 2187 B9R1.34 CC1=CC(I)=CC(F)=N1 17065 [0,2,0,0,0,0|2,0,0]=4 2188 B9R1.34 CC1=CC(N)=CC(Br)=C1 31011 [0,2,0,0,0,0|1,0,0]=3 2189 B9R1.34 CC1=CC(N)=CC(Br)=N1 21994 [0,2,0,0,0,0|2,0,0]=4 2190 B9R1.34 CC1=CC(N)=CC(C)=N1 19474 [0,2,0,0,0,0|2,0,0]=4 2191 B9R1.34 CC1=CC(N)=CC(Cl)=C1 31016 [0,2,0,0,0,0|1,0,0]=3 2192 B9R1.34 CC1=CC(N)=CC(Cl)=N1 27883 [0,2,0,0,0,0|2,0,0]=4 2193 B9R1.34 CC1=CC(N)=CC(F)=C1 1537 [0,2,0,0,0,0|1,0,0]=3 2194 B9R1.34 CC1=CC(N)=CC(I)=C1 9922 [0,2,0,0,0,0|1,0,0]=3 2195 B9R1.34 CC1=CC(N)=NC(C)=C1 19956 [0,2,0,0,0,0|2,0,0]=4 2196 B9R1.34 CC1=CC(N)=NC(Cl)=C1 5757 [0,2,0,0,0,0|2,0,0]=4 2197 B9R1.34 CC1=CC(O)=CC(=O)O1 9569 [0,2,0,0,0,0|1,0,0]=3 2198 B9R1.34 CC1=CC(O)=CC(Br)=C1 4137 [0,2,0,0,0,0|0,0,0]=2 2199 B9R1.34 CC1=CC(O)=CC(C)=N1 2413 [0,2,0,0,0,0|1,0,0]=3 2200 B9R1.34 CC1=CC(O)=CC(Cl)=C1 31111 [0,2,0,0,0,0|0,0,0]=2 2201 B9R1.34 CC1=CC(O)=CC(Cl)=N1 32417 [0,2,0,0,0,0|1,0,0]=3 2202 B9R1.34 CC1=CC(O)=CC(O)=C1 15386 [0,2,0,0,0,0|0,0,0]=2 2203 B9R1.34 CC1=CC(O)=CC(O)=N1 22295 [0,2,0,0,0,0|1,0,0]=3 2204 B9R1.34 CC1=CC(O)=NC(C)=C1 17124 [0,2,0,0,0,0|1,0,0]=3 2205 B9R1.34 CC1=CC(O)=NC(N)=N1 21463 [0,2,0,0,0,0|2,0,0]=4 2206 B9R1.34 CC1=CC(O)=NC(O)=N1 20755 [0,2,0,0,0,0|2,0,0]=4 2207 B9R1.34 CC1=NC(C)=NC(O)=C1 7189 [0,2,0,0,0,0|2,0,0]=4 2208 B9R1.34 CC1=NC(O)=CC(O)=N1 11391 [0,2,0,0,0,0|2,0,0]=4 2209 B9R1.34 CC1=NC(O)=CC(O)=N1 7098 [0,2,0,0,0,0|2,0,0]=4 2210 B9R1.34 Cc1cc(C)cc(C)c1 36396 [0,2,0,0,0,0|1,0,0]=3 2211 B9R1.34 Cc1cc(C)cc(F)c1 4410 [0,2,0,0,0,0|1,0,0]=3 2212 B9R1.34 ClC1=CC(Br)=CC(Br)=C1 3634 [0,2,0,0,0,0|1,0,0]=3 2213 B9R1.34 ClC1=CC(Cl)=CC(Br)=C1 3612 [0,2,0,0,0,0|1,0,0]=3 2214 B9R1.34 ClC1=CC(Cl)=CC(Cl)=C1 23744 [0,2,0,0,0,0|1,0,0]=3 2215 B9R1.34 ClC1=CC(Cl)=CC(I)=C1 3693 [0,2,0,0,0,0|1,0,0]=3 2216 B9R1.34 ClC1=CC(Cl)=NC(Cl)=C1 11020 [0,2,0,0,0,0|2,0,0]=4 2217 B9R1.34 ClC1=CC(I)=CC(Br)=C1 29436 [0,2,0,0,0,0|1,0,0]=3 2218 B9R1.34 ClC1=CC(I)=CC(Cl)=N1 17648 [0,2,0,0,0,0|2,0,0]=4 2219 B9R1.34 FC1=CC(Br)=CC(Br)=C1 1052 [0,2,0,0,0,0|1,0,0]=3 2220 B9R1.34 FC1=CC(Br)=CC(Cl)=C1 2261 [0,2,0,0,0,0|1,0,0]=3 2221 B9R1.34 FC1=CC(Cl)=CC(Cl)=C1 9578 [0,2,0,0,0,0|1,0,0]=3 2222 B9R1.34 FC1=CC(F)=CC(Br)=C1 1042 [0,2,0,0,0,0|1,0,0]=3 2223 B9R1.34 FC1=CC(F)=CC(Cl)=C1 4318 [0,2,0,0,0,0|1,0,0]=3 2224 B9R1.34 FC1=CC(F)=CC(F)=C1 1069 [0,2,0,0,0,0|1,0,0]=3 2225 B9R1.34 FC1=CC(F)=CC(I)=C1 17134 [0,2,0,0,0,0|1,0,0]=3 2226 B9R1.34 FC1=CC(F)=CC(S)=C1 6884 [0,2,0,0,0,0|0,1,0]=3 2227 B9R1.34 FC1=CC(F)=NC(F)=C1 7794 [0,2,0,0,0,0|2,0,0]=4 2228 B9R1.34 FC1=CC(I)=CC(Br)=C1 4293 [0,2,0,0,0,0|1,0,0]=3 2229 B9R1.34 F[N+]1=CC(Cl)=CC(Cl)=C1 20818 [0,2,0,0,0,0|2,0,0]=4 2230 B9R1.34 NC1=CC(Br)=CC(Br)=C1 26161 [0,2,0,0,0,0|1,0,0]=3 2231 B9R1.34 NC1=CC(Br)=CC(Cl)=C1 19913 [0,2,0,0,0,0|1,0,0]=3 2232 B9R1.34 NC1=CC(Br)=CC(F)=C1 26455 [0,2,0,0,0,0|1,0,0]=3 2233 B9R1.34 NC1=CC(Br)=CC(I)=C1 19714 [0,2,0,0,0,0|1,0,0]=3 2234 B9R1.34 NC1=CC(Br)=CC(N)=N1 19701 [0,2,0,0,0,0|2,0,0]=4 2235 B9R1.34 NC1=CC(Br)=CC(O)=C1 33417 [0,2,0,0,0,0|0,0,0]=2 2236 B9R1.34 NC1=CC(Br)=NC(Br)=C1 28211 [0,2,0,0,0,0|2,0,0]=4 2237 B9R1.34 NC1=CC(Cl)=CC(Cl)=C1 15383 [0,2,0,0,0,0|1,0,0]=3 2238 B9R1.34 NC1=CC(Cl)=CC(F)=C1 2953 [0,2,0,0,0,0|1,0,0]=3 2239 B9R1.34 NC1=CC(Cl)=CC(O)=C1 31122 [0,2,0,0,0,0|0,0,0]=2 2240 B9R1.34 NC1=CC(Cl)=NC(Cl)=C1 5530 [0,2,0,0,0,0|2,0,0]=4 2241 B9R1.34 NC1=CC(F)=CC(F)=C1 2296 [0,2,0,0,0,0|1,0,0]=3 2242 B9R1.34 NC1=CC(F)=CC(I)=C1 4458 [0,2,0,0,0,0|1,0,0]=3 2243 B9R1.34 NC1=CC(F)=NC(F)=C1 33559 [0,2,0,0,0,0|2,0,0]=4 2244 B9R1.34 NC1=CC(N)=CC(N)=C1 28337 [0,2,0,0,0,0|1,0,0]=3 2245 B9R1.34 NC1=CC(N)=CC(N)=C1 29354 [0,2,0,0,0,0|1,0,0]=3 2246 B9R1.34 NC1=CC(O)=CC(O)=C1 19962 [0,2,0,0,0,0|0,0,0]=2 2247 B9R1.34 NC1=NC(Cl)=CC(Cl)=C1 14149 [0,2,0,0,0,0|2,0,0]=4 2248 B9R1.34 NC1=NC(N)=NC(O)=C1 7054 [0,2,0,0,0,0|2,0,0]=4 2249 B9R1.34 NC1=NC(O)=CC(O)=N1 6997 [0,2,0,0,0,0|2,0,0]=4 2250 B9R1.34 NC1=NC(S)=NC(O)=C1 28178 [0,2,0,0,0,0|2,0,0]=4 2251 B9R1.34 NC1=NC(S)=NC(O)=C1 6994 [0,2,0,0,0,0|2,0,0]=4 2252 B9R1.34 OC1=CC(Br)=CC(Br)=C1 23831 [0,2,0,0,0,0|0,0,0]=2 2253 B9R1.34 OC1=CC(Br)=CC(Cl)=C1 17565 [0,2,0,0,0,0|0,0,0]=2 2254 B9R1.34 OC1=CC(Br)=CC(F)=C1 4129 [0,2,0,0,0,0|0,0,0]=2 2255 B9R1.34 OC1=CC(Br)=CC(I)=C1 31119 [0,2,0,0,0,0|0,0,0]=2 2256 B9R1.34 OC1=CC(Cl)=CC(Cl)=C1 3699 [0,2,0,0,0,0|0,0,0]=2 2257 B9R1.34 OC1=CC(Cl)=CC(F)=C1 2858 [0,2,0,0,0,0|0,0,0]=2 2258 B9R1.34 OC1=CC(Cl)=NC(Cl)=C1 5531 [0,2,0,0,0,0|1,0,0]=3 2259 B9R1.34 OC1=CC(F)=CC(F)=C1 1496 [0,2,0,0,0,0|0,0,0]=2 2260 B9R1.34 OC1=CC(O)=CC(Br)=C1 28359 [0,2,0,0,0,0|0,0,0]=2 2261 B9R1.34 OC1=CC(O)=CC(O)=C1 19880 [0,2,0,0,0,0|0,0,0]=2 2262 B9R1.34 OC1=CC(O)=CC(O)=C1 2603 [0,2,0,0,0,0|0,0,0]=2 2263 B9R1.34 OC1=CC(O)=NC(O)=N1 30329 [0,2,0,0,0,0|2,0,0]=4 2264 B9R1.34 OC1=CC(O)=NC(S)=N1 23365 [0,2,0,0,0,0|2,0,0]=4 2265 B9R1.34 SC1=CC(Cl)=CC(Cl)=C1 6804 [0,2,0,0,0,0|0,1,0]=3 2266 B9R1.34 [O-][n+]1cc(Br)cc(Br)c1 6616 [0,2,0,0,0,0|1,0,1]=4 2267 B9R2.50 C1=CC=C2CCC2=C1 18889 [0,1,0,1,0,0|1,0,0]=3 2268 B5R1.1 C1=CNC=C1 16729 [1,0,0,0,1,0|1,0,0]=3 2269 B5R1.1 C1=CNC=N1 26201 [1,0,0,0,1,0|2,0,0]=4 2270 B5R1.1 C1=CNN=C1 21409 [1,0,0,0,1,0|2,0,0]=4 2271 B5R1.1 C1=COC=N1 8626 [1,0,0,0,1,0|2,0,0]=4 2272 B5R1.1 C1=CON=C1 8623 [1,0,0,0,1,0|2,0,0]=4 2273 B5R1.1 C1=CSC=C1 26881 [1,0,0,0,1,0|1,0,0]=3 2274 B5R1.1 C1=CSN=C1 24709 [1,0,0,0,1,0|2,0,0]=4 2275 B5R1.1 C1=C[CH-]C=C1 16015 [1,0,0,0,1,0|0,0,1]=3 2276 B5R1.1 C1=C[CH-]C=C1 29400 [1,0,0,0,1,0|0,0,1]=3 2277 B5R1.1 C1=C[CH-]C=C1 35636 [1,0,0,0,1,0|0,0,1]=3