0 B8R1.2 BrCC1=CC=CC=C1 13143 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.2 BrCC1=CC=CN=C1 17664 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 BrCC1=NC=NC=C1 23940 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.2 Br[Mg]C1=CN=CN=C1 2073 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 C#CC1=CC=CC=C1 15340 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 C#CC1=CC=CN=C1 16106 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.2 C=CC1=NC=CC=C1 23910 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.2 CCC1=NC=NC=C1 23618 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 CNC1=CC=CN=C1 14983 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 CNC1=CC=NC=C1 12915 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 CNC1=CN=CN=C1 25066 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 COC1=CC=CC=C1 12830 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 COC1=CC=CC=C1 17272 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 COC1=CC=CN=C1 15370 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.2 COC1=CC=NC=C1 2585 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 COC1=CN=CN=C1 25073 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.2 COC1=NC=CC=C1 13201 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.2 COC1=NC=CN=C1 8605 [0,0,0,0,0,0|0,0,0]=0 18 B8R1.2 COC1=NC=NC=C1 21029 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.2 CSC1=CC=CC=C1 10578 [0,0,0,0,0,0|2,1,0]=3 20 B8R1.2 CSC1=NC=CC=C1 35938 [0,0,0,0,0,0|1,1,0]=2 21 B8R1.2 CSC1=NC=CN=C1 8604 [0,0,0,0,0,0|0,1,0]=1 22 B8R1.2 ClCC1=CC=CN=C1 9217 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.2 ClCC1=NC=CC=C1 16732 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.2 ClCC1=NC=CC=C1 36036 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 ClCC1=NC=CC=N1 21458 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.2 ClCC1=NC=CC=N1 24800 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.2 ClCC1=NC=CN=C1 32160 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.2 N#CC1=CC=CN=C1 11233 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.2 N#CC1=CN=CN=C1 11102 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.2 N#CC1=NC=CC=C1 6007 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 N#CC1=NC=CC=N1 7042 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.2 N#CC1=NC=CN=C1 8603 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.2 N#CC1=NC=NC=C1 21035 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.2 N#Cc1ccccc1 25507 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.2 NCC1=CC=CC=C1 25530 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.2 NCC1=CC=CN=C1 11140 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.2 NCC1=NC=CC=C1 11142 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.2 NCC1=NC=CC=N1 26329 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.2 NCC1=NC=CN=C1 17822 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.2 NNC1=CC=CC=C1 22925 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.2 NNC1=NC=CC=C1 22630 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.2 NNC1=NC=CN=C1 18786 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.2 O=CC1=CC=CN=C1 1124 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.2 O=CC1=CC=CN=N1 23311 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.2 O=CC1=CN=CN=C1 5298 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.2 O=CC1=NC=CC=C1 11741 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.2 O=CC1=NC=CC=N1 23190 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.2 O=CC1=NC=CN=C1 32140 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.2 OCC1=CC=CN=C1 11736 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.2 OCC1=CN=CN=C1 9758 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.2 OCC1=NC=CC=C1 9301 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.2 OCC1=NC=CC=N1 9757 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.2 OCC1=NC=CN=C1 32128 [0,0,0,0,0,0|2,0,0]=2 54 B8R1.2 OCC1=NC=NC=C1 9756 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.2 SCC1=CC=CC=C1 6835 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.2 SCC1=CC=CN=C1 25049 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.2 SCC1=NC=CC=C1 25013 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.2 SCC1=NC=CN=C1 32116 [0,0,0,0,0,0|2,0,0]=2 59 B7R1.3 BrC1=CC=CN=C1 2571 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.3 BrC1=CN=CN=C1 6902 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.3 BrC1=NC=CC=C1 2570 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.3 BrC1=NC=CC=N1 6901 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.3 BrC1=NC=CN=C1 18036 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 CC1=CC=CN=N1 17696 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.3 CC1=CN=CN=C1 7207 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.3 CC1=NC=CC=C1 15899 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.3 CC1=NC=CC=N1 21974 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.3 CC1=NC=CN=C1 8601 [1,0,0,0,0,0|0,0,0]=1 69 B7R1.3 CC1=NC=NC=C1 20803 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.3 Cc1ccccn1 18185 [1,0,0,0,0,0|1,0,0]=2 71 B7R1.3 ClC1=CC=CN=C1 2576 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 ClC1=CC=CN=N1 19779 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.3 ClC1=CN=CN=C1 7041 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.3 ClC1=NC=CC=C1 13200 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.3 ClC1=NC=CC=N1 7040 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.3 ClC1=NC=CN=C1 8546 [1,0,0,0,0,0|1,0,0]=2 77 B7R1.3 ClC1=NC=NC=C1 15531 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.3 FC1=CC=CC=C1 29401 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.3 FC1=CC=CN=C1 1095 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.3 FC1=CN=CN=C1 7193 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.3 FC1=NC=CC=C1 1094 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.3 FC1=NC=CN=C1 13961 [1,0,0,0,0,0|1,0,0]=2 83 B7R1.3 FC1=NC=NC=C1 13598 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.3 IC1=CC=CC=C1 2143 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.3 IC1=CC=CC=C1 3921 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.3 IC1=CC=CN=C1 6634 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.3 IC1=CN=CN=C1 25074 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.3 IC1=NC=CC=C1 4074 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.3 IC1=NC=CC=N1 23553 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.3 IC1=NC=NC=C1 33551 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.3 NC1=CC=CN=C1 2569 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.3 NC1=CC=CN=N1 16747 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.3 NC1=CC=CN=N1 9538 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.3 NC1=CN=CN=C1 25064 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.3 NC1=NC=CC=C1 10484 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.3 NC1=NC=CC=N1 4106 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.3 NC1=NC=CN=C1 8600 [1,0,0,0,0,0|1,0,0]=2 98 B7R1.3 NC1=NC=NC=C1 21825 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.3 O=C1C=CC=NN1 9528 [1,0,0,0,0,0|2,0,1]=4 100 B7R1.3 OC1=CC=CN=C1 2568 [1,0,0,0,0,0|1,0,0]=2 101 B7R1.3 OC1=CC=NC=C1 1116 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.3 OC1=CN=CN=C1 20799 [1,0,0,0,0,0|2,0,0]=3 103 B7R1.3 OC1=C[NH+]=CN=C1 23934 [1,0,0,0,0,0|2,0,0]=3 104 B7R1.3 OC1=NC=CC=C1 2567 [1,0,0,0,0,0|1,0,0]=2 105 B7R1.3 OC1=NC=CC=N1 20310 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.3 OC1=NC=CC=N1 21046 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.3 OC1=NC=CN=C1 8869 [1,0,0,0,0,0|0,0,0]=1 108 B7R1.3 OC1=NC=NC=C1 11012 [1,0,0,0,0,0|2,0,0]=3 109 B7R1.3 OC1=NC=NC=C1 20805 [1,0,0,0,0,0|2,0,0]=3 110 B7R1.3 PC1=CC=CC=C1 25514 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.3 SC1=CC=CC=C1 5421 [1,0,0,0,0,0|2,1,0]=4 112 B7R1.3 SC1=NC=CC=C1 10835 [1,0,0,0,0,0|1,1,0]=3 113 B7R1.3 SC1=NC=CC=C1 16329 [1,0,0,0,0,0|1,1,0]=3 114 B7R1.3 SC1=NC=CC=N1 21982 [1,0,0,0,0,0|2,1,0]=4 115 B7R1.3 [Li]C1=CC=CC=C1 26659 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.3 [O-][N+]1=CN=CC=C1 13269 [1,0,0,0,0,0|2,0,1]=4 117 B7R1.3 [S-]C1=CC=CC=C1 35336 [1,0,0,0,0,0|2,1,0]=4 118 B7R1.3 [SiH3]C1=CC=CC=C1 25896 [1,0,0,0,0,0|2,1,0]=4 119 B9R1.1 C#CC1=NC=C(Br)C=C1 1294 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.1 C=CC1=CC=C(N)C=N1 26083 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.1 C=CC1=CN=C(Br)C=C1 27635 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.1 CC1=CC=C(CO)C=N1 27403 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.1 CC1=CN=C(C#N)C=C1 12978 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.1 CC1=CN=C(C=O)C=N1 32176 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.1 CC1=CN=C(NN)C=N1 35476 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.1 CC1=NC=C(C#N)C=C1 6695 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.1 CC1=NC=C(NN)C=C1 19456 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.1 CC1=NC=C(NN)C=C1 26049 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.1 CCC1=CC=C(C)C=C1 21843 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.1 CCC1=CC=C(I)C=C1 3877 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.1 CCC1=CC=C(N)C=C1 26342 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.1 CCC1=CC=C(O)C=C1 3874 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.1 CCC1=CC=C(S)C=C1 6813 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.1 CCC1=CN=C(Br)C=N1 34496 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.1 CCC1=CN=C(C)C=C1 10482 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.1 CCC1=CN=C(C)C=C1 18256 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.1 CCC1=CN=C(Cl)N=C1 7032 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.1 CCC1=NC=C(Br)C=N1 27970 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.1 CCC1=NC=C(N)C=C1 25855 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.1 CCc1ccc(F)cc1 22752 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.1 CNC1=CC=C(Cl)N=N1 9476 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.1 CNC1=CC=C(I)C=C1 28328 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.1 CNC1=NC=C(Br)C=C1 22084 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.1 COC1=CC=C(Br)C=C1 3726 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.1 COC1=CC=C(C)N=C1 6640 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.1 COC1=CC=C(F)C=C1 3475 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.1 COC1=CC=C(I)C=C1 3911 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.1 COC1=CC=C(N)C=C1 21392 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.1 COC1=CC=C(N)C=C1 36098 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.1 COC1=CC=C(N)N=N1 9536 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.1 COC1=CC=C(O)C=C1 14584 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.1 COC1=CC=C(O)C=C1 2276 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.1 COC1=CC=C(S)C=C1 6822 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.1 COC1=CC=[N+]([O-])C=C1 2587 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.1 COC1=CN=C(Br)C=C1 15210 [0,1,0,0,0,0|1,0,0]=2 163 B9R1.1 COC1=CN=C(Br)C=N1 27287 [0,1,0,0,0,0|0,0,0]=1 164 B9R1.1 COC1=CN=C(Br)N=C1 26980 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.1 COC1=CN=C(Cl)C=C1 6222 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.1 COC1=CN=C(Cl)C=N1 32145 [0,1,0,0,0,0|0,0,0]=1 167 B9R1.1 COC1=CN=C(Cl)N=C1 13187 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.1 COC1=CN=C(F)C=C1 33665 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.1 COC1=CN=C(N)C=C1 23280 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.1 COC1=CN=C(N)C=N1 17505 [0,1,0,0,0,0|0,0,0]=1 171 B9R1.1 COC1=CN=C(N)N=C1 20801 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.1 COC1=NC=C(Br)C=C1 2408 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.1 COC1=NC=C(Br)C=N1 5264 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.1 COC1=NC=C(C)C=C1 6609 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.1 COC1=NC=C(Cl)C=C1 6602 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.1 COC1=NC=C(F)C=C1 11248 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.1 COC1=NC=C(I)C=C1 6606 [0,1,0,0,0,0|1,0,0]=2 178 B9R1.1 COC1=NC=C(N)C=C1 1270 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.1 COC1=NC=C(O)C=C1 16171 [0,1,0,0,0,0|1,0,0]=2 180 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [0,1,0,0,0,0|2,1,0]=4 181 B9R1.1 CSC1=CC=C(C)C=C1 10672 [0,1,0,0,0,0|2,1,0]=4 182 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [0,1,0,0,0,0|2,1,0]=4 183 B9R1.1 CSC1=CC=C(F)C=C1 10641 [0,1,0,0,0,0|2,1,0]=4 184 B9R1.1 CSC1=CC=C(I)C=C1 10670 [0,1,0,0,0,0|2,1,0]=4 185 B9R1.1 CSC1=CC=C(N)C=C1 10636 [0,1,0,0,0,0|2,1,0]=4 186 B9R1.1 CSC1=CC=C(O)C=C1 15277 [0,1,0,0,0,0|2,1,0]=4 187 B9R1.1 CSC1=CC=C(S)C=C1 6825 [0,1,0,0,0,0|2,1,0]=4 188 B9R1.1 CSC1=CN=C(Br)C=N1 21708 [0,1,0,0,0,0|0,1,0]=2 189 B9R1.1 CSC1=CN=C(Br)C=N1 23426 [0,1,0,0,0,0|0,1,0]=2 190 B9R1.1 CSC1=CN=C(Cl)N=C1 35838 [0,1,0,0,0,0|2,1,0]=4 191 B9R1.1 CSC1=CN=C(N)C=N1 30413 [0,1,0,0,0,0|0,1,0]=2 192 B9R1.1 CSC1=NC=C(Br)C=N1 5277 [0,1,0,0,0,0|2,1,0]=4 193 B9R1.1 ClCC1=CN=C(Cl)C=C1 9210 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.1 ClCC1=NC=C(Cl)C=C1 24106 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.1 N#CC1=CN=C(Br)C=C1 5963 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.1 N#CC1=CN=C(Br)C=N1 32157 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.1 N#CC1=CN=C(Cl)C=C1 1224 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.1 N#CC1=CN=C(Cl)C=N1 17409 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.1 N#CC1=CN=C(F)C=C1 19505 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.1 N#CC1=CN=C(N)C=C1 31629 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.1 N#CC1=CN=C(N)C=C1 5752 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.1 N#CC1=CN=C(N)C=N1 16678 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.1 N#CC1=CN=C(O)C=C1 18529 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.1 N#CC1=NC=C(Br)C=C1 2108 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.1 N#CC1=NC=C(Cl)C=C1 2107 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.1 N#CC1=NC=C(F)C=C1 16479 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.1 N#CC1=NC=C(N)C=C1 6228 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.1 N#CC1=NC=C(O)C=C1 17605 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.1 NC1=CC=C(CO)C=N1 18913 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.1 NCC1=CC=C(Cl)N=C1 24215 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.1 NCC1=CN=C(Cl)C=C1 1255 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.1 NCC1=CN=C(Cl)C=C1 15212 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.1 NCC1=NC=C(Br)C=C1 29009 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.1 NNC1=CN=C(Cl)C=C1 16449 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.1 NNC1=CN=C(Cl)C=C1 20865 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.1 NNC1=NC=C(Br)C=C1 18793 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.1 O=CC1=CC=C(Cl)N=C1 23354 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.1 O=CC1=CN=C(Br)C=C1 1181 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.1 O=CC1=CN=C(Cl)C=C1 9221 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.1 O=CC1=CN=C(F)C=C1 5150 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.1 OCC1=CC=C(F)N=C1 17062 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.1 OCC1=CN=C(Cl)C=C1 12920 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.1 OCC1=NC=C(Br)C=C1 12387 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.1 OCC1=NC=C(Br)C=C1 14780 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.1 OCC1=NC=C(Br)C=C1 7710 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.1 OCC1=NC=C(Cl)N=C1 23492 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.2 C=CC1=CC=CC(C)=N1 25969 [0,1,0,0,0,0|2,0,1]=4 233 B9R1.2 CC1=CC(C#N)=NC=C1 21387 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.2 CC1=CC(C=O)=NC=C1 17166 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.2 CC1=CC=CC(C#N)=N1 16781 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.2 CC1=CC=CC(C=O)=N1 15904 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.2 CC1=CC=CC(CBr)=N1 22577 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.2 CC1=CC=CC(CCl)=N1 22531 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.2 CC1=CC=CC(CCl)=N1 22536 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.2 CC1=CC=CC(CN)=N1 19465 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.2 CC1=CC=CC(CO)=N1 20959 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.2 CC1=CN=CC(CO)=C1 22640 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.2 CC1=CN=CC(NN)=N1 32180 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.2 CCC1=CC(Cl)=NC=N1 22620 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.2 CCC1=CC(O)=NC=N1 23619 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.2 CCC1=CC=CC(Br)=C1 3771 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.2 CCC1=CC=CC(N)=C1 13534 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.2 CCC1=CC=CC(O)=C1 10772 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.2 CCC1=NC=CC(Br)=C1 22128 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.2 CNC1=CC(Br)=CN=C1 34590 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.2 CNC1=CC(Cl)=CC=C1 9202 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.2 CNC1=CC(Cl)=NC=N1 9456 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.2 CNC1=CC(F)=CC=C1 24835 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.2 CNC1=CC=CC(O)=C1 27611 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.2 CNC1=NC=CC(Br)=C1 32483 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.2 COC1=CC(Br)=CC=C1 13575 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.2 COC1=CC(Br)=NC=C1 5957 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.2 COC1=CC(Br)=NC=N1 28084 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.2 COC1=CC(Cl)=CC=C1 3615 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.2 COC1=CC(Cl)=NC=C1 6204 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.2 COC1=CC(Cl)=NC=N1 7038 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.2 COC1=CC(F)=CC=C1 3474 [0,1,0,0,0,0|2,0,0]=3 263 B9R1.2 COC1=CC(F)=NC=C1 34821 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.2 COC1=CC(I)=CC=C1 3904 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.2 COC1=CC(I)=NC=N1 28085 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.2 COC1=CC(N)=NC=C1 16566 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.2 COC1=CC(N)=NC=C1 5700 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.2 COC1=CC(N)=NC=N1 2605 [0,1,0,0,0,0|2,0,0]=3 269 B9R1.2 COC1=CC(O)=CC=C1 13577 [0,1,0,0,0,0|2,0,0]=3 270 B9R1.2 COC1=CC=CC(Br)=N1 9206 [0,1,0,0,0,0|1,0,0]=2 271 B9R1.2 COC1=CC=CC(Cl)=N1 13194 [0,1,0,0,0,0|1,0,0]=2 272 B9R1.2 COC1=CC=CC(I)=N1 9288 [0,1,0,0,0,0|1,0,0]=2 273 B9R1.2 COC1=CC=CC(N)=C1 8374 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.2 COC1=CC=CC(N)=N1 12919 [0,1,0,0,0,0|1,0,0]=2 275 B9R1.2 COC1=CC=CC(S)=C1 6817 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.2 COC1=CN=CC(Br)=C1 5085 [0,1,0,0,0,0|1,0,0]=2 277 B9R1.2 COC1=CN=CC(Cl)=N1 32164 [0,1,0,0,0,0|0,0,0]=1 278 B9R1.2 COC1=CN=CC(I)=C1 16704 [0,1,0,0,0,0|1,0,0]=2 279 B9R1.2 COC1=CN=CC(N)=C1 22353 [0,1,0,0,0,0|1,0,0]=2 280 B9R1.2 COC1=CN=CC(N)=N1 17504 [0,1,0,0,0,0|0,0,0]=1 281 B9R1.2 COC1=CN=CC(O)=C1 27157 [0,1,0,0,0,0|1,0,0]=2 282 B9R1.2 COC1=CN=NC(O)=C1 28201 [0,1,0,0,0,0|2,0,0]=3 283 B9R1.2 COC1=NC(Br)=NC=C1 28086 [0,1,0,0,0,0|2,0,0]=3 284 B9R1.2 COC1=NC(C)=NC=C1 19887 [0,1,0,0,0,0|2,0,0]=3 285 B9R1.2 COC1=NC(N)=NC=C1 21995 [0,1,0,0,0,0|2,0,0]=3 286 B9R1.2 COC1=NC=CC(Br)=C1 6657 [0,1,0,0,0,0|1,0,0]=2 287 B9R1.2 COC1=NC=CC(Br)=N1 33686 [0,1,0,0,0,0|2,0,0]=3 288 B9R1.2 COC1=NC=CC(C)=C1 6598 [0,1,0,0,0,0|1,0,0]=2 289 B9R1.2 COC1=NC=CC(Cl)=C1 15650 [0,1,0,0,0,0|1,0,0]=2 290 B9R1.2 COC1=NC=CC(Cl)=C1 6663 [0,1,0,0,0,0|1,0,0]=2 291 B9R1.2 COC1=NC=CC(Cl)=N1 23206 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.2 COC1=NC=CC(F)=C1 6596 [0,1,0,0,0,0|1,0,0]=2 293 B9R1.2 COC1=NC=CC(I)=C1 17128 [0,1,0,0,0,0|1,0,0]=2 294 B9R1.2 COC1=NC=CC(N)=C1 32235 [0,1,0,0,0,0|1,0,0]=2 295 B9R1.2 COC1=NC=CC(N)=C1 6595 [0,1,0,0,0,0|1,0,0]=2 296 B9R1.2 COC1=NC=CC(N)=N1 28087 [0,1,0,0,0,0|2,0,0]=3 297 B9R1.2 COC1=NC=CC(O)=C1 35149 [0,1,0,0,0,0|1,0,0]=2 298 B9R1.2 CSC1=CC(Br)=CC=C1 10649 [0,1,0,0,0,0|2,1,0]=4 299 B9R1.2 CSC1=CC(C)=CC=C1 10793 [0,1,0,0,0,0|2,1,0]=4 300 B9R1.2 CSC1=CC(Cl)=CC=C1 10644 [0,1,0,0,0,0|2,1,0]=4 301 B9R1.2 CSC1=CC(F)=CC=C1 10640 [0,1,0,0,0,0|2,1,0]=4 302 B9R1.2 CSC1=CC(I)=CC=C1 10669 [0,1,0,0,0,0|2,1,0]=4 303 B9R1.2 CSC1=CC(N)=CC=C1 10635 [0,1,0,0,0,0|2,1,0]=4 304 B9R1.2 CSC1=CC=CC(Br)=N1 27610 [0,1,0,0,0,0|1,1,0]=3 305 B9R1.2 CSC1=NC=CC(C)=N1 35732 [0,1,0,0,0,0|2,1,0]=4 306 B9R1.2 CSC1=NC=CC(Cl)=N1 15764 [0,1,0,0,0,0|2,1,0]=4 307 B9R1.2 CSC1=NC=CC(I)=N1 5294 [0,1,0,0,0,0|2,1,0]=4 308 B9R1.2 CSC1=NC=CC(N)=N1 22250 [0,1,0,0,0,0|2,1,0]=4 309 B9R1.2 CSC1=NC=CC(O)=N1 21487 [0,1,0,0,0,0|2,1,0]=4 310 B9R1.2 ClCC1=CC(I)=CN=C1 27044 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.2 ClCC1=CN=CC(Br)=C1 26331 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.2 N#CC1=CC(Cl)=CN=C1 14369 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.2 N#CC1=CC(O)=CN=C1 17727 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.2 N#CC1=CC(O)=CN=C1 18350 [0,1,0,0,0,0|3,0,0]=4 315 B9R1.2 N#CC1=CC=CC(Cl)=N1 2163 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.2 N#CC1=CC=CC(N)=N1 44709 [0,1,0,0,0,0|3,0,0]=4 317 B9R1.2 N#CC1=CN=CC(Br)=C1 7702 [0,1,0,0,0,0|3,0,0]=4 318 B9R1.2 N#CC1=CN=CC(F)=C1 32489 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.2 N#CC1=CN=CC(N)=C1 21874 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.2 N#CC1=NC(Br)=CC=C1 14367 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.2 N#CC1=NC(Cl)=CN=C1 32112 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.2 N#CC1=NC(F)=CC=C1 4017 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.2 N#CC1=NC=CC(Br)=C1 23829 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.2 N#CC1=NC=CC(Cl)=C1 13193 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.2 N#CC1=NC=CC(N)=C1 23209 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.2 N#CC1=NC=CC(O)=C1 34371 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.2 NCC1=NC=CC(Br)=C1 35197 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.2 NNC1=CC=CC(Br)=N1 12987 [0,1,0,0,0,0|3,0,0]=4 329 B9R1.2 NNC1=CC=CC(Cl)=N1 12983 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.2 O=CC1=CC(Br)=CN=C1 7706 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.2 O=CC1=CC(O)=CN=C1 23673 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.2 O=CC1=CC=CC(F)=N1 15245 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.2 O=CC1=CN=CC(Br)=C1 16604 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.2 O=CC1=CN=CC(Cl)=C1 16702 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.2 O=CC1=CN=CC(F)=C1 5151 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.2 O=CC1=CN=CC(I)=C1 16653 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.2 O=CC1=NC(Br)=CC=C1 3196 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.2 O=CC1=NC(Br)=CC=C1 9209 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.2 O=CC1=NC(Cl)=CC=C1 13323 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.2 O=CC1=NC(Cl)=CN=C1 32134 [0,1,0,0,0,0|2,0,0]=3 341 B9R1.2 O=CC1=NC=CC(Cl)=C1 24779 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.2 OCC1=CC(Br)=CN=C1 22108 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.2 OCC1=CC(Cl)=CN=C1 12982 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.2 OCC1=CC(I)=CN=C1 16706 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.2 OCC1=CC=CC(Br)=N1 7712 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.2 OCC1=NC(Cl)=CC=C1 13322 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.2 OCC1=NC(Cl)=CC=C1 18795 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.2 OCC1=NC(Cl)=CN=C1 32136 [0,1,0,0,0,0|2,0,0]=3 349 B9R1.2 OCC1=NC(I)=CC=C1 26934 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.2 OCC1=NC=CC(Br)=C1 20564 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.2 OCC1=NC=CC(Cl)=C1 9828 [0,1,0,0,0,0|3,0,0]=4 352 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,1,0,0,0,0|2,0,0]=3 353 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [0,1,0,0,0,0|3,0,0]=4 354 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,1,0,0,0,0|2,0,0]=3 356 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [0,1,0,0,0,0|1,0,0]=2 358 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [0,1,0,0,0,0|3,0,0]=4 359 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [0,1,0,0,0,0|3,0,0]=4 360 B9R1.6 CC(N)C1=CC=CC=C1 21079 [0,1,0,0,0,0|3,0,0]=4 361 B9R1.6 CN(C)C1=CN=CN=C1 27648 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.6 CN(C)C1=NC=CC=C1 14996 [0,1,0,0,0,0|2,0,0]=3 363 B9R1.6 CP(C)C1=CC=CC=C1 6420 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.6 C[C@@H](N)c1ccccc1 6026 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.6 C[C@@H](N)c1ccccc1 6060 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.6 C[C@@H](N)c1ccccc1 9918 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [0,1,0,0,0,0|2,0,0]=3 368 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [0,1,0,0,0,0|2,0,0]=3 369 B9R1.6 C[C@@H](O)c1ccccc1 6851 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.6 C[C@H](N)c1ccccc1 6025 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.6 C[C@H](N)c1ccccc1 6061 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [0,1,0,0,0,0|2,0,0]=3 373 B9R1.6 C[C@H](O)c1ccccc1 6858 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.6 N=C(N)C1=NC=CN=C1 8599 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [0,1,0,0,0,0|3,0,0]=4 378 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [0,1,0,0,0,0|3,0,0]=4 379 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [0,1,0,0,0,0|2,0,0]=3 382 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [0,1,0,0,0,0|3,0,0]=4 383 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [0,1,0,0,0,0|3,0,0]=4 384 B9R1.6 OB(O)C1=CC=CN=C1 2183 [0,1,0,0,0,0|3,0,0]=4 385 B9R1.6 OB(O)C1=NC=CC=C1 4076 [0,1,0,0,0,0|3,0,0]=4 386 B9R1.8 BrCCC1=CC=CN=C1 21399 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.8 BrCCC1=NC=CC=C1 23421 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.8 CCCC1=CC=CC=C1 10852 [0,1,0,0,0,0|3,0,0]=4 389 B9R1.8 CCOC1=CC=NC=C1 1125 [0,1,0,0,0,0|3,0,0]=4 390 B9R1.8 CCOC1=NC=CC=C1 1126 [0,1,0,0,0,0|1,0,0]=2 391 B9R1.8 CCSC1=CC=CC=C1 10773 [0,1,0,0,0,0|2,1,0]=4 392 B9R1.8 CNCC1=CC=CC=C1 19910 [0,1,0,0,0,0|3,0,0]=4 393 B9R1.8 CNCC1=CC=CC=C1 25218 [0,1,0,0,0,0|3,0,0]=4 394 B9R1.8 CNCC1=CC=CC=C1 5801 [0,1,0,0,0,0|3,0,0]=4 395 B9R1.8 COCC1=CC=CC=C1 15300 [0,1,0,0,0,0|2,0,0]=3 396 B9R1.8 ClCCC1=CC=CC=C1 26674 [0,1,0,0,0,0|3,0,0]=4 397 B9R1.8 ClCCC1=CC=CN=C1 23929 [0,1,0,0,0,0|2,0,0]=3 398 B9R1.8 ClCSC1=CC=CC=C1 10735 [0,1,0,0,0,0|2,1,0]=4 399 B9R1.8 N#CCC1=NC=CC=C1 9302 [0,1,0,0,0,0|2,0,1]=4 400 B9R1.8 NCCC1=CC=CN=C1 13196 [0,1,0,0,0,0|2,0,0]=3 401 B9R1.8 NCCC1=CC=CN=C1 14084 [0,1,0,0,0,0|2,0,0]=3 402 B9R1.8 NCCC1=NC=CC=C1 2592 [0,1,0,0,0,0|2,0,0]=3 403 B9R1.8 NCCc1ccccc1 21077 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.8 NOCC1=CC=CC=C1 24804 [0,1,0,0,0,0|3,0,0]=4 405 B9R1.8 NOCC1=CC=CC=C1 7095 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.8 O=C=NC1=CC=CN=C1 14441 [0,1,0,0,0,0|2,0,1]=4 407 B9R1.8 OCCC1=NC=CC=C1 2593 [0,1,0,0,0,0|2,0,0]=3 408 B9R1.8 SCCC1=CC=CN=C1 25052 [0,1,0,0,0,0|2,0,0]=3 409 B9R1.8 SCCC1=NC=CC=C1 25015 [0,1,0,0,0,0|2,0,0]=3 410 B9R1.15 BrCC1=CC=CN=C1Br 22284 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.15 C#CC1=CC=CN=C1N 34373 [0,1,0,0,0,0|2,0,1]=4 412 B9R1.15 CC1=C(C#N)C=NC=C1 31633 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.15 CC1=C(C#N)C=NC=C1 6623 [0,1,0,0,0,0|3,0,0]=4 414 B9R1.15 CC1=C(C=O)C=CC=N1 24064 [0,1,0,0,0,0|3,0,0]=4 415 B9R1.15 CC1=C(CO)C=NC=C1 34710 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.15 CC1=CC=CN=C1C#N 9627 [0,1,0,0,0,0|3,0,0]=4 417 B9R1.15 CC1=CC=CN=C1C=O 17165 [0,1,0,0,0,0|3,0,0]=4 418 B9R1.15 CC1=CC=NC=C1C#N 18426 [0,1,0,0,0,0|3,0,0]=4 419 B9R1.15 CC1=CC=NC=C1C=O 18427 [0,1,0,0,0,0|3,0,0]=4 420 B9R1.15 CC1=NC=CC=C1C#N 17460 [0,1,0,0,0,0|3,0,0]=4 421 B9R1.15 CC1=NC=CC=C1CCl 26692 [0,1,0,0,0,0|3,0,0]=4 422 B9R1.15 CC1=NC=CC=C1CO 26693 [0,1,0,0,0,0|3,0,0]=4 423 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [0,1,0,0,0,0|3,0,0]=4 424 B9R1.15 CCC1=C(I)C=CC=C1 3876 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.15 CCC1=C(N)C=CC=C1 20945 [0,1,0,0,0,0|3,0,0]=4 426 B9R1.15 CCC1=C(N)C=CC=C1 21080 [0,1,0,0,0,0|3,0,0]=4 427 B9R1.15 CCC1=C(O)C=CC=C1 3871 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.15 CCC1=C(S)C=CC=C1 6844 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.15 CCC1=CC=CN=C1N 35166 [0,1,0,0,0,0|2,0,0]=3 430 B9R1.15 CCC1=CN=CN=C1Cl 21456 [0,1,0,0,0,0|3,0,0]=4 431 B9R1.15 CCC1=NC=CC=C1Br 27958 [0,1,0,0,0,0|2,0,0]=3 432 B9R1.15 CCC1=NC=CN=C1C 8611 [0,1,0,0,0,0|1,0,0]=2 433 B9R1.15 CCC1=NC=CN=C1Cl 32165 [0,1,0,0,0,0|1,0,0]=2 434 B9R1.15 CCC1=NC=NC=C1F 17408 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.15 CNC1=C(F)C=CC=C1 15527 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.15 CNC1=CC=CC=C1N 14987 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.15 COC1=C(Br)C=CC=C1 3725 [0,1,0,0,0,0|2,0,0]=3 438 B9R1.15 COC1=C(Br)C=CN=C1 20095 [0,1,0,0,0,0|1,0,0]=2 439 B9R1.15 COC1=C(Br)C=CN=C1 34713 [0,1,0,0,0,0|1,0,0]=2 440 B9R1.15 COC1=C(Br)C=NC=C1 6686 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.15 COC1=C(C)C=CN=C1 34674 [0,1,0,0,0,0|1,0,0]=2 442 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [0,1,0,0,0,0|2,0,0]=3 443 B9R1.15 COC1=C(Cl)C=CN=C1 33677 [0,1,0,0,0,0|1,0,0]=2 444 B9R1.15 COC1=C(Cl)C=NC=C1 6687 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.15 COC1=C(F)C=CC=C1 3473 [0,1,0,0,0,0|2,0,0]=3 446 B9R1.15 COC1=C(I)C=CC=C1 3898 [0,1,0,0,0,0|2,0,0]=3 447 B9R1.15 COC1=C(I)C=NC=C1 34558 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.15 COC1=C(N)C=CN=C1 27755 [0,1,0,0,0,0|1,0,0]=2 449 B9R1.15 COC1=C(O)C=CN=C1 34289 [0,1,0,0,0,0|1,0,0]=2 450 B9R1.15 COC1=C(S)C=CC=C1 6816 [0,1,0,0,0,0|2,0,0]=3 451 B9R1.15 COC1=CC=CC=C1O 26545 [0,1,0,0,0,0|2,0,0]=3 452 B9R1.15 COC1=CC=CN=C1Br 5916 [0,1,0,0,0,0|1,0,0]=2 453 B9R1.15 COC1=CC=CN=C1C 6637 [0,1,0,0,0,0|1,0,0]=2 454 B9R1.15 COC1=CC=CN=C1Cl 6146 [0,1,0,0,0,0|1,0,0]=2 455 B9R1.15 COC1=CC=CN=C1N 28123 [0,1,0,0,0,0|1,0,0]=2 456 B9R1.15 COC1=CC=CN=C1O 6543 [0,1,0,0,0,0|1,0,0]=2 457 B9R1.15 COC1=CN=CN=C1Cl 32304 [0,1,0,0,0,0|2,0,0]=3 458 B9R1.15 COC1=NC=CC=C1Br 1180 [0,1,0,0,0,0|1,0,0]=2 459 B9R1.15 COC1=NC=CC=C1C 6594 [0,1,0,0,0,0|1,0,0]=2 460 B9R1.15 COC1=NC=CC=C1Cl 1189 [0,1,0,0,0,0|1,0,0]=2 461 B9R1.15 COC1=NC=CC=C1F 10624 [0,1,0,0,0,0|1,0,0]=2 462 B9R1.15 COC1=NC=CC=C1I 6586 [0,1,0,0,0,0|1,0,0]=2 463 B9R1.15 COC1=NC=CC=C1N 1269 [0,1,0,0,0,0|1,0,0]=2 464 B9R1.15 COC1=NC=CN=C1Br 32150 [0,1,0,0,0,0|0,0,0]=1 465 B9R1.15 COC1=NC=CN=C1C 9109 [0,1,0,0,0,0|0,0,0]=1 466 B9R1.15 COC1=NC=CN=C1Cl 8545 [0,1,0,0,0,0|0,0,0]=1 467 B9R1.15 COC1=NC=CN=C1N 27380 [0,1,0,0,0,0|0,0,0]=1 468 B9R1.15 CSC1=C(Br)C=CC=C1 10648 [0,1,0,0,0,0|2,1,0]=4 469 B9R1.15 CSC1=C(C)C=CC=C1 10730 [0,1,0,0,0,0|2,1,0]=4 470 B9R1.15 CSC1=C(Cl)C=CC=C1 10643 [0,1,0,0,0,0|2,1,0]=4 471 B9R1.15 CSC1=C(F)C=CC=C1 10638 [0,1,0,0,0,0|2,1,0]=4 472 B9R1.15 CSC1=C(I)C=CC=C1 10668 [0,1,0,0,0,0|2,1,0]=4 473 B9R1.15 CSC1=C(N)C=CC=C1 10633 [0,1,0,0,0,0|2,1,0]=4 474 B9R1.15 CSC1=C(O)C=CC=C1 10666 [0,1,0,0,0,0|2,1,0]=4 475 B9R1.15 CSC1=NC=CN=C1Cl 32091 [0,1,0,0,0,0|0,1,0]=2 476 B9R1.15 ClCC1=NC=CC=C1Cl 27217 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.15 N#CC1=C(Br)C=CN=C1 17650 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.15 N#CC1=C(Br)N=CC=C1 35805 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.15 N#CC1=C(I)N=CC=C1 34249 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.15 N#CC1=CC=CN=C1Cl 2573 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.15 N#CC1=CC=CN=C1F 1108 [0,1,0,0,0,0|3,0,0]=4 482 B9R1.15 N#CC1=CC=CN=C1N 5584 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.15 N#CC1=CC=CN=C1O 20421 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.15 N#CC1=CC=CN=C1O 6539 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.15 N#CC1=CN=CC=C1O 13974 [0,1,0,0,0,0|3,0,0]=4 486 B9R1.15 N#CC1=NC=CC=C1Br 2263 [0,1,0,0,0,0|3,0,0]=4 487 B9R1.15 N#CC1=NC=CC=C1Cl 14368 [0,1,0,0,0,0|3,0,0]=4 488 B9R1.15 N#CC1=NC=CC=C1F 16434 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.15 N#CC1=NC=CC=C1I 15743 [0,1,0,0,0,0|3,0,0]=4 490 B9R1.15 N#CC1=NC=CC=C1N 7667 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.15 N#CC1=NC=CC=C1O 9231 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.15 N#CC1=NC=CN=C1Br 34146 [0,1,0,0,0,0|2,0,0]=3 493 B9R1.15 N#CC1=NC=CN=C1Cl 10180 [0,1,0,0,0,0|2,0,0]=3 494 B9R1.15 N#CC1=NC=CN=C1N 32120 [0,1,0,0,0,0|2,0,0]=3 495 B9R1.15 NC1=C(C=O)C=NC=C1 7681 [0,1,0,0,0,0|3,0,0]=4 496 B9R1.15 NC1=C(CO)C=NC=C1 26901 [0,1,0,0,0,0|3,0,0]=4 497 B9R1.15 NC1=CC=CN=C1C=O 7680 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.15 NC1=CC=CN=C1CO 35900 [0,1,0,0,0,0|3,0,0]=4 499 B9R1.15 NC1=NC=CC=C1C=O 1262 [0,1,0,0,0,0|3,0,0]=4 500 B9R1.15 NC1=NC=CC=C1CO 7688 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.15 NCC1=CC=CN=C1Cl 17749 [0,1,0,0,0,0|3,0,0]=4 502 B9R1.15 NCC1=NC=CC=C1O 34602 [0,1,0,0,0,0|3,0,0]=4 503 B9R1.15 NCC1=NC=CN=C1Cl 32131 [0,1,0,0,0,0|2,0,0]=3 504 B9R1.15 NNC1=NC=CC=C1Cl 6444 [0,1,0,0,0,0|3,0,0]=4 505 B9R1.15 NNC1=NC=CC=C1F 19894 [0,1,0,0,0,0|3,0,0]=4 506 B9R1.15 O=CC1=C(Br)C=CN=C1 5061 [0,1,0,0,0,0|3,0,0]=4 507 B9R1.15 O=CC1=C(Cl)C=CN=C1 7359 [0,1,0,0,0,0|3,0,0]=4 508 B9R1.15 O=CC1=C(O)N=CC=C1 17177 [0,1,0,0,0,0|3,0,0]=4 509 B9R1.15 O=CC1=CC=CN=C1Br 5057 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.15 O=CC1=CC=CN=C1Cl 31630 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.15 O=CC1=CC=CN=C1Cl 5097 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.15 O=CC1=CC=CN=C1F 5131 [0,1,0,0,0,0|3,0,0]=4 513 B9R1.15 O=CC1=NC=CC=C1Br 15122 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.15 O=CC1=NC=CC=C1Cl 17163 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.15 O=CC1=NC=CC=C1F 5142 [0,1,0,0,0,0|3,0,0]=4 516 B9R1.15 O=CC1=NC=CC=C1O 12415 [0,1,0,0,0,0|3,0,0]=4 517 B9R1.15 O=CC1=NC=CN=C1Cl 32137 [0,1,0,0,0,0|2,0,0]=3 518 B9R1.15 OCC1=C(Cl)C=CN=C1 12981 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.15 OCC1=CC=CN=C1Cl 12984 [0,1,0,0,0,0|3,0,0]=4 520 B9R1.15 OCC1=CC=CN=C1F 7351 [0,1,0,0,0,0|3,0,0]=4 521 B9R1.15 OCC1=NC=CC=C1F 15108 [0,1,0,0,0,0|3,0,0]=4 522 B9R1.15 OCC1=NC=CC=C1O 4075 [0,1,0,0,0,0|3,0,0]=4 523 B9R1.15 OCC1=NC=CN=C1Cl 32144 [0,1,0,0,0,0|2,0,0]=3 524 B7R0.3 C=CCOC(=O)OC 26330 [0,0,1,0,0,0|3,0,0]=4 525 B9R2.50 C1=CC=C2CCC2=C1 18889 [0,0,0,1,0,0|3,0,0]=4 526 B7R1.1 BrCC1=CC=NS1 22267 [0,0,0,0,1,0|3,0,0]=4 527 B7R1.1 BrCC1=CN=CO1 16901 [0,0,0,0,1,0|3,0,0]=4 528 B7R1.1 BrCC1=CSC=C1 5295 [0,0,0,0,1,0|3,0,0]=4 529 B7R1.1 BrCC1=NNC=C1 14336 [0,0,0,0,1,0|3,0,0]=4 530 B7R1.1 C#CC1=CC=CS1 16123 [0,0,0,0,1,0|2,0,1]=4 531 B7R1.1 C#CC1=CSC=C1 16122 [0,0,0,0,1,0|2,0,1]=4 532 B7R1.1 C=CN1C=CN=C1 9440 [0,0,0,0,1,0|2,0,1]=4 533 B7R1.1 CCC1=CC=CS1 5536 [0,0,0,0,1,0|2,0,0]=3 534 B7R1.1 CCC1=NC=CN1 15972 [0,0,0,0,1,0|1,0,1]=3 535 B7R1.1 CCC1=NNN=N1 32073 [0,0,0,0,1,0|3,0,0]=4 536 B7R1.1 CCN1C=CC=C1 35829 [0,0,0,0,1,0|3,0,0]=4 537 B7R1.1 CCN1C=CN=C1 7605 [0,0,0,0,1,0|2,0,0]=3 538 B7R1.1 CNC1=CC=NN1 7850 [0,0,0,0,1,0|2,0,0]=3 539 B7R1.1 CNC1=NC=CS1 23919 [0,0,0,0,1,0|2,0,0]=3 540 B7R1.1 COC1=CC=CO1 19998 [0,0,0,0,1,0|1,0,0]=2 541 B7R1.1 COC1=CC=CS1 12545 [0,0,0,0,1,0|1,0,0]=2 542 B7R1.1 COC1=CSC=C1 8863 [0,0,0,0,1,0|1,0,0]=2 543 B7R1.1 CSC1=CNC=N1 14136 [0,0,0,0,1,0|0,1,1]=3 544 B7R1.1 CSC1=NC=CO1 24606 [0,0,0,0,1,0|1,1,0]=3 545 B7R1.1 CSC1=NN=NN1 9169 [0,0,0,0,1,0|2,1,0]=4 546 B7R1.1 ClCC1=NC=CO1 17601 [0,0,0,0,1,0|3,0,0]=4 547 B7R1.1 ClCC1=NNC=C1 27656 [0,0,0,0,1,0|3,0,0]=4 548 B7R1.1 N#CC1=CC=CO1 6961 [0,0,0,0,1,0|3,0,0]=4 549 B7R1.1 N#CC1=CC=CS1 5215 [0,0,0,0,1,0|3,0,0]=4 550 B7R1.1 N#CC1=CNC=C1 9143 [0,0,0,0,1,0|2,0,1]=4 551 B7R1.1 N#CC1=CNC=N1 18770 [0,0,0,0,1,0|2,0,1]=4 552 B7R1.1 N#CC1=CNN=C1 35534 [0,0,0,0,1,0|3,0,0]=4 553 B7R1.1 N#CC1=CSC=C1 12351 [0,0,0,0,1,0|3,0,0]=4 554 B7R1.1 N#CC1=CSC=C1 5508 [0,0,0,0,1,0|3,0,0]=4 555 B7R1.1 N#CC1=CSC=N1 35762 [0,0,0,0,1,0|3,0,0]=4 556 B7R1.1 N#CC1=NNC=C1 14331 [0,0,0,0,1,0|3,0,0]=4 557 B7R1.1 N#CC1=NNC=N1 13583 [0,0,0,0,1,0|3,0,0]=4 558 B7R1.1 N#CC1=NSC=C1 20163 [0,0,0,0,1,0|3,0,0]=4 559 B7R1.1 NCC1=CC=CO1 6967 [0,0,0,0,1,0|3,0,0]=4 560 B7R1.1 NCC1=CC=CS1 22278 [0,0,0,0,1,0|3,0,0]=4 561 B7R1.1 NCC1=CC=CS1 5606 [0,0,0,0,1,0|3,0,0]=4 562 B7R1.1 NCC1=CC=NN1 14846 [0,0,0,0,1,0|3,0,0]=4 563 B7R1.1 NCC1=COC=N1 24611 [0,0,0,0,1,0|3,0,0]=4 564 B7R1.1 NCC1=CSC=C1 12348 [0,0,0,0,1,0|3,0,0]=4 565 B7R1.1 NCC1=NC=CN1 15933 [0,0,0,0,1,0|2,0,1]=4 566 B7R1.1 NCC1=NC=CN1 16027 [0,0,0,0,1,0|2,0,1]=4 567 B7R1.1 NCC1=NC=CN1 16028 [0,0,0,0,1,0|2,0,1]=4 568 B7R1.1 NCC1=NC=CO1 15935 [0,0,0,0,1,0|3,0,0]=4 569 B7R1.1 NCC1=NOC=C1 15836 [0,0,0,0,1,0|3,0,0]=4 570 B7R1.1 NCc1nccs1 15843 [0,0,0,0,1,0|3,0,0]=4 571 B7R1.1 NNC1=NC=CN1 35367 [0,0,0,0,1,0|2,0,1]=4 572 B7R1.1 O=CC1=CC=CN1 28928 [0,0,0,0,1,0|2,0,1]=4 573 B7R1.1 O=CC1=CC=CN1 9140 [0,0,0,0,1,0|2,0,1]=4 574 B7R1.1 O=CC1=CC=CO1 24739 [0,0,0,0,1,0|3,0,0]=4 575 B7R1.1 O=CC1=CC=CS1 5153 [0,0,0,0,1,0|3,0,0]=4 576 B7R1.1 O=CC1=CN=CS1 14219 [0,0,0,0,1,0|3,0,0]=4 577 B7R1.1 O=CC1=CNC=C1 18051 [0,0,0,0,1,0|2,0,1]=4 578 B7R1.1 O=CC1=CNC=N1 8980 [0,0,0,0,1,0|2,0,1]=4 579 B7R1.1 O=CC1=CNN=C1 23658 [0,0,0,0,1,0|3,0,0]=4 580 B7R1.1 O=CC1=CNN=C1 36037 [0,0,0,0,1,0|3,0,0]=4 581 B7R1.1 O=CC1=CNN=C1 36038 [0,0,0,0,1,0|3,0,0]=4 582 B7R1.1 O=CC1=COC=C1 6948 [0,0,0,0,1,0|3,0,0]=4 583 B7R1.1 O=CC1=CSC=C1 5176 [0,0,0,0,1,0|3,0,0]=4 584 B7R1.1 O=CC1=CSC=N1 13812 [0,0,0,0,1,0|3,0,0]=4 585 B7R1.1 O=CC1=NC=CN1 8045 [0,0,0,0,1,0|2,0,1]=4 586 B7R1.1 O=CC1=NC=CO1 17600 [0,0,0,0,1,0|3,0,0]=4 587 B7R1.1 O=CC1=NC=CS1 9929 [0,0,0,0,1,0|3,0,0]=4 588 B7R1.1 O=CC1=NNC=C1 14337 [0,0,0,0,1,0|3,0,0]=4 589 B7R1.1 O=CC1=NOC=C1 14352 [0,0,0,0,1,0|3,0,0]=4 590 B7R1.1 OCC1=CC=CO1 19996 [0,0,0,0,1,0|3,0,0]=4 591 B7R1.1 OCC1=CC=CS1 5603 [0,0,0,0,1,0|3,0,0]=4 592 B7R1.1 OCC1=CC=NO1 24993 [0,0,0,0,1,0|3,0,0]=4 593 B7R1.1 OCC1=CN=CS1 10259 [0,0,0,0,1,0|3,0,0]=4 594 B7R1.1 OCC1=CN=CS1 20003 [0,0,0,0,1,0|3,0,0]=4 595 B7R1.1 OCC1=CNC=N1 9502 [0,0,0,0,1,0|2,0,1]=4 596 B7R1.1 OCC1=CNN=C1 23620 [0,0,0,0,1,0|3,0,0]=4 597 B7R1.1 OCC1=COC=C1 6951 [0,0,0,0,1,0|3,0,0]=4 598 B7R1.1 OCC1=CSC=C1 8860 [0,0,0,0,1,0|3,0,0]=4 599 B7R1.1 OCC1=NC=CS1 10257 [0,0,0,0,1,0|3,0,0]=4 600 B7R1.1 OCC1=NNC=C1 14333 [0,0,0,0,1,0|3,0,0]=4 601 B7R1.1 OCC1=NOC=C1 24952 [0,0,0,0,1,0|3,0,0]=4 602 B7R1.1 OCN1C=CC=N1 7853 [0,0,0,0,1,0|3,0,0]=4 603 B7R1.1 OCN1C=CN=C1 8052 [0,0,0,0,1,0|3,0,0]=4 604 B7R1.1 SCC1=CC=CO1 10566 [0,0,0,0,1,0|3,0,0]=4 605 B6R0.1 COC(=O)\C=C\F 12658 [1,0,1,0,0,0|2,0,0]=4 606 B6R0.1 COC(=O)\C=C\I 11669 [1,0,1,0,0,0|2,0,0]=4 607 B6R1.1 C1=CC=NC=C1 13729 [2,0,0,0,0,0|1,0,0]=3 608 B6R1.1 C1=CC=NC=C1 18634 [2,0,0,0,0,0|1,0,0]=3 609 B6R1.1 C1=CC=NC=C1 2590 [2,0,0,0,0,0|1,0,0]=3 610 B6R1.1 C1=CC=NC=C1 30334 [2,0,0,0,0,0|1,0,0]=3 611 B6R1.1 C1=CC=NC=C1 35414 [2,0,0,0,0,0|1,0,0]=3 612 B6R1.1 C1=CC=[NH+]C=C1 15908 [2,0,0,0,0,0|1,0,1]=4 613 B6R1.1 C1=CC=[NH+]C=C1 15909 [2,0,0,0,0,0|1,0,1]=4 614 B6R1.1 C1=CN=CC=N1 16607 [2,0,0,0,0,0|0,0,0]=2 615 B6R1.1 C1=CN=CN=C1 13257 [2,0,0,0,0,0|2,0,0]=4 616 B6R1.1 C1=CN=NC=C1 17789 [2,0,0,0,0,0|2,0,0]=4 617 B6R1.1 c1ccccc1 36262 [2,0,0,0,0,0|2,0,0]=4 618 B8R1.3 BrC1=CN=C(Br)C=C1 1111 [1,1,0,0,0,0|2,0,0]=4 619 B8R1.3 BrC1=CN=C(Br)C=N1 18033 [1,1,0,0,0,0|1,0,0]=3 620 B8R1.3 BrC1=CN=C(I)C=C1 2409 [1,1,0,0,0,0|2,0,0]=4 621 B8R1.3 BrC1=NC=C(I)C=C1 5969 [1,1,0,0,0,0|2,0,0]=4 622 B8R1.3 BrC1=NC=C(I)N=C1 22622 [1,1,0,0,0,0|1,0,0]=3 623 B8R1.3 CC1=CC=C(Br)C=C1 21011 [1,1,0,0,0,0|2,0,0]=4 624 B8R1.3 CC1=CC=C(Br)N=N1 28224 [1,1,0,0,0,0|2,0,0]=4 625 B8R1.3 CC1=CC=C(C)N=N1 20402 [1,1,0,0,0,0|2,0,0]=4 626 B8R1.3 CC1=CC=C(Cl)C=C1 19750 [1,1,0,0,0,0|2,0,0]=4 627 B8R1.3 CC1=CC=C(Cl)N=N1 10467 [1,1,0,0,0,0|2,0,0]=4 628 B8R1.3 CC1=CC=C(F)C=C1 12887 [1,1,0,0,0,0|2,0,0]=4 629 B8R1.3 CC1=CC=C(I)C=C1 4548 [1,1,0,0,0,0|2,0,0]=4 630 B8R1.3 CC1=CC=C(O)C=C1 23326 [1,1,0,0,0,0|2,0,0]=4 631 B8R1.3 CC1=CC=C(S)C=C1 6809 [1,1,0,0,0,0|2,0,0]=4 632 B8R1.3 CC1=CN=C(Br)C=C1 1185 [1,1,0,0,0,0|1,0,0]=3 633 B8R1.3 CC1=CN=C(Br)C=N1 18038 [1,1,0,0,0,0|0,0,0]=2 634 B8R1.3 CC1=CN=C(Br)N=C1 34383 [1,1,0,0,0,0|2,0,0]=4 635 B8R1.3 CC1=CN=C(C)C=C1 20994 [1,1,0,0,0,0|1,0,0]=3 636 B8R1.3 CC1=CN=C(C)C=N1 8608 [1,1,0,0,0,0|0,0,0]=2 637 B8R1.3 CC1=CN=C(Cl)C=C1 1193 [1,1,0,0,0,0|1,0,0]=3 638 B8R1.3 CC1=CN=C(Cl)N=C1 11095 [1,1,0,0,0,0|2,0,0]=4 639 B8R1.3 CC1=CN=C(F)C=C1 4059 [1,1,0,0,0,0|1,0,0]=3 640 B8R1.3 CC1=CN=C(I)N=C1 34875 [1,1,0,0,0,0|2,0,0]=4 641 B8R1.3 CC1=CN=C(N)C=C1 1159 [1,1,0,0,0,0|1,0,0]=3 642 B8R1.3 CC1=CN=C(N)C=N1 15710 [1,1,0,0,0,0|0,0,0]=2 643 B8R1.3 CC1=CN=C(O)C=C1 14321 [1,1,0,0,0,0|1,0,0]=3 644 B8R1.3 CC1=CN=C(O)C=C1 27251 [1,1,0,0,0,0|1,0,0]=3 645 B8R1.3 CC1=NC=C(Br)C=C1 4058 [1,1,0,0,0,0|1,0,0]=3 646 B8R1.3 CC1=NC=C(Br)C=N1 15231 [1,1,0,0,0,0|2,0,0]=4 647 B8R1.3 CC1=NC=C(Cl)C=C1 6694 [1,1,0,0,0,0|1,0,0]=3 648 B8R1.3 CC1=NC=C(F)C=C1 2224 [1,1,0,0,0,0|1,0,0]=3 649 B8R1.3 CC1=NC=C(I)C=C1 6698 [1,1,0,0,0,0|1,0,0]=3 650 B8R1.3 CC1=NC=C(N)C=C1 1280 [1,1,0,0,0,0|1,0,0]=3 651 B8R1.3 CC1=NC=C(N)C=N1 22766 [1,1,0,0,0,0|2,0,0]=4 652 B8R1.3 CC1=NC=C(O)C=C1 6696 [1,1,0,0,0,0|1,0,0]=3 653 B8R1.3 CC1=NC=C(O)C=N1 21855 [1,1,0,0,0,0|2,0,0]=4 654 B8R1.3 CC1=NNC(=O)C=C1 28171 [1,1,0,0,0,0|2,0,0]=4 655 B8R1.3 ClC1=CN=C(Br)C=C1 1169 [1,1,0,0,0,0|2,0,0]=4 656 B8R1.3 ClC1=CN=C(Cl)C=C1 1199 [1,1,0,0,0,0|2,0,0]=4 657 B8R1.3 ClC1=CN=C(Cl)C=N1 23583 [1,1,0,0,0,0|1,0,0]=3 658 B8R1.3 ClC1=CN=C(I)C=C1 6574 [1,1,0,0,0,0|2,0,0]=4 659 B8R1.3 ClC1=NC=C(Br)C=C1 1168 [1,1,0,0,0,0|2,0,0]=4 660 B8R1.3 ClC1=NC=C(I)C=C1 2078 [1,1,0,0,0,0|2,0,0]=4 661 B8R1.3 FC1=CN=C(Br)C=C1 1099 [1,1,0,0,0,0|2,0,0]=4 662 B8R1.3 FC1=CN=C(Br)C=N1 27381 [1,1,0,0,0,0|1,0,0]=3 663 B8R1.3 FC1=CN=C(Cl)C=C1 1097 [1,1,0,0,0,0|2,0,0]=4 664 B8R1.3 FC1=CN=C(F)C=C1 14398 [1,1,0,0,0,0|2,0,0]=4 665 B8R1.3 FC1=NC=C(Br)C=C1 3550 [1,1,0,0,0,0|2,0,0]=4 666 B8R1.3 FC1=NC=C(Cl)C=C1 1186 [1,1,0,0,0,0|2,0,0]=4 667 B8R1.3 FC1=NC=C(I)C=C1 6324 [1,1,0,0,0,0|2,0,0]=4 668 B8R1.3 IC1=CN=C(I)C=C1 5524 [1,1,0,0,0,0|2,0,0]=4 669 B8R1.3 NC1=CC=C(O)C=C1 22199 [1,1,0,0,0,0|2,0,0]=4 670 B8R1.3 NC1=CN=C(Br)C=C1 1100 [1,1,0,0,0,0|2,0,0]=4 671 B8R1.3 NC1=CN=C(Cl)C=C1 2406 [1,1,0,0,0,0|2,0,0]=4 672 B8R1.3 NC1=CN=C(F)C=C1 1155 [1,1,0,0,0,0|2,0,0]=4 673 B8R1.3 NC1=CN=C(I)C=C1 6572 [1,1,0,0,0,0|2,0,0]=4 674 B8R1.3 NC1=CN=C(N)C=C1 13202 [1,1,0,0,0,0|2,0,0]=4 675 B8R1.3 NC1=CN=C(N)C=C1 5497 [1,1,0,0,0,0|2,0,0]=4 676 B8R1.3 NC1=CN=C(O)C=C1 14125 [1,1,0,0,0,0|1,0,0]=3 677 B8R1.3 NC1=CN=C(O)C=C1 6563 [1,1,0,0,0,0|1,0,0]=3 678 B8R1.3 NC1=NC=C(Br)C=C1 1107 [1,1,0,0,0,0|2,0,0]=4 679 B8R1.3 NC1=NC=C(Br)N=C1 8867 [1,1,0,0,0,0|1,0,0]=3 680 B8R1.3 NC1=NC=C(Cl)C=C1 1153 [1,1,0,0,0,0|2,0,0]=4 681 B8R1.3 NC1=NC=C(Cl)N=C1 17501 [1,1,0,0,0,0|1,0,0]=3 682 B8R1.3 NC1=NC=C(F)C=C1 1109 [1,1,0,0,0,0|2,0,0]=4 683 B8R1.3 NC1=NC=C(I)C=C1 2407 [1,1,0,0,0,0|2,0,0]=4 684 B8R1.3 NC1=NC=C(I)N=C1 23605 [1,1,0,0,0,0|1,0,0]=3 685 B8R1.3 NC1=NC=C(O)C=C1 5754 [1,1,0,0,0,0|1,0,0]=3 686 B8R1.3 NC1=NC=C(O)C=N1 21503 [1,1,0,0,0,0|2,0,0]=4 687 B8R1.3 NC1=NC=C(O)N=C1 35940 [1,1,0,0,0,0|0,0,0]=2 688 B8R1.3 OC1=CC=C(Br)C=C1 19708 [1,1,0,0,0,0|2,0,0]=4 689 B8R1.3 OC1=CC=C(Br)N=C1 24844 [1,1,0,0,0,0|1,0,0]=3 690 B8R1.3 OC1=CC=C(Cl)C=C1 22009 [1,1,0,0,0,0|2,0,0]=4 691 B8R1.3 OC1=CC=C(Cl)N=N1 26471 [1,1,0,0,0,0|2,0,0]=4 692 B8R1.3 OC1=CC=C(F)C=C1 2314 [1,1,0,0,0,0|2,0,0]=4 693 B8R1.3 OC1=CC=C(I)C=C1 3199 [1,1,0,0,0,0|2,0,0]=4 694 B8R1.3 OC1=CC=C(O)C=C1 9139 [1,1,0,0,0,0|2,0,0]=4 695 B8R1.3 OC1=CC=C(O)N=N1 15702 [1,1,0,0,0,0|2,0,0]=4 696 B8R1.3 OC1=CC=C(S)C=C1 2464 [1,1,0,0,0,0|2,0,0]=4 697 B8R1.3 OC1=CN=C(Br)C=C1 5967 [1,1,0,0,0,0|1,0,0]=3 698 B8R1.3 OC1=CN=C(Br)C=N1 7870 [1,1,0,0,0,0|0,0,0]=2 699 B8R1.3 OC1=CN=C(Cl)C=C1 2410 [1,1,0,0,0,0|1,0,0]=3 700 B8R1.3 OC1=CN=C(Cl)N=C1 10664 [1,1,0,0,0,0|2,0,0]=4 701 B8R1.3 OC1=CN=C(F)C=C1 6321 [1,1,0,0,0,0|1,0,0]=3 702 B8R1.3 OC1=CN=C(O)C=C1 5522 [1,1,0,0,0,0|1,0,0]=3 703 B8R1.3 OC1=NC=C(Br)C=C1 1178 [1,1,0,0,0,0|1,0,0]=3 704 B8R1.3 OC1=NC=C(Br)C=N1 24602 [1,1,0,0,0,0|2,0,0]=4 705 B8R1.3 OC1=NC=C(Cl)C=C1 1187 [1,1,0,0,0,0|1,0,0]=3 706 B8R1.3 OC1=NC=C(Cl)C=N1 7009 [1,1,0,0,0,0|2,0,0]=4 707 B8R1.3 OC1=NC=C(Cl)N=C1 23585 [1,1,0,0,0,0|0,0,0]=2 708 B8R1.3 OC1=NC=C(F)C=C1 6566 [1,1,0,0,0,0|1,0,0]=3 709 B8R1.3 OC1=NC=C(I)C=C1 6567 [1,1,0,0,0,0|1,0,0]=3 710 B8R1.3 SC1=NC=C(Cl)C=C1 19566 [1,1,0,0,0,0|1,1,0]=4 711 B8R1.4 BrC1=CC(Br)=NC=C1 5452 [1,1,0,0,0,0|2,0,0]=4 712 B8R1.4 BrC1=CC(Br)=NC=C1 5453 [1,1,0,0,0,0|2,0,0]=4 713 B8R1.4 BrC1=CC(I)=CN=C1 8080 [1,1,0,0,0,0|2,0,0]=4 714 B8R1.4 BrC1=CC=CC(Br)=N1 3204 [1,1,0,0,0,0|2,0,0]=4 715 B8R1.4 BrC1=CN=CC(Br)=C1 2133 [1,1,0,0,0,0|2,0,0]=4 716 B8R1.4 BrC1=CN=CC(Br)=N1 32156 [1,1,0,0,0,0|1,0,0]=3 717 B8R1.4 BrC1=NC=CC(I)=C1 5956 [1,1,0,0,0,0|2,0,0]=4 718 B8R1.4 CC1=CC(=O)NN=C1 11016 [1,1,0,0,0,0|2,0,0]=4 719 B8R1.4 CC1=CC(Br)=CC=C1 3836 [1,1,0,0,0,0|2,0,0]=4 720 B8R1.4 CC1=CC(Br)=NC=C1 1184 [1,1,0,0,0,0|2,0,0]=4 721 B8R1.4 CC1=CC(Br)=NC=N1 23632 [1,1,0,0,0,0|2,0,0]=4 722 B8R1.4 CC1=CC(C)=NC=C1 20508 [1,1,0,0,0,0|1,0,0]=3 723 B8R1.4 CC1=CC(C)=NC=N1 21498 [1,1,0,0,0,0|2,0,0]=4 724 B8R1.4 CC1=CC(Cl)=CC=C1 3678 [1,1,0,0,0,0|2,0,0]=4 725 B8R1.4 CC1=CC(Cl)=NC=C1 1192 [1,1,0,0,0,0|2,0,0]=4 726 B8R1.4 CC1=CC(Cl)=NC=N1 13240 [1,1,0,0,0,0|2,0,0]=4 727 B8R1.4 CC1=CC(F)=NC=C1 1203 [1,1,0,0,0,0|2,0,0]=4 728 B8R1.4 CC1=CC(I)=CC=C1 12585 [1,1,0,0,0,0|2,0,0]=4 729 B8R1.4 CC1=CC(I)=NC=C1 13513 [1,1,0,0,0,0|2,0,0]=4 730 B8R1.4 CC1=CC(N)=NC=C1 2238 [1,1,0,0,0,0|2,0,0]=4 731 B8R1.4 CC1=CC(O)=NC=C1 1206 [1,1,0,0,0,0|1,0,0]=3 732 B8R1.4 CC1=CC(O)=NC=N1 11013 [1,1,0,0,0,0|2,0,0]=4 733 B8R1.4 CC1=CC=CC(Br)=N1 1139 [1,1,0,0,0,0|1,0,0]=3 734 B8R1.4 CC1=CC=CC(C)=N1 14295 [1,1,0,0,0,0|1,0,0]=3 735 B8R1.4 CC1=CC=CC(C)=N1 15897 [1,1,0,0,0,0|1,0,0]=3 736 B8R1.4 CC1=CC=CC(Cl)=N1 1194 [1,1,0,0,0,0|1,0,0]=3 737 B8R1.4 CC1=CC=CC(F)=C1 24460 [1,1,0,0,0,0|2,0,0]=4 738 B8R1.4 CC1=CC=CC(F)=N1 6443 [1,1,0,0,0,0|1,0,0]=3 739 B8R1.4 CC1=CC=CC(I)=N1 34165 [1,1,0,0,0,0|1,0,0]=3 740 B8R1.4 CC1=CC=CC(N)=N1 5922 [1,1,0,0,0,0|1,0,0]=3 741 B8R1.4 CC1=CC=CC(O)=N1 1114 [1,1,0,0,0,0|1,0,0]=3 742 B8R1.4 CC1=CC=CC(S)=C1 6808 [1,1,0,0,0,0|2,0,0]=4 743 B8R1.4 CC1=CC=C[N+]([O-])=C1 25351 [1,1,0,0,0,0|1,0,1]=4 744 B8R1.4 CC1=CN=CC(Br)=C1 4036 [1,1,0,0,0,0|1,0,0]=3 745 B8R1.4 CC1=CN=CC(Br)=N1 32151 [1,1,0,0,0,0|0,0,0]=2 746 B8R1.4 CC1=CN=CC(C)=N1 8609 [1,1,0,0,0,0|0,0,0]=2 747 B8R1.4 CC1=CN=CC(Cl)=N1 18034 [1,1,0,0,0,0|0,0,0]=2 748 B8R1.4 CC1=CN=CC(F)=C1 10630 [1,1,0,0,0,0|1,0,0]=3 749 B8R1.4 CC1=CN=CC(N)=C1 1279 [1,1,0,0,0,0|1,0,0]=3 750 B8R1.4 CC1=CN=CC(N)=C1 9634 [1,1,0,0,0,0|1,0,0]=3 751 B8R1.4 CC1=CN=CC(N)=N1 32122 [1,1,0,0,0,0|0,0,0]=2 752 B8R1.4 CC1=CN=CC(O)=C1 6629 [1,1,0,0,0,0|1,0,0]=3 753 B8R1.4 CC1=CN=NC(Cl)=C1 11014 [1,1,0,0,0,0|2,0,0]=4 754 B8R1.4 CC1=NC(Br)=NC=C1 7007 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.4 CC1=NC(Cl)=NC=C1 6906 [1,1,0,0,0,0|2,0,0]=4 756 B8R1.4 CC1=NC(N)=NC=C1 6978 [1,1,0,0,0,0|2,0,0]=4 757 B8R1.4 CC1=NC(O)=NC=C1 22005 [1,1,0,0,0,0|2,0,0]=4 758 B8R1.4 CC1=NC(S)=NC=C1 21990 [1,1,0,0,0,0|2,0,0]=4 759 B8R1.4 CC1=NC=CC(Br)=C1 4035 [1,1,0,0,0,0|1,0,0]=3 760 B8R1.4 CC1=NC=CC(Cl)=C1 2071 [1,1,0,0,0,0|1,0,0]=3 761 B8R1.4 CC1=NC=CC(Cl)=N1 16387 [1,1,0,0,0,0|2,0,0]=4 762 B8R1.4 CC1=NC=CC(F)=C1 21038 [1,1,0,0,0,0|1,0,0]=3 763 B8R1.4 CC1=NC=CC(N)=C1 1118 [1,1,0,0,0,0|1,0,0]=3 764 B8R1.4 CC1=NC=CC(O)=C1 17657 [1,1,0,0,0,0|1,0,0]=3 765 B8R1.4 ClC1=CC(Br)=NC=C1 13533 [1,1,0,0,0,0|2,0,0]=4 766 B8R1.4 ClC1=CC(Cl)=NC=C1 3531 [1,1,0,0,0,0|2,0,0]=4 767 B8R1.4 ClC1=CC(I)=CN=C1 16622 [1,1,0,0,0,0|2,0,0]=4 768 B8R1.4 ClC1=CC(I)=NC=C1 33538 [1,1,0,0,0,0|2,0,0]=4 769 B8R1.4 ClC1=CC=CC(Br)=N1 9626 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.4 ClC1=CC=CC(Cl)=N1 2564 [1,1,0,0,0,0|2,0,0]=4 771 B8R1.4 ClC1=CN=CC(Br)=C1 7700 [1,1,0,0,0,0|2,0,0]=4 772 B8R1.4 ClC1=CN=CC(Cl)=C1 13506 [1,1,0,0,0,0|2,0,0]=4 773 B8R1.4 ClC1=CN=CC(Cl)=N1 8548 [1,1,0,0,0,0|1,0,0]=3 774 B8R1.4 ClC1=NC(I)=CC=C1 8082 [1,1,0,0,0,0|2,0,0]=4 775 B8R1.4 ClC1=NC=CC(Br)=C1 1171 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.4 ClC1=NC=CC(I)=C1 2579 [1,1,0,0,0,0|2,0,0]=4 777 B8R1.4 FC1=CC(Br)=NC=C1 3004 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.4 FC1=CC(Cl)=NC=C1 6180 [1,1,0,0,0,0|2,0,0]=4 779 B8R1.4 FC1=CC(F)=NC=C1 16929 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.4 FC1=CC(I)=CN=C1 36304 [1,1,0,0,0,0|2,0,0]=4 781 B8R1.4 FC1=CC=CC(Br)=N1 26678 [1,1,0,0,0,0|2,0,0]=4 782 B8R1.4 FC1=CC=CC(Cl)=N1 9216 [1,1,0,0,0,0|2,0,0]=4 783 B8R1.4 FC1=CC=CC(F)=N1 9241 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.4 FC1=CN=CC(Br)=C1 3964 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.4 FC1=CN=CC(Cl)=C1 6620 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.4 FC1=CN=CC(F)=C1 10556 [1,1,0,0,0,0|2,0,0]=4 787 B8R1.4 FC1=NC(Br)=CC=C1 14324 [1,1,0,0,0,0|2,0,0]=4 788 B8R1.4 FC1=NC=CC(Br)=C1 1228 [1,1,0,0,0,0|2,0,0]=4 789 B8R1.4 FC1=NC=CC(Cl)=C1 13535 [1,1,0,0,0,0|2,0,0]=4 790 B8R1.4 FC1=NC=CC(I)=C1 3510 [1,1,0,0,0,0|2,0,0]=4 791 B8R1.4 IC1=CC=CC(I)=N1 9247 [1,1,0,0,0,0|2,0,0]=4 792 B8R1.4 NC1=CC(Br)=CN=C1 1213 [1,1,0,0,0,0|2,0,0]=4 793 B8R1.4 NC1=CC(Br)=NC=C1 1222 [1,1,0,0,0,0|2,0,0]=4 794 B8R1.4 NC1=CC(Cl)=CN=C1 33660 [1,1,0,0,0,0|2,0,0]=4 795 B8R1.4 NC1=CC(Cl)=NC=C1 1248 [1,1,0,0,0,0|2,0,0]=4 796 B8R1.4 NC1=CC(F)=CN=C1 1260 [1,1,0,0,0,0|2,0,0]=4 797 B8R1.4 NC1=CC(F)=NC=C1 1227 [1,1,0,0,0,0|2,0,0]=4 798 B8R1.4 NC1=CC(I)=CN=C1 27047 [1,1,0,0,0,0|2,0,0]=4 799 B8R1.4 NC1=CC(N)=NC=C1 5418 [1,1,0,0,0,0|2,0,0]=4 800 B8R1.4 NC1=CC(O)=NC=C1 6648 [1,1,0,0,0,0|1,0,0]=3 801 B8R1.4 NC1=CC=CC(N)=N1 15371 [1,1,0,0,0,0|2,0,0]=4 802 B8R1.4 NC1=CC=CC(O)=C1 18119 [1,1,0,0,0,0|2,0,0]=4 803 B8R1.4 NC1=CC=CC(O)=N1 25861 [1,1,0,0,0,0|1,0,0]=3 804 B8R1.4 NC1=CN=CC(N)=C1 2257 [1,1,0,0,0,0|2,0,0]=4 805 B8R1.4 NC1=CN=CC(N)=N1 32132 [1,1,0,0,0,0|1,0,0]=3 806 B8R1.4 NC1=CN=CC(O)=C1 6627 [1,1,0,0,0,0|1,0,0]=3 807 B8R1.4 NC1=NC(Br)=CC=C1 17525 [1,1,0,0,0,0|2,0,0]=4 808 B8R1.4 NC1=NC(Br)=CC=C1 7663 [1,1,0,0,0,0|2,0,0]=4 809 B8R1.4 NC1=NC(Br)=CN=C1 32146 [1,1,0,0,0,0|1,0,0]=3 810 B8R1.4 NC1=NC(Cl)=CC=C1 9117 [1,1,0,0,0,0|2,0,0]=4 811 B8R1.4 NC1=NC(Cl)=CN=C1 8386 [1,1,0,0,0,0|1,0,0]=3 812 B8R1.4 NC1=NC(Cl)=CN=C1 8543 [1,1,0,0,0,0|1,0,0]=3 813 B8R1.4 NC1=NC(F)=CC=C1 2979 [1,1,0,0,0,0|2,0,0]=4 814 B8R1.4 NC1=NC(I)=CC=C1 26933 [1,1,0,0,0,0|2,0,0]=4 815 B8R1.4 NC1=NC=CC(Br)=C1 4039 [1,1,0,0,0,0|2,0,0]=4 816 B8R1.4 NC1=NC=CC(Cl)=C1 5695 [1,1,0,0,0,0|2,0,0]=4 817 B8R1.4 NC1=NC=CC(F)=C1 19911 [1,1,0,0,0,0|2,0,0]=4 818 B8R1.4 NC1=NC=CC(O)=C1 6677 [1,1,0,0,0,0|2,0,0]=4 819 B8R1.4 NC1=NC=NC(O)=C1 6996 [1,1,0,0,0,0|2,0,0]=4 820 B8R1.4 OC1=CC(Br)=CC=C1 3824 [1,1,0,0,0,0|2,0,0]=4 821 B8R1.4 OC1=CC(Br)=CN=C1 9214 [1,1,0,0,0,0|1,0,0]=3 822 B8R1.4 OC1=CC(Br)=NC=C1 23393 [1,1,0,0,0,0|2,0,0]=4 823 B8R1.4 OC1=CC(Cl)=CC=C1 3677 [1,1,0,0,0,0|2,0,0]=4 824 B8R1.4 OC1=CC(Cl)=CN=C1 6628 [1,1,0,0,0,0|1,0,0]=3 825 B8R1.4 OC1=CC(Cl)=NC=C1 2578 [1,1,0,0,0,0|2,0,0]=4 826 B8R1.4 OC1=CC(F)=CC=C1 3884 [1,1,0,0,0,0|2,0,0]=4 827 B8R1.4 OC1=CC(I)=CC=C1 3968 [1,1,0,0,0,0|2,0,0]=4 828 B8R1.4 OC1=CC(I)=CN=C1 27396 [1,1,0,0,0,0|1,0,0]=3 829 B8R1.4 OC1=CC(O)=NC=C1 5487 [1,1,0,0,0,0|1,0,0]=3 830 B8R1.4 OC1=CC(O)=NC=N1 7102 [1,1,0,0,0,0|2,0,0]=4 831 B8R1.4 OC1=CC=CC(Br)=N1 15211 [1,1,0,0,0,0|1,0,0]=3 832 B8R1.4 OC1=CC=CC(Cl)=N1 12988 [1,1,0,0,0,0|1,0,0]=3 833 B8R1.4 OC1=CC=CC(O)=C1 22214 [1,1,0,0,0,0|2,0,0]=4 834 B8R1.4 OC1=CC=CC(O)=N1 17666 [1,1,0,0,0,0|1,0,0]=3 835 B8R1.4 OC1=CC=CC(S)=C1 6829 [1,1,0,0,0,0|2,0,0]=4 836 B8R1.4 OC1=CN=CC(F)=C1 6625 [1,1,0,0,0,0|1,0,0]=3 837 B8R1.4 OC1=CN=CC(O)=C1 27828 [1,1,0,0,0,0|1,0,0]=3 838 B8R1.4 OC1=NC(Cl)=CN=C1 22112 [1,1,0,0,0,0|0,0,0]=2 839 B8R1.4 OC1=NC(Cl)=NC=C1 19316 [1,1,0,0,0,0|2,0,0]=4 840 B8R1.4 OC1=NC=CC(Br)=C1 6560 [1,1,0,0,0,0|1,0,0]=3 841 B8R1.4 OC1=NC=CC(Cl)=C1 9621 [1,1,0,0,0,0|1,0,0]=3 842 B8R1.4 OC1=NC=CC(I)=C1 27672 [1,1,0,0,0,0|1,0,0]=3 843 B8R1.4 OC1=NC=NC(Cl)=C1 7030 [1,1,0,0,0,0|2,0,0]=4 844 B8R1.4 [O-][N+]1=CN=CC(O)=C1 25054 [1,1,0,0,0,0|2,0,0]=4 845 B8R1.5 BrC1=C(Br)C=NC=C1 6611 [1,1,0,0,0,0|2,0,0]=4 846 B8R1.5 BrC1=C(I)C=CN=C1 35720 [1,1,0,0,0,0|2,0,0]=4 847 B8R1.5 BrC1=CC=CN=C1Br 5402 [1,1,0,0,0,0|2,0,0]=4 848 B8R1.5 BrC1=CC=CN=C1I 11018 [1,1,0,0,0,0|2,0,0]=4 849 B8R1.5 BrC1=NC=CC=C1I 13529 [1,1,0,0,0,0|2,0,0]=4 850 B8R1.5 CC1=C(Br)C=CC=C1 3834 [1,1,0,0,0,0|2,0,0]=4 851 B8R1.5 CC1=C(Br)C=CN=C1 10604 [1,1,0,0,0,0|1,0,0]=3 852 B8R1.5 CC1=C(Br)C=CN=C1 6889 [1,1,0,0,0,0|1,0,0]=3 853 B8R1.5 CC1=C(Br)C=NC=C1 3994 [1,1,0,0,0,0|2,0,0]=4 854 B8R1.5 CC1=C(Cl)C=CC=C1 19748 [1,1,0,0,0,0|2,0,0]=4 855 B8R1.5 CC1=C(Cl)C=CN=C1 17464 [1,1,0,0,0,0|1,0,0]=3 856 B8R1.5 CC1=C(Cl)C=CN=C1 9218 [1,1,0,0,0,0|1,0,0]=3 857 B8R1.5 CC1=C(Cl)C=NC=C1 14323 [1,1,0,0,0,0|2,0,0]=4 858 B8R1.5 CC1=C(Cl)N=NC=C1 11015 [1,1,0,0,0,0|2,0,0]=4 859 B8R1.5 CC1=C(F)C=CN=C1 15249 [1,1,0,0,0,0|1,0,0]=3 860 B8R1.5 CC1=C(F)C=NC=C1 9251 [1,1,0,0,0,0|2,0,0]=4 861 B8R1.5 CC1=C(I)C=CC=C1 9516 [1,1,0,0,0,0|2,0,0]=4 862 B8R1.5 CC1=C(N)C=CN=C1 1119 [1,1,0,0,0,0|1,0,0]=3 863 B8R1.5 CC1=C(N)C=NC=C1 1278 [1,1,0,0,0,0|2,0,0]=4 864 B8R1.5 CC1=C(O)C=NC=C1 15184 [1,1,0,0,0,0|1,0,0]=3 865 B8R1.5 CC1=C(O)N=NC=C1 19780 [1,1,0,0,0,0|2,0,0]=4 866 B8R1.5 CC1=C(S)C=CC=C1 6806 [1,1,0,0,0,0|2,0,0]=4 867 B8R1.5 CC1=CC=CC=C1N 20202 [1,1,0,0,0,0|2,0,0]=4 868 B8R1.5 CC1=CC=CC=C1O 15714 [1,1,0,0,0,0|2,0,0]=4 869 B8R1.5 CC1=CC=CN=C1Br 9208 [1,1,0,0,0,0|1,0,0]=3 870 B8R1.5 CC1=CC=CN=C1C 20520 [1,1,0,0,0,0|1,0,0]=3 871 B8R1.5 CC1=CC=CN=C1Cl 2074 [1,1,0,0,0,0|1,0,0]=3 872 B8R1.5 CC1=CC=CN=C1F 3992 [1,1,0,0,0,0|1,0,0]=3 873 B8R1.5 CC1=CC=CN=C1I 14399 [1,1,0,0,0,0|1,0,0]=3 874 B8R1.5 CC1=CC=CN=C1N 1217 [1,1,0,0,0,0|1,0,0]=3 875 B8R1.5 CC1=CC=CN=C1O 14401 [1,1,0,0,0,0|1,0,0]=3 876 B8R1.5 CC1=CC=CN=C1O 8871 [1,1,0,0,0,0|1,0,0]=3 877 B8R1.5 CC1=CN=CN=C1Cl 21457 [1,1,0,0,0,0|2,0,0]=4 878 B8R1.5 CC1=NC=CC=C1Br 1220 [1,1,0,0,0,0|1,0,0]=3 879 B8R1.5 CC1=NC=CC=C1Cl 14380 [1,1,0,0,0,0|1,0,0]=3 880 B8R1.5 CC1=NC=CC=C1F 14381 [1,1,0,0,0,0|1,0,0]=3 881 B8R1.5 CC1=NC=CC=C1I 14400 [1,1,0,0,0,0|1,0,0]=3 882 B8R1.5 CC1=NC=CC=C1N 2076 [1,1,0,0,0,0|1,0,0]=3 883 B8R1.5 CC1=NC=CC=C1O 6626 [1,1,0,0,0,0|1,0,0]=3 884 B8R1.5 CC1=NC=CN=C1Br 18035 [1,1,0,0,0,0|0,0,0]=2 885 B8R1.5 CC1=NC=CN=C1C 8607 [1,1,0,0,0,0|0,0,0]=2 886 B8R1.5 CC1=NC=CN=C1Cl 2149 [1,1,0,0,0,0|0,0,0]=2 887 B8R1.5 CC1=NC=CN=C1N 19617 [1,1,0,0,0,0|0,0,0]=2 888 B8R1.5 CC1=NC=CN=C1O 34244 [1,1,0,0,0,0|0,0,0]=2 889 B8R1.5 CC1=NC=NC=C1Br 17240 [1,1,0,0,0,0|2,0,0]=4 890 B8R1.5 CC1=NC=NC=C1Cl 16949 [1,1,0,0,0,0|2,0,0]=4 891 B8R1.5 CC1=NC=NC=C1N 19924 [1,1,0,0,0,0|2,0,0]=4 892 B8R1.5 CC1=[N+]([O-])C=CC=C1 14342 [1,1,0,0,0,0|1,0,1]=4 893 B8R1.5 ClC1=C(Br)C=CN=C1 1288 [1,1,0,0,0,0|2,0,0]=4 894 B8R1.5 ClC1=C(Br)C=NC=C1 1287 [1,1,0,0,0,0|2,0,0]=4 895 B8R1.5 ClC1=C(Br)C=NC=C1 27014 [1,1,0,0,0,0|2,0,0]=4 896 B8R1.5 ClC1=C(Cl)C=NC=C1 6613 [1,1,0,0,0,0|2,0,0]=4 897 B8R1.5 ClC1=C(Cl)C=NC=C1 9823 [1,1,0,0,0,0|2,0,0]=4 898 B8R1.5 ClC1=C(I)C=CN=C1 9822 [1,1,0,0,0,0|2,0,0]=4 899 B8R1.5 ClC1=C(I)C=NC=C1 8083 [1,1,0,0,0,0|2,0,0]=4 900 B8R1.5 ClC1=CC=CN=C1Br 5776 [1,1,0,0,0,0|2,0,0]=4 901 B8R1.5 ClC1=CC=CN=C1Cl 1198 [1,1,0,0,0,0|2,0,0]=4 902 B8R1.5 ClC1=NC=CC=C1Br 1098 [1,1,0,0,0,0|2,0,0]=4 903 B8R1.5 ClC1=NC=CC=C1I 1188 [1,1,0,0,0,0|2,0,0]=4 904 B8R1.5 ClC1=NC=CN=C1Cl 8547 [1,1,0,0,0,0|1,0,0]=3 905 B8R1.5 FC1=C(Br)C=CN=C1 18130 [1,1,0,0,0,0|2,0,0]=4 906 B8R1.5 FC1=C(Br)C=CN=C1 6660 [1,1,0,0,0,0|2,0,0]=4 907 B8R1.5 FC1=C(Br)C=NC=C1 3009 [1,1,0,0,0,0|2,0,0]=4 908 B8R1.5 FC1=C(Cl)C=CN=C1 6667 [1,1,0,0,0,0|2,0,0]=4 909 B8R1.5 FC1=C(Cl)C=CN=C1 6668 [1,1,0,0,0,0|2,0,0]=4 910 B8R1.5 FC1=C(Cl)C=NC=C1 6675 [1,1,0,0,0,0|2,0,0]=4 911 B8R1.5 FC1=C(F)C=NC=C1 16287 [1,1,0,0,0,0|2,0,0]=4 912 B8R1.5 FC1=C(I)C=CN=C1 9249 [1,1,0,0,0,0|2,0,0]=4 913 B8R1.5 FC1=CC=CN=C1Br 3002 [1,1,0,0,0,0|2,0,0]=4 914 B8R1.5 FC1=CC=CN=C1Cl 2532 [1,1,0,0,0,0|2,0,0]=4 915 B8R1.5 FC1=CC=CN=C1F 5414 [1,1,0,0,0,0|2,0,0]=4 916 B8R1.5 FC1=CC=CN=C1I 6569 [1,1,0,0,0,0|2,0,0]=4 917 B8R1.5 FC1=NC=CC=C1Br 3008 [1,1,0,0,0,0|2,0,0]=4 918 B8R1.5 FC1=NC=CC=C1Cl 6263 [1,1,0,0,0,0|2,0,0]=4 919 B8R1.5 FC1=NC=CC=C1I 1231 [1,1,0,0,0,0|2,0,0]=4 920 B8R1.5 IC1=CC=CN=C1I 9245 [1,1,0,0,0,0|2,0,0]=4 921 B8R1.5 NC1=C(Br)C=CN=C1 6658 [1,1,0,0,0,0|2,0,0]=4 922 B8R1.5 NC1=C(Br)C=NC=C1 1242 [1,1,0,0,0,0|2,0,0]=4 923 B8R1.5 NC1=C(Cl)C=CN=C1 6665 [1,1,0,0,0,0|2,0,0]=4 924 B8R1.5 NC1=C(Cl)C=NC=C1 6653 [1,1,0,0,0,0|2,0,0]=4 925 B8R1.5 NC1=C(F)C=NC=C1 1261 [1,1,0,0,0,0|2,0,0]=4 926 B8R1.5 NC1=C(F)C=NC=C1 26667 [1,1,0,0,0,0|2,0,0]=4 927 B8R1.5 NC1=C(I)C=CN=C1 6681 [1,1,0,0,0,0|2,0,0]=4 928 B8R1.5 NC1=C(I)C=NC=C1 6632 [1,1,0,0,0,0|2,0,0]=4 929 B8R1.5 NC1=C(N)C=NC=C1 1295 [1,1,0,0,0,0|2,0,0]=4 930 B8R1.5 NC1=C(O)C=CN=C1 6679 [1,1,0,0,0,0|2,0,0]=4 931 B8R1.5 NC1=C(O)C=NC=C1 6654 [1,1,0,0,0,0|1,0,0]=3 932 B8R1.5 NC1=CC=CN=C1Br 5766 [1,1,0,0,0,0|2,0,0]=4 933 B8R1.5 NC1=CC=CN=C1Cl 1096 [1,1,0,0,0,0|2,0,0]=4 934 B8R1.5 NC1=CC=CN=C1F 1259 [1,1,0,0,0,0|2,0,0]=4 935 B8R1.5 NC1=CC=CN=C1I 9292 [1,1,0,0,0,0|2,0,0]=4 936 B8R1.5 NC1=CC=CN=C1N 1296 [1,1,0,0,0,0|2,0,0]=4 937 B8R1.5 NC1=CC=CN=C1N 5394 [1,1,0,0,0,0|2,0,0]=4 938 B8R1.5 NC1=CC=CN=C1O 1263 [1,1,0,0,0,0|1,0,0]=3 939 B8R1.5 NC1=NC=CC=C1Br 1241 [1,1,0,0,0,0|2,0,0]=4 940 B8R1.5 NC1=NC=CC=C1Cl 5562 [1,1,0,0,0,0|2,0,0]=4 941 B8R1.5 NC1=NC=CC=C1F 2976 [1,1,0,0,0,0|2,0,0]=4 942 B8R1.5 NC1=NC=CC=C1I 1265 [1,1,0,0,0,0|2,0,0]=4 943 B8R1.5 NC1=NC=CC=C1O 2574 [1,1,0,0,0,0|1,0,0]=3 944 B8R1.5 NC1=NC=CC=C1S 16432 [1,1,0,0,0,0|1,1,0]=4 945 B8R1.5 NC1=NC=CN=C1Br 27947 [1,1,0,0,0,0|1,0,0]=3 946 B8R1.5 NC1=NC=CN=C1Cl 16808 [1,1,0,0,0,0|1,0,0]=3 947 B8R1.5 NC1=NC=CN=C1Cl 2044 [1,1,0,0,0,0|1,0,0]=3 948 B8R1.5 NC1=NC=CN=C1N 32139 [1,1,0,0,0,0|1,0,0]=3 949 B8R1.5 NC1=NC=CN=C1O 27948 [1,1,0,0,0,0|0,0,0]=2 950 B8R1.5 O=C1C=COC=C1O 25209 [1,1,0,0,0,0|2,0,0]=4 951 B8R1.5 OC1=C(Br)C=CC=C1 3841 [1,1,0,0,0,0|2,0,0]=4 952 B8R1.5 OC1=C(Br)C=CN=C1 6661 [1,1,0,0,0,0|1,0,0]=3 953 B8R1.5 OC1=C(Br)C=NC=C1 6678 [1,1,0,0,0,0|2,0,0]=4 954 B8R1.5 OC1=C(Cl)C=CC=C1 12600 [1,1,0,0,0,0|2,0,0]=4 955 B8R1.5 OC1=C(Cl)C=CN=C1 6669 [1,1,0,0,0,0|1,0,0]=3 956 B8R1.5 OC1=C(Cl)C=NC=C1 6680 [1,1,0,0,0,0|2,0,0]=4 957 B8R1.5 OC1=C(F)C=CC=C1 2313 [1,1,0,0,0,0|2,0,0]=4 958 B8R1.5 OC1=C(I)C=CC=C1 3963 [1,1,0,0,0,0|2,0,0]=4 959 B8R1.5 OC1=C(S)C=CC=C1 6827 [1,1,0,0,0,0|2,0,0]=4 960 B8R1.5 OC1=CC=CN=C1Br 2572 [1,1,0,0,0,0|1,0,0]=3 961 B8R1.5 OC1=CC=CN=C1Cl 2577 [1,1,0,0,0,0|1,0,0]=3 962 B8R1.5 OC1=CC=CN=C1F 6290 [1,1,0,0,0,0|1,0,0]=3 963 B8R1.5 OC1=CC=CN=C1I 6571 [1,1,0,0,0,0|1,0,0]=3 964 B8R1.5 OC1=CC=CN=C1O 2580 [1,1,0,0,0,0|1,0,0]=3 965 B8R1.5 OC1=NC=CC=C1Br 1177 [1,1,0,0,0,0|1,0,0]=3 966 B8R1.5 OC1=NC=CC=C1Cl 6538 [1,1,0,0,0,0|1,0,0]=3 967 B8R1.5 OC1=NC=CC=C1F 1200 [1,1,0,0,0,0|1,0,0]=3 968 B8R1.5 OC1=NC=CC=C1I 6701 [1,1,0,0,0,0|1,0,0]=3 969 B8R1.5 OC1=NC=NC=C1Br 24352 [1,1,0,0,0,0|2,0,0]=4 970 B8R1.5 OC1=NC=NC=C1F 7191 [1,1,0,0,0,0|2,0,0]=4 971 B8R1.5 [O-][N+]1=CC=CC=C1O 26927 [1,1,0,0,0,0|1,0,1]=4 972 B8R1.1 CCC1=NC(C)=CN1 15974 [0,1,0,0,1,0|1,0,1]=4 973 B8R1.1 CCC1=NC(C)=CS1 9939 [0,1,0,0,1,0|2,0,0]=4 974 B8R1.1 COC1=CC(=O)NC1 26246 [0,1,0,0,1,0|0,0,2]=4 975 B8R1.1 COC1=CC(N)=NO1 32032 [0,1,0,0,1,0|1,0,0]=3 976 B8R1.1 COC1=CC=C(O)O1 22256 [0,1,0,0,1,0|1,0,0]=3 977 B8R1.7 CC(=O)C1=CC=CN1 20915 [0,1,0,0,1,0|1,0,1]=4 978 B8R1.7 CC(=O)C1=CC=CO1 6939 [0,1,0,0,1,0|2,0,0]=4 979 B8R1.7 CC(=O)C1=CC=CS1 5172 [0,1,0,0,1,0|2,0,0]=4 980 B8R1.7 CC(=O)C1=CNC=C1 22508 [0,1,0,0,1,0|1,0,1]=4 981 B8R1.7 CC(=O)C1=CNC=N1 12484 [0,1,0,0,1,0|1,0,1]=4 982 B8R1.7 CC(=O)C1=CNN=C1 30409 [0,1,0,0,1,0|2,0,0]=4 983 B8R1.7 CC(=O)C1=CSC=C1 5220 [0,1,0,0,1,0|2,0,0]=4 984 B8R1.7 CC(=O)C1=NC=CO1 23008 [0,1,0,0,1,0|2,0,0]=4 985 B8R1.7 CC(=O)C1=NC=CS1 9940 [0,1,0,0,1,0|2,0,0]=4 986 B8R1.7 CC(=O)N1C=CC=N1 13397 [0,1,0,0,1,0|2,0,0]=4 987 B8R1.7 CC(=O)N1C=CN=C1 25826 [0,1,0,0,1,0|2,0,0]=4 988 B8R1.7 CC(C)=C1C=CC=C1 35011 [0,1,0,0,1,0|2,0,0]=4 989 B8R1.7 CC(C)C1=NC=CN1 15977 [0,1,0,0,1,0|1,0,1]=4 990 B8R1.7 CC(C)C1=NNC=C1 11026 [0,1,0,0,1,0|2,0,0]=4 991 B8R1.8 CCCC1=NC=CN1 15976 [0,1,0,0,1,0|1,0,1]=4 992 B8R1.8 CCOC1=NC=CS1 9943 [0,1,0,0,1,0|1,0,0]=3 993 B8R1.8 CNCC1=CC=CS1 22897 [0,1,0,0,1,0|2,0,0]=4 994 B8R1.8 CNCC1=NNC=C1 14335 [0,1,0,0,1,0|2,0,0]=4 995 B8R1.8 COCN1C=CN=C1 34774 [0,1,0,0,1,0|1,0,0]=3 996 B8R1.8 ClCCC1=CNN=C1 15789 [0,1,0,0,1,0|2,0,0]=4 997 B8R1.8 ClCCC1=CNN=C1 15791 [0,1,0,0,1,0|2,0,0]=4 998 B8R1.8 NCCC1=CC=CS1 5579 [0,1,0,0,1,0|2,0,0]=4 999 B8R1.8 NCCC1=CC=CS1 8859 [0,1,0,0,1,0|2,0,0]=4 1000 B8R1.8 NCCC1=CNC=N1 9893 [0,1,0,0,1,0|1,0,1]=4 1001 B8R1.8 NCCC1=CSC=C1 14605 [0,1,0,0,1,0|2,0,0]=4 1002 B8R1.8 NCCC1=CSC=C1 24381 [0,1,0,0,1,0|2,0,0]=4 1003 B8R1.8 NCCC1=NC=CN1 24954 [0,1,0,0,1,0|1,0,1]=4 1004 B8R1.8 NCCN1C=CN=C1 12985 [0,1,0,0,1,0|2,0,0]=4 1005 B8R1.8 NCCN1C=CN=C1 8054 [0,1,0,0,1,0|2,0,0]=4 1006 B8R1.8 OCCC1=CC=CS1 5581 [0,1,0,0,1,0|2,0,0]=4 1007 B8R1.8 OCCC1=CNN=C1 7849 [0,1,0,0,1,0|2,0,0]=4 1008 B8R1.8 OCCC1=CSC=C1 20415 [0,1,0,0,1,0|2,0,0]=4 1009 B8R1.8 OCCN1C=CN=C1 7607 [0,1,0,0,1,0|2,0,0]=4 1010 B8R1.11 CSC1=NC=CN1C 31662 [0,1,0,0,1,0|0,1,1]=4 1011 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [0,2,0,0,0,0|2,0,0]=4 1012 B10R1.1 CCNC1=NC=C(Br)C=C1 22083 [0,2,0,0,0,0|2,0,0]=4 1013 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [0,2,0,0,0,0|2,0,0]=4 1014 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [0,2,0,0,0,0|2,0,0]=4 1015 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [0,2,0,0,0,0|2,0,0]=4 1016 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [0,2,0,0,0,0|2,0,0]=4 1017 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [0,2,0,0,0,0|2,0,0]=4 1018 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [0,2,0,0,0,0|2,0,0]=4 1019 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [0,2,0,0,0,0|2,0,0]=4 1020 B10R1.1 CCOC1=CN=C(Br)C=C1 5964 [0,2,0,0,0,0|1,0,0]=3 1021 B10R1.1 CCOC1=CN=C(Cl)C=C1 6218 [0,2,0,0,0,0|1,0,0]=3 1022 B10R1.1 CCOC1=NC=C(Br)C=C1 6235 [0,2,0,0,0,0|1,0,0]=3 1023 B10R1.1 CCOC1=NC=C(N)C=C1 6234 [0,2,0,0,0,0|1,0,0]=3 1024 B10R1.1 C\N=C\C1=CC=C(Cl)N=C1 17586 [0,2,0,0,0,0|2,0,0]=4 1025 B10R1.3 C=CC1=NC=C(CC)C=C1 19454 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [0,2,0,0,0,0|2,0,0]=4 1028 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [0,2,0,0,0,0|2,0,0]=4 1029 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [0,2,0,0,0,0|2,0,0]=4 1030 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [0,2,0,0,0,0|1,0,0]=3 1031 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.3 COC1=CC=C(CN)C=C1 4428 [0,2,0,0,0,0|2,0,0]=4 1034 B10R1.3 COC1=CC=C(CN)C=N1 33703 [0,2,0,0,0,0|1,0,0]=3 1035 B10R1.3 COC1=CC=C(CO)C=C1 19100 [0,2,0,0,0,0|2,0,0]=4 1036 B10R1.3 COC1=CC=C(CS)C=C1 6839 [0,2,0,0,0,0|2,0,0]=4 1037 B10R1.3 COC1=CC=C(NN)C=C1 4498 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.3 COC1=CC=C(SC)C=C1 10655 [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [0,2,0,0,0,0|1,0,0]=3 1040 B10R1.3 COC1=CN=C(CO)C=C1 34570 [0,2,0,0,0,0|1,0,0]=3 1041 B10R1.3 COC1=NC=C(C#N)C=C1 15154 [0,2,0,0,0,0|1,0,0]=3 1042 B10R1.3 COC1=NC=C(C=O)C=N1 5296 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [0,2,0,0,0,0|2,0,0]=4 1044 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [0,2,0,0,0,0|2,0,0]=4 1045 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [0,2,0,0,0,0|2,0,0]=4 1046 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [0,2,0,0,0,0|2,0,0]=4 1047 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [0,2,0,0,0,0|2,0,0]=4 1048 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [0,2,0,0,0,0|2,0,0]=4 1049 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [0,2,0,0,0,0|2,0,0]=4 1050 B10R1.13 CC(C)C1=CC=C(N)C=N1 19458 [0,2,0,0,0,0|2,0,0]=4 1051 B10R1.13 CC1=CN=C(C(=O)O)C=N1 8550 [0,2,0,0,0,0|2,0,0]=4 1052 B10R1.13 CN(C)C1=CC=C(Br)N=C1 33778 [0,2,0,0,0,0|2,0,0]=4 1053 B10R1.13 CN(C)C1=NC=C(Br)C=C1 5051 [0,2,0,0,0,0|2,0,0]=4 1054 B10R1.13 CN(C)C1=NC=C(N)C=C1 15373 [0,2,0,0,0,0|2,0,0]=4 1055 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 32127 [0,2,0,0,0,0|2,0,0]=4 1056 B10R1.13 NC(=O)C1=NC=C(N)N=C1 32178 [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.13 NC1=CN=C(B(O)O)C=N1 23329 [0,2,0,0,0,0|2,0,0]=4 1058 B10R1.13 NC1=CN=C(C(=O)O)C=N1 7866 [0,2,0,0,0,0|2,0,0]=4 1059 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 24823 [0,2,0,0,0,0|2,0,0]=4 1060 B10R1.13 O=C(O)C1=NC=C(O)N=C1 24014 [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.25 CNC1=NC=C(Br)C=C1C 34261 [0,2,0,0,0,0|2,0,0]=4 1062 B10R1.25 COC1=C(Br)C=C(Br)C=C1 3847 [0,2,0,0,0,0|2,0,0]=4 1063 B10R1.25 COC1=C(Br)C=C(C)C=C1 3797 [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 2629 [0,2,0,0,0,0|2,0,0]=4 1065 B10R1.25 COC1=C(Br)C=C(F)C=C1 1972 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.25 COC1=C(Br)C=C(N)C=C1 16856 [0,2,0,0,0,0|2,0,0]=4 1067 B10R1.25 COC1=C(Br)C=C(O)C=C1 31091 [0,2,0,0,0,0|2,0,0]=4 1068 B10R1.25 COC1=C(Br)C=C(O)C=N1 34282 [0,2,0,0,0,0|1,0,0]=3 1069 B10R1.25 COC1=C(C)C=C(Br)C=C1 3798 [0,2,0,0,0,0|2,0,0]=4 1070 B10R1.25 COC1=C(C)C=C(C)C=C1 5359 [0,2,0,0,0,0|2,0,0]=4 1071 B10R1.25 COC1=C(C)C=C(Cl)C=C1 2665 [0,2,0,0,0,0|2,0,0]=4 1072 B10R1.25 COC1=C(C)C=C(F)C=C1 2622 [0,2,0,0,0,0|2,0,0]=4 1073 B10R1.25 COC1=C(C)C=C(N)C=C1 15790 [0,2,0,0,0,0|2,0,0]=4 1074 B10R1.25 COC1=C(C)C=C(O)C=C1 33186 [0,2,0,0,0,0|2,0,0]=4 1075 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 2630 [0,2,0,0,0,0|2,0,0]=4 1076 B10R1.25 COC1=C(Cl)C=C(C)C=C1 27687 [0,2,0,0,0,0|2,0,0]=4 1077 B10R1.25 COC1=C(Cl)C=C(F)C=C1 2658 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.25 COC1=C(Cl)C=C(N)C=C1 17270 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.25 COC1=C(Cl)C=C(O)C=C1 33443 [0,2,0,0,0,0|2,0,0]=4 1080 B10R1.25 COC1=C(Cl)N=C(N)C=C1 22126 [0,2,0,0,0,0|1,0,0]=3 1081 B10R1.25 COC1=C(F)C=C(Br)C=C1 1971 [0,2,0,0,0,0|2,0,0]=4 1082 B10R1.25 COC1=C(F)C=C(C)C=C1 24850 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.25 COC1=C(F)C=C(Cl)C=C1 2662 [0,2,0,0,0,0|2,0,0]=4 1084 B10R1.25 COC1=C(F)C=C(F)C=C1 3455 [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.25 COC1=C(F)C=C(N)C=C1 2125 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.25 COC1=C(F)C=C(O)C=C1 2369 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.25 COC1=C(F)C=C(S)C=C1 6875 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.25 COC1=C(I)C=C(Cl)C=C1 14310 [0,2,0,0,0,0|2,0,0]=4 1089 B10R1.25 COC1=C(I)C=C(N)C=C1 3307 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.25 COC1=C(I)C=C(N)C=C1 3310 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.25 COC1=C(N)C=C(F)C=C1 2256 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.25 COC1=C(N)C=C(I)C=C1 28345 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.25 COC1=C(N)C=C(N)C=C1 1905 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.25 COC1=C(N)C=C(N)C=C1 24784 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.25 COC1=C(N)C=C(N)C=C1 4107 [0,2,0,0,0,0|2,0,0]=4 1096 B10R1.25 COC1=C(O)C=C(Br)C=C1 26431 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.25 COC1=C(O)C=C(C)C=C1 31088 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.25 COC1=C(O)C=C(F)C=C1 3882 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.25 COC1=C(O)C=C(N)C=C1 3112 [0,2,0,0,0,0|2,0,0]=4 1100 B10R1.25 COC1=CC=C(N)N=C1C 6638 [0,2,0,0,0,0|1,0,0]=3 1101 B10R1.25 COC1=CN=C(Cl)N=C1Cl 7076 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.25 COC1=CN=C(O)N=C1O 7099 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.25 COC1=NC=C(Br)C=C1Br 6581 [0,2,0,0,0,0|1,0,0]=3 1104 B10R1.25 COC1=NC=C(Br)C=C1C 22058 [0,2,0,0,0,0|1,0,0]=3 1105 B10R1.25 COC1=NC=C(Br)C=C1Cl 1164 [0,2,0,0,0,0|1,0,0]=3 1106 B10R1.25 COC1=NC=C(Br)C=C1F 10468 [0,2,0,0,0,0|1,0,0]=3 1107 B10R1.25 COC1=NC=C(Br)C=C1I 8079 [0,2,0,0,0,0|1,0,0]=3 1108 B10R1.25 COC1=NC=C(Br)C=C1N 17164 [0,2,0,0,0,0|1,0,0]=3 1109 B10R1.25 COC1=NC=C(C)C=C1I 26966 [0,2,0,0,0,0|1,0,0]=3 1110 B10R1.25 COC1=NC=C(Cl)C=C1Br 6584 [0,2,0,0,0,0|1,0,0]=3 1111 B10R1.25 COC1=NC=C(Cl)C=C1O 26938 [0,2,0,0,0,0|1,0,0]=3 1112 B10R1.25 COC1=NC=C(F)C=C1Br 1175 [0,2,0,0,0,0|1,0,0]=3 1113 B10R1.25 COC1=NC=C(F)C=C1C 6603 [0,2,0,0,0,0|1,0,0]=3 1114 B10R1.25 COC1=NC=C(F)C=C1O 15267 [0,2,0,0,0,0|1,0,0]=3 1115 B10R1.25 COC1=NC=C(N)C=C1Br 1147 [0,2,0,0,0,0|1,0,0]=3 1116 B10R1.25 COC1=NC=C(N)C=C1C 1268 [0,2,0,0,0,0|1,0,0]=3 1117 B10R1.25 COc1ccc(Cl)cc1O 31127 [0,2,0,0,0,0|2,0,0]=4 1118 B10R1.25 N#CC1=NC=C(Cl)N=C1Cl 32159 [0,2,0,0,0,0|2,0,0]=4 1119 B10R1.176 CCC1=CN=C(C)C(C)=N1 8618 [0,2,0,0,0,0|1,0,0]=3 1120 B10R1.176 COC1=CC(Br)=C(Br)C=C1 4110 [0,2,0,0,0,0|2,0,0]=4 1121 B10R1.176 COC1=CC(Br)=C(C)C=C1 24319 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 4555 [0,2,0,0,0,0|2,0,0]=4 1123 B10R1.176 COC1=CC(Br)=C(F)C=C1 28354 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.176 COC1=CC(Br)=C(N)C=C1 31003 [0,2,0,0,0,0|2,0,0]=4 1125 B10R1.176 COC1=CC(Br)=C(N)C=C1 4332 [0,2,0,0,0,0|2,0,0]=4 1126 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.176 COC1=CC(C)=C(Br)C=C1 3796 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [0,2,0,0,0,0|2,0,0]=4 1129 B10R1.176 COC1=CC(C)=C(Cl)C=C1 2666 [0,2,0,0,0,0|2,0,0]=4 1130 B10R1.176 COC1=CC(C)=C(F)C=C1 2623 [0,2,0,0,0,0|2,0,0]=4 1131 B10R1.176 COC1=CC(C)=C(N)C=C1 28347 [0,2,0,0,0,0|2,0,0]=4 1132 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [0,2,0,0,0,0|2,0,0]=4 1133 B10R1.176 COC1=CC(C)=C(S)C=C1 6886 [0,2,0,0,0,0|2,0,0]=4 1134 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 2631 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.176 COC1=CC(Cl)=C(C)C=C1 4101 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 3683 [0,2,0,0,0,0|2,0,0]=4 1137 B10R1.176 COC1=CC(Cl)=C(F)C=C1 2660 [0,2,0,0,0,0|2,0,0]=4 1138 B10R1.176 COC1=CC(Cl)=C(I)C=C1 27614 [0,2,0,0,0,0|2,0,0]=4 1139 B10R1.176 COC1=CC(Cl)=C(N)C=C1 27577 [0,2,0,0,0,0|2,0,0]=4 1140 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [0,2,0,0,0,0|2,0,0]=4 1141 B10R1.176 COC1=CC(F)=C(Br)C=C1 1970 [0,2,0,0,0,0|2,0,0]=4 1142 B10R1.176 COC1=CC(F)=C(Br)C=C1 20025 [0,2,0,0,0,0|2,0,0]=4 1143 B10R1.176 COC1=CC(F)=C(C)C=C1 2621 [0,2,0,0,0,0|2,0,0]=4 1144 B10R1.176 COC1=CC(F)=C(Cl)C=C1 2663 [0,2,0,0,0,0|2,0,0]=4 1145 B10R1.176 COC1=CC(F)=C(F)C=C1 3457 [0,2,0,0,0,0|2,0,0]=4 1146 B10R1.176 COC1=CC(F)=C(N)C=C1 15755 [0,2,0,0,0,0|2,0,0]=4 1147 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [0,2,0,0,0,0|2,0,0]=4 1148 B10R1.176 COC1=CC(I)=C(Br)C=C1 5347 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.176 COC1=CC(I)=C(Cl)C=C1 5291 [0,2,0,0,0,0|2,0,0]=4 1150 B10R1.176 COC1=CC(I)=C(N)C=C1 10738 [0,2,0,0,0,0|2,0,0]=4 1151 B10R1.176 COC1=CC(N)=C(Br)C=C1 5335 [0,2,0,0,0,0|2,0,0]=4 1152 B10R1.176 COC1=CC(N)=C(Br)C=C1 5367 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.176 COC1=CC(N)=C(C)C=C1 19827 [0,2,0,0,0,0|2,0,0]=4 1154 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3658 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3660 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.176 COC1=CC(N)=C(F)C=C1 15806 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.176 COC1=CC(N)=C(I)C=C1 31005 [0,2,0,0,0,0|2,0,0]=4 1158 B10R1.176 COC1=CC(N)=C(N)C=C1 28370 [0,2,0,0,0,0|2,0,0]=4 1159 B10R1.176 COC1=CC(N)=C(N)C=C1 28371 [0,2,0,0,0,0|2,0,0]=4 1160 B10R1.176 COC1=CC(O)=C(Br)C=C1 13262 [0,2,0,0,0,0|2,0,0]=4 1161 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [0,2,0,0,0,0|2,0,0]=4 1162 B10R1.176 COC1=CC(O)=C(Cl)C=C1 10217 [0,2,0,0,0,0|2,0,0]=4 1163 B10R1.176 COC1=CC(O)=C(F)C=C1 33440 [0,2,0,0,0,0|2,0,0]=4 1164 B10R1.176 COC1=CC(S)=C(N)C=C1 21901 [0,2,0,0,0,0|2,0,0]=4 1165 B10R1.176 COC1=CC=C(Cl)C(Br)=N1 34861 [0,2,0,0,0,0|1,0,0]=3 1166 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 27271 [0,2,0,0,0,0|1,0,0]=3 1167 B10R1.176 COC1=CC=C(Cl)C(N)=N1 34185 [0,2,0,0,0,0|1,0,0]=3 1168 B10R1.176 COC1=CC=C(N)C(Br)=N1 1233 [0,2,0,0,0,0|1,0,0]=3 1169 B10R1.176 COC1=CC=C(N)C(C)=N1 1267 [0,2,0,0,0,0|1,0,0]=3 1170 B10R1.176 COC1=CC=C(N)C(C)=N1 16794 [0,2,0,0,0,0|1,0,0]=3 1171 B10R1.176 COC1=CC=C(N)C(N)=N1 20870 [0,2,0,0,0,0|1,0,0]=3 1172 B10R1.176 COC1=CC=C(N)C(N)=N1 5392 [0,2,0,0,0,0|1,0,0]=3 1173 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [0,2,0,0,0,0|2,0,0]=4 1174 B10R1.176 COC1=CN=C(Cl)C(N)=C1 26205 [0,2,0,0,0,0|1,0,0]=3 1175 B10R1.176 COC1=NC(C)=C(Br)C=C1 29228 [0,2,0,0,0,0|1,0,0]=3 1176 B10R1.176 COC1=NC(C)=C(Br)C=C1 6601 [0,2,0,0,0,0|1,0,0]=3 1177 B10R1.176 COC1=NC(C)=C(F)C=C1 6605 [0,2,0,0,0,0|1,0,0]=3 1178 B10R1.176 COC1=NC(C)=C(N)C=C1 1133 [0,2,0,0,0,0|1,0,0]=3 1179 B10R1.176 COC1=NC=C(Br)C(C)=C1 6600 [0,2,0,0,0,0|1,0,0]=3 1180 B10R1.176 COC1=NC=C(Br)C(C)=N1 27835 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.176 COC1=NC=C(Cl)C(Br)=C1 34352 [0,2,0,0,0,0|1,0,0]=3 1182 B10R1.176 COC1=NC=C(F)C(=O)N1 21484 [0,2,0,0,0,0|2,0,0]=4 1183 B10R1.176 COC1=NC=C(F)C(Br)=C1 17047 [0,2,0,0,0,0|1,0,0]=3 1184 B10R1.176 COC1=NC=C(F)C(C)=C1 6604 [0,2,0,0,0,0|1,0,0]=3 1185 B10R1.176 COC1=NC=C(F)C(I)=C1 15251 [0,2,0,0,0,0|1,0,0]=3 1186 B10R1.176 COC1=NC=C(F)C(N)=C1 34238 [0,2,0,0,0,0|1,0,0]=3 1187 B10R1.176 COC1=NC=C(N)C(C)=C1 6599 [0,2,0,0,0,0|1,0,0]=3 1188 B10R1.176 COc1ccc(Br)c(N)c1 26521 [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.2 COC1=C(Br)C(Br)=CC=C1 31145 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.2 COC1=C(Br)C(C)=CC=C1 31146 [0,2,0,0,0,0|2,0,0]=4 1191 B10R1.2 COC1=C(Br)C(F)=CC=C1 4125 [0,2,0,0,0,0|2,0,0]=4 1192 B10R1.2 COC1=C(C)C(Br)=CC=C1 31165 [0,2,0,0,0,0|2,0,0]=4 1193 B10R1.2 COC1=C(C)C(C)=CC=C1 4114 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.2 COC1=C(C)C(Cl)=CC=C1 2664 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.2 COC1=C(Cl)C(Br)=CC=C1 31152 [0,2,0,0,0,0|2,0,0]=4 1196 B10R1.2 COC1=C(Cl)C(Cl)=CC=C1 3680 [0,2,0,0,0,0|2,0,0]=4 1197 B10R1.2 COC1=C(Cl)C(F)=CC=C1 31158 [0,2,0,0,0,0|2,0,0]=4 1198 B10R1.2 COC1=C(F)C(Br)=CC=C1 4127 [0,2,0,0,0,0|2,0,0]=4 1199 B10R1.2 COC1=C(F)C(Cl)=CC=C1 31153 [0,2,0,0,0,0|2,0,0]=4 1200 B10R1.2 COC1=C(F)C(Cl)=CC=C1 8445 [0,2,0,0,0,0|2,0,0]=4 1201 B10R1.2 COC1=C(I)C(F)=CC=C1 4119 [0,2,0,0,0,0|2,0,0]=4 1202 B10R1.2 COC1=C(I)C(N)=CC=C1 28346 [0,2,0,0,0,0|2,0,0]=4 1203 B10R1.2 COC1=C(N)C(Cl)=NC=N1 29067 [0,2,0,0,0,0|2,0,0]=4 1204 B10R1.2 COC1=CC=CC(Br)=C1N 31031 [0,2,0,0,0,0|2,0,0]=4 1205 B10R1.2 COC1=CC=CC(Br)=C1O 33838 [0,2,0,0,0,0|2,0,0]=4 1206 B10R1.2 COC1=CC=CC(Cl)=C1N 31032 [0,2,0,0,0,0|2,0,0]=4 1207 B10R1.2 COC1=CC=CC(Cl)=C1O 28111 [0,2,0,0,0,0|2,0,0]=4 1208 B10R1.2 COC1=CC=CC(F)=C1F 1969 [0,2,0,0,0,0|2,0,0]=4 1209 B10R1.2 COC1=CC=CC(F)=C1N 8485 [0,2,0,0,0,0|2,0,0]=4 1210 B10R1.2 COC1=CC=CC(F)=C1O 3878 [0,2,0,0,0,0|2,0,0]=4 1211 B10R1.2 COC1=CC=CC(I)=C1Br 27634 [0,2,0,0,0,0|2,0,0]=4 1212 B10R1.2 COC1=CC=CC(I)=C1C 33420 [0,2,0,0,0,0|2,0,0]=4 1213 B10R1.2 COC1=CC=CC(N)=C1Br 15644 [0,2,0,0,0,0|2,0,0]=4 1214 B10R1.2 COC1=CC=CC(N)=C1C 15040 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.2 COC1=CC=CC(N)=C1C 19248 [0,2,0,0,0,0|2,0,0]=4 1216 B10R1.2 COC1=CC=CC(N)=C1Cl 19249 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.2 COC1=CC=CC(N)=C1Cl 19250 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.2 COC1=CC=CC(N)=C1F 15807 [0,2,0,0,0,0|2,0,0]=4 1219 B10R1.2 COC1=CC=CC(N)=C1O 33268 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.2 COC1=CC=CC(O)=C1Br 34186 [0,2,0,0,0,0|2,0,0]=4 1221 B10R1.2 COC1=CC=CC(O)=C1Cl 33442 [0,2,0,0,0,0|2,0,0]=4 1222 B10R1.2 COC1=CC=CC(O)=C1F 27943 [0,2,0,0,0,0|2,0,0]=4 1223 B10R1.2 COC1=NC=CC(C)=C1Br 6583 [0,2,0,0,0,0|1,0,0]=3 1224 B10R1.2 COC1=NC=CC(C)=C1N 6582 [0,2,0,0,0,0|1,0,0]=3 1225 B10R1.2 COc1ccc[n+]([O-])c1Br 5949 [0,2,0,0,0,0|1,0,1]=4 1226 B10R1.8 COC1=CC(Br)=CC(Br)=C1 2009 [0,2,0,0,0,0|2,0,0]=4 1227 B10R1.8 COC1=CC(Br)=CC(Cl)=C1 22130 [0,2,0,0,0,0|2,0,0]=4 1228 B10R1.8 COC1=CC(Br)=CC(F)=C1 31138 [0,2,0,0,0,0|2,0,0]=4 1229 B10R1.8 COC1=CC(Br)=CC(F)=C1 4128 [0,2,0,0,0,0|2,0,0]=4 1230 B10R1.8 COC1=CC(C)=CC(Br)=C1 16436 [0,2,0,0,0,0|2,0,0]=4 1231 B10R1.8 COC1=CC(C)=CC(C)=C1 28380 [0,2,0,0,0,0|2,0,0]=4 1232 B10R1.8 COC1=CC(C)=CC(Cl)=C1 34222 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.8 COC1=CC(C)=CC(N)=C1 31028 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.8 COC1=CC(C)=NC(N)=N1 21464 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.8 COC1=CC(Cl)=CC(Cl)=C1 3684 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.8 COC1=CC(Cl)=CC(Cl)=N1 32328 [0,2,0,0,0,0|1,0,0]=3 1237 B10R1.8 COC1=CC(Cl)=CC(F)=C1 2661 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.8 COC1=CC(Cl)=NC(C)=N1 29065 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.8 COC1=CC(Cl)=NC(N)=N1 6974 [0,2,0,0,0,0|2,0,0]=4 1240 B10R1.8 COC1=CC(F)=CC(F)=C1 1967 [0,2,0,0,0,0|2,0,0]=4 1241 B10R1.8 COC1=CC(I)=CC(F)=N1 32977 [0,2,0,0,0,0|1,0,0]=3 1242 B10R1.8 COC1=CC(N)=CC(Br)=C1 31040 [0,2,0,0,0,0|2,0,0]=4 1243 B10R1.8 COC1=CC(N)=CC(Cl)=C1 31015 [0,2,0,0,0,0|2,0,0]=4 1244 B10R1.8 COC1=CC(N)=CC(F)=C1 31082 [0,2,0,0,0,0|2,0,0]=4 1245 B10R1.8 COC1=CC(O)=CC(Br)=C1 23048 [0,2,0,0,0,0|2,0,0]=4 1246 B10R1.8 COC1=CC(O)=CC(Cl)=C1 16948 [0,2,0,0,0,0|2,0,0]=4 1247 B10R1.8 COC1=CC(O)=CC(F)=C1 31095 [0,2,0,0,0,0|2,0,0]=4 1248 B10R1.8 COC1=CC(O)=NC(O)=N1 30328 [0,2,0,0,0,0|2,0,0]=4 1249 B10R1.8 COC1=NC(C)=CC(C)=N1 21469 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.8 COC1=NC(Cl)=CC(Cl)=N1 13804 [0,2,0,0,0,0|2,0,0]=4 1251 B10R1.8 COC1=NC(Cl)=NC(C)=C1 33773 [0,2,0,0,0,0|2,0,0]=4 1252 B10R1.8 COC1=NC(N)=NC(F)=C1 6992 [0,2,0,0,0,0|2,0,0]=4 1253 B10R1.8 COC1=NC(N)=NC(N)=C1 21482 [0,2,0,0,0,0|2,0,0]=4 1254 B10R1.8 COC1=NC(O)=CC(O)=N1 30330 [0,2,0,0,0,0|2,0,0]=4 1255 B10R1.10 CC#CC1=CN=CC(Br)=C1 19584 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [0,2,0,0,0,0|2,0,0]=4 1257 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.10 CCOC1=CC(Br)=CN=C1 14409 [0,2,0,0,0,0|1,0,0]=3 1259 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [0,2,0,0,0,0|2,0,0]=4 1260 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.10 CCOC1=CC(N)=NC=N1 34822 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.10 CCOC1=CC=CC(Br)=N1 5971 [0,2,0,0,0,0|1,0,0]=3 1266 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.10 CCOC1=CN=CC(Cl)=C1 6619 [0,2,0,0,0,0|1,0,0]=3 1269 B10R1.10 CCOC1=NC=CC(Br)=C1 22048 [0,2,0,0,0,0|1,0,0]=3 1270 B10R1.10 CCOC1=NC=CC(Cl)=C1 22039 [0,2,0,0,0,0|1,0,0]=3 1271 B10R1.10 CCOC1=NC=CC(N)=C1 6647 [0,2,0,0,0,0|1,0,0]=3 1272 B10R1.10 CCOC1=NC=NC(C)=C1 21485 [0,2,0,0,0,0|2,0,0]=4 1273 B10R1.10 COCC1=CC=CC(F)=C1 24279 [0,2,0,0,0,0|2,0,0]=4 1274 B10R1.10 COCC1=CN=CC(Br)=C1 22088 [0,2,0,0,0,0|1,0,0]=3 1275 B10R1.30 C#CC1=NC(Br)=CN=C1N 22117 [0,2,0,0,0,0|1,0,1]=4 1276 B10R1.30 CC1=CN=C(Cl)C(C#N)=N1 27401 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.30 CCC1=NC(C)=CC=C1O 35102 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.30 COC1=C(Br)C=CC(Br)=C1 5357 [0,2,0,0,0,0|2,0,0]=4 1279 B10R1.30 COC1=C(Br)C=CC(C)=C1 4136 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 5265 [0,2,0,0,0,0|2,0,0]=4 1281 B10R1.30 COC1=C(Br)C=CC(F)=C1 4091 [0,2,0,0,0,0|2,0,0]=4 1282 B10R1.30 COC1=C(Br)C=CC(I)=C1 5333 [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.30 COC1=C(Br)C=CC(N)=C1 3794 [0,2,0,0,0,0|2,0,0]=4 1284 B10R1.30 COC1=C(Br)C=CC(O)=C1 13260 [0,2,0,0,0,0|2,0,0]=4 1285 B10R1.30 COC1=C(C)C=CC(Br)=C1 25292 [0,2,0,0,0,0|2,0,0]=4 1286 B10R1.30 COC1=C(C)C=CC(C)=C1 5360 [0,2,0,0,0,0|2,0,0]=4 1287 B10R1.30 COC1=C(C)C=CC(Cl)=C1 2667 [0,2,0,0,0,0|2,0,0]=4 1288 B10R1.30 COC1=C(C)C=CC(F)=C1 2624 [0,2,0,0,0,0|2,0,0]=4 1289 B10R1.30 COC1=C(C)C=CC(N)=C1 3329 [0,2,0,0,0,0|2,0,0]=4 1290 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 2632 [0,2,0,0,0,0|2,0,0]=4 1291 B10R1.30 COC1=C(Cl)C=CC(C)=C1 5299 [0,2,0,0,0,0|2,0,0]=4 1292 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 3681 [0,2,0,0,0,0|2,0,0]=4 1293 B10R1.30 COC1=C(Cl)C=CC(F)=C1 2659 [0,2,0,0,0,0|2,0,0]=4 1294 B10R1.30 COC1=C(Cl)C=CC(I)=C1 5289 [0,2,0,0,0,0|2,0,0]=4 1295 B10R1.30 COC1=C(Cl)C=CC(N)=C1 3659 [0,2,0,0,0,0|2,0,0]=4 1296 B10R1.30 COC1=C(Cl)C=CC(O)=C1 28110 [0,2,0,0,0,0|2,0,0]=4 1297 B10R1.30 COC1=C(Cl)N=CC(N)=C1 22114 [0,2,0,0,0,0|1,0,0]=3 1298 B10R1.30 COC1=C(F)C=CC(Br)=C1 18513 [0,2,0,0,0,0|2,0,0]=4 1299 B10R1.30 COC1=C(F)C=CC(C)=C1 8487 [0,2,0,0,0,0|2,0,0]=4 1300 B10R1.30 COC1=C(F)C=CC(F)=C1 3456 [0,2,0,0,0,0|2,0,0]=4 1301 B10R1.30 COC1=C(F)C=CC(N)=C1 14566 [0,2,0,0,0,0|2,0,0]=4 1302 B10R1.30 COC1=C(F)C=CC(N)=C1 3022 [0,2,0,0,0,0|2,0,0]=4 1303 B10R1.30 COC1=C(F)C=CC(O)=C1 14358 [0,2,0,0,0,0|2,0,0]=4 1304 B10R1.30 COC1=C(I)C=CC(Br)=C1 28357 [0,2,0,0,0,0|2,0,0]=4 1305 B10R1.30 COC1=C(I)C=CC(Cl)=C1 5293 [0,2,0,0,0,0|2,0,0]=4 1306 B10R1.30 COC1=C(I)C=CC(I)=C1 28130 [0,2,0,0,0,0|2,0,0]=4 1307 B10R1.30 COC1=C(I)C=CC(N)=C1 5352 [0,2,0,0,0,0|2,0,0]=4 1308 B10R1.30 COC1=C(N)C=CC(Br)=C1 2258 [0,2,0,0,0,0|2,0,0]=4 1309 B10R1.30 COC1=C(N)C=CC(F)=C1 28343 [0,2,0,0,0,0|2,0,0]=4 1310 B10R1.30 COC1=C(N)C=CC(I)=C1 25591 [0,2,0,0,0,0|2,0,0]=4 1311 B10R1.30 COC1=C(N)C=CC(O)=C1 18733 [0,2,0,0,0,0|2,0,0]=4 1312 B10R1.30 COC1=C(N)C=CC(O)=C1 26950 [0,2,0,0,0,0|2,0,0]=4 1313 B10R1.30 COC1=C(O)C=CC(Br)=C1 17271 [0,2,0,0,0,0|2,0,0]=4 1314 B10R1.30 COC1=C(O)C=CC(Cl)=C1 3665 [0,2,0,0,0,0|2,0,0]=4 1315 B10R1.30 COC1=C(O)C=CC(F)=C1 3880 [0,2,0,0,0,0|2,0,0]=4 1316 B10R1.30 COC1=C(O)C=CC(I)=C1 17587 [0,2,0,0,0,0|2,0,0]=4 1317 B10R1.30 COC1=C(O)C=CC(N)=C1 14144 [0,2,0,0,0,0|2,0,0]=4 1318 B10R1.30 COC1=C(O)C=CC(N)=C1 33372 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.30 COC1=CC(Br)=CN=C1Cl 35568 [0,2,0,0,0,0|1,0,0]=3 1320 B10R1.30 COC1=CC(Br)=CN=C1I 26836 [0,2,0,0,0,0|1,0,0]=3 1321 B10R1.30 COC1=CC(Cl)=CN=C1Br 5915 [0,2,0,0,0,0|1,0,0]=3 1322 B10R1.30 COC1=CC(I)=CN=C1Br 28124 [0,2,0,0,0,0|1,0,0]=3 1323 B10R1.30 COC1=CC(I)=CN=C1I 28122 [0,2,0,0,0,0|1,0,0]=3 1324 B10R1.30 COC1=NC(Br)=CC=C1N 21956 [0,2,0,0,0,0|1,0,0]=3 1325 B10R1.30 COC1=NC(Br)=CN=C1Br 27766 [0,2,0,0,0,0|0,0,0]=2 1326 B10R1.30 COC1=NC(Br)=CN=C1N 23582 [0,2,0,0,0,0|0,0,0]=2 1327 B10R1.30 COC1=NC(C)=CC=C1Br 8122 [0,2,0,0,0,0|1,0,0]=3 1328 B10R1.30 COC1=NC(C)=CC=C1F 6585 [0,2,0,0,0,0|1,0,0]=3 1329 B10R1.30 COC1=NC(C)=CC=C1N 1266 [0,2,0,0,0,0|1,0,0]=3 1330 B10R1.30 COC1=NC(C)=NC=C1N 22765 [0,2,0,0,0,0|2,0,0]=4 1331 B10R1.30 N#CC1=NC(Br)=CN=C1N 22506 [0,2,0,0,0,0|2,0,0]=4 1332 B10R1.30 N#CC1=NC(Cl)=CN=C1Cl 32148 [0,2,0,0,0,0|2,0,0]=4 1333 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [0,2,0,0,0,0|2,0,0]=4 1334 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [0,2,0,0,0,0|2,0,0]=4 1335 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [0,2,0,0,0,0|2,0,0]=4 1336 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 13351 [0,2,0,0,0,0|2,0,0]=4 1337 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [0,2,0,0,0,0|2,0,0]=4 1338 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [0,2,0,0,0,0|2,0,0]=4 1339 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [0,2,0,0,0,0|2,0,0]=4 1340 B10R1.113 CC(C)C1=CC=CC(Br)=N1 28919 [0,2,0,0,0,0|2,0,0]=4 1341 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 10559 [0,2,0,0,0,0|2,0,0]=4 1342 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 33540 [0,2,0,0,0,0|2,0,0]=4 1343 B10R1.113 CC1=NC(C(=O)O)=CN=C1 29069 [0,2,0,0,0,0|2,0,0]=4 1344 B10R1.113 CN(C)C1=CC(Br)=CN=C1 22076 [0,2,0,0,0,0|2,0,0]=4 1345 B10R1.113 CN(C)C1=NC(Br)=CC=C1 20311 [0,2,0,0,0,0|2,0,0]=4 1346 B10R1.113 CN(C)C1=NC=CC(Br)=C1 27960 [0,2,0,0,0,0|2,0,0]=4 1347 B10R1.113 NC(=O)C1=NC(Cl)=CN=C1 32143 [0,2,0,0,0,0|2,0,0]=4 1348 B10R1.113 NC1=CN=CC(C(=O)O)=N1 32113 [0,2,0,0,0,0|2,0,0]=4 1349 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 27951 [0,2,0,0,0,0|2,0,0]=4 1350 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 16687 [0,2,0,0,0,0|2,0,0]=4 1351 B10R1.113 OB(O)C1=NC(Cl)=CN=C1 23528 [0,2,0,0,0,0|2,0,0]=4 1352 B10R1.172 CNC1=CC=CC(OC)=N1 15374 [0,2,0,0,0,0|1,0,0]=3 1353 B10R1.172 COC1=CC(C#N)=CN=C1 16544 [0,2,0,0,0,0|1,0,0]=3 1354 B10R1.172 COC1=CC(OC)=NC=N1 7178 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.172 COC1=CC=CC(C#N)=C1 4813 [0,2,0,0,0,0|2,0,0]=4 1356 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [0,2,0,0,0,0|2,0,0]=4 1357 B10R1.172 COC1=CC=CC(C=O)=N1 15345 [0,2,0,0,0,0|1,0,0]=3 1358 B10R1.172 COC1=CC=CC(CBr)=C1 13585 [0,2,0,0,0,0|2,0,0]=4 1359 B10R1.172 COC1=CC=CC(CCl)=C1 4653 [0,2,0,0,0,0|2,0,0]=4 1360 B10R1.172 COC1=CC=CC(CN)=C1 7401 [0,2,0,0,0,0|2,0,0]=4 1361 B10R1.172 COC1=CC=CC(CO)=C1 3095 [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.172 COC1=CC=CC(CO)=N1 16585 [0,2,0,0,0,0|1,0,0]=3 1363 B10R1.172 COC1=CC=CC(OC)=N1 29237 [0,2,0,0,0,0|1,0,0]=3 1364 B10R1.172 COC1=CC=CC(SC)=C1 10653 [0,2,0,0,0,0|2,0,0]=4 1365 B10R1.172 COC1=CN=CC(C#N)=N1 34212 [0,2,0,0,0,0|0,0,0]=2 1366 B10R1.172 COC1=CN=CC(C=O)=C1 27156 [0,2,0,0,0,0|1,0,0]=3 1367 B10R1.172 COC1=CN=CC(OC)=C1 18112 [0,2,0,0,0,0|1,0,0]=3 1368 B10R1.172 COC1=CN=CC(OC)=N1 8614 [0,2,0,0,0,0|0,0,0]=2 1369 B10R1.172 COC1=NC(OC)=NC=C1 7104 [0,2,0,0,0,0|2,0,0]=4 1370 B10R1.172 COC1=NC=CC(C=O)=C1 17088 [0,2,0,0,0,0|1,0,0]=3 1371 B10R1.172 COC1=NC=CC(CCl)=C1 24332 [0,2,0,0,0,0|1,0,0]=3 1372 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [0,2,0,0,0,0|2,0,0]=4 1373 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [0,2,0,0,0,0|1,0,0]=3 1374 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [0,2,0,0,0,0|2,0,0]=4 1375 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [0,2,0,0,0,0|1,0,0]=3 1376 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [0,2,0,0,0,0|2,0,0]=4 1377 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [0,2,0,0,0,0|0,0,0]=2 1378 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [0,2,0,0,0,0|2,0,0]=4 1379 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [0,2,0,0,0,0|2,0,0]=4 1380 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [0,2,0,0,0,0|2,0,0]=4 1381 B10R1.15 O=C(CBr)C1=NC=CN=C1 21375 [0,2,0,0,0,0|1,0,0]=3 1382 B10R1.28 CC(C)(O)C1=NC=CC=C1 34335 [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [0,2,0,0,0,0|2,0,0]=4 1384 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [0,2,0,0,0,0|2,0,0]=4 1385 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [0,2,0,0,0,0|2,0,0]=4 1386 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [0,2,0,0,0,0|2,0,0]=4 1387 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [0,2,0,0,0,0|2,0,0]=4 1389 B10R1.61 CC(=O)C1=NC=CN=C1C 8616 [0,2,0,0,0,0|1,0,0]=3 1390 B10R1.61 CC(=O)C1=NC=CN=C1N 33762 [0,2,0,0,0,0|1,0,0]=3 1391 B10R1.61 CC(C)C1=C(O)C=CN=C1 35264 [0,2,0,0,0,0|2,0,0]=4 1392 B10R1.61 CC(C)C1=CC=CN=C1Cl 6145 [0,2,0,0,0,0|2,0,0]=4 1393 B10R1.61 CC(C)C1=NC=CC=C1Br 32481 [0,2,0,0,0,0|2,0,0]=4 1394 B10R1.61 CC1=NC=CN=C1C(C)C 24268 [0,2,0,0,0,0|1,0,0]=3 1395 B10R1.61 NC(=O)C1=NC=CN=C1Cl 32162 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.61 NC(=O)C1=NC=CN=C1Cl 32162 [0,2,0,0,0,0|2,0,0]=4 1397 B10R1.61 NC(=O)C1=NC=CN=C1O 32110 [0,2,0,0,0,0|2,0,0]=4 1398 B10R1.61 NC1=NC=CN=C1C(=O)O 8544 [0,2,0,0,0,0|2,0,0]=4 1399 B10R1.61 O=C(O)C1=NC=CN=C1Br 32152 [0,2,0,0,0,0|2,0,0]=4 1400 B10R1.61 O=C(O)C1=NC=CN=C1Cl 19770 [0,2,0,0,0,0|2,0,0]=4 1401 B10R1.61 O=C(O)C1=NC=CN=C1I 32124 [0,2,0,0,0,0|2,0,0]=4 1402 B10R1.61 O=C(O)C1=NC=CN=C1O 8870 [0,2,0,0,0,0|2,0,0]=4 1403 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl 32179 [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.4 CCNC1=C(N)C=CN=C1 26071 [0,2,0,0,0,0|2,0,0]=4 1405 B10R1.4 CCNC1=NC=CC=C1N 6237 [0,2,0,0,0,0|2,0,0]=4 1406 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [0,2,0,0,0,0|2,0,0]=4 1407 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [0,2,0,0,0,0|1,0,0]=3 1408 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [0,2,0,0,0,0|2,0,0]=4 1409 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [0,2,0,0,0,0|2,0,0]=4 1410 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [0,2,0,0,0,0|1,0,0]=3 1411 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [0,2,0,0,0,0|2,0,0]=4 1412 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [0,2,0,0,0,0|1,0,0]=3 1413 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [0,2,0,0,0,0|2,0,0]=4 1414 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [0,2,0,0,0,0|2,0,0]=4 1415 B10R1.4 CCOC1=CC=CN=C1Br 5890 [0,2,0,0,0,0|1,0,0]=3 1416 B10R1.4 CCOC1=CC=CN=C1C 34423 [0,2,0,0,0,0|1,0,0]=3 1417 B10R1.4 CCOC1=CC=CN=C1N 5585 [0,2,0,0,0,0|1,0,0]=3 1418 B10R1.4 CCOC1=NC=CC=C1Br 6233 [0,2,0,0,0,0|1,0,0]=3 1419 B10R1.4 CCOC1=NC=CC=C1I 9248 [0,2,0,0,0,0|1,0,0]=3 1420 B10R1.4 CCOC1=NC=CN=C1C 9108 [0,2,0,0,0,0|0,0,0]=2 1421 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [0,2,0,0,0,0|2,0,0]=4 1422 B10R1.17 BrCCOC1=CC=CC=C1 3152 [0,2,0,0,0,0|2,0,0]=4 1423 B10R1.17 C=CCOC1=CC=CC=C1 29359 [0,2,0,0,0,0|2,0,0]=4 1424 B10R1.17 CCNCC1=NC=CC=C1 23918 [0,2,0,0,0,0|2,0,0]=4 1425 B10R1.17 ClCCOC1=CC=CC=C1 3167 [0,2,0,0,0,0|2,0,0]=4 1426 B10R1.17 ClCOCC1=CC=CC=C1 7566 [0,2,0,0,0,0|2,0,0]=4 1427 B10R1.17 NCCCC1=CC=CN=C1 23791 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.17 NCCOC1=CC=CC=C1 14773 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.17 NCCOC1=CC=CC=C1 15299 [0,2,0,0,0,0|2,0,0]=4 1430 B10R1.17 NNCOC1=CC=CN=C1 16450 [0,2,0,0,0,0|1,0,0]=3 1431 B10R1.17 OCCCC1=CC=CN=C1 13083 [0,2,0,0,0,0|2,0,0]=4 1432 B10R1.17 OCCCC1=NC=CC=C1 13082 [0,2,0,0,0,0|2,0,0]=4 1433 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,2,0,0,0,0|2,0,0]=4 1434 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.20 CCC1=NC=CN=C1CC 8606 [0,2,0,0,0,0|1,0,0]=3 1436 B10R1.20 CNC1=NC=CC=C1CO 29183 [0,2,0,0,0,0|2,0,0]=4 1437 B10R1.20 COC1=C(C#N)C=CC=C1 4812 [0,2,0,0,0,0|2,0,0]=4 1438 B10R1.20 COC1=C(C=O)C=CC=C1 7413 [0,2,0,0,0,0|2,0,0]=4 1439 B10R1.20 COC1=C(C=O)C=CN=C1 33676 [0,2,0,0,0,0|1,0,0]=3 1440 B10R1.20 COC1=C(CBr)C=CC=C1 14738 [0,2,0,0,0,0|2,0,0]=4 1441 B10R1.20 COC1=C(CCl)C=CC=C1 4651 [0,2,0,0,0,0|2,0,0]=4 1442 B10R1.20 COC1=C(CN)C=CC=C1 7402 [0,2,0,0,0,0|2,0,0]=4 1443 B10R1.20 COC1=C(CO)C=CC=C1 7736 [0,2,0,0,0,0|2,0,0]=4 1444 B10R1.20 COC1=C(NN)C=CC=C1 16110 [0,2,0,0,0,0|2,0,0]=4 1445 B10R1.20 COC1=C(NN)C=CC=C1 4496 [0,2,0,0,0,0|2,0,0]=4 1446 B10R1.20 COC1=C(OC)C=CC=C1 15018 [0,2,0,0,0,0|2,0,0]=4 1447 B10R1.20 COC1=C(SC)C=CC=C1 10651 [0,2,0,0,0,0|2,0,0]=4 1448 B10R1.20 COC1=CC=CN=C1C#N 29062 [0,2,0,0,0,0|1,0,0]=3 1449 B10R1.20 COC1=CC=CN=C1CO 24107 [0,2,0,0,0,0|1,0,0]=3 1450 B10R1.20 COC1=CC=CN=C1OC 2412 [0,2,0,0,0,0|1,0,0]=3 1451 B10R1.20 COC1=NC=CC=C1C=O 15124 [0,2,0,0,0,0|1,0,0]=3 1452 B10R1.245 COC1=C(Br)C=CC=C1Br 4108 [0,2,0,0,0,0|2,0,0]=4 1453 B10R1.245 COC1=C(Br)C=CC=C1F 4126 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.245 COC1=C(C)C=CC=C1C 4115 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.245 COC1=C(C)NC=CC1=O 36249 [0,2,0,0,0,0|1,0,1]=4 1456 B10R1.245 COC1=C(Cl)C=CC=C1C 5300 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.245 COC1=C(Cl)C=CC=C1Cl 3682 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.245 COC1=C(Cl)C=CC=C1F 20256 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.245 COC1=C(Cl)N=CN=C1Cl 7077 [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.245 COC1=C(Cl)N=CN=C1N 21486 [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.245 COC1=C(F)C=CC=C1F 1968 [0,2,0,0,0,0|2,0,0]=4 1462 B10R1.245 COC1=C(F)C=CC=C1I 3054 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.245 COC1=C(I)C=CN=C1Br 26876 [0,2,0,0,0,0|1,0,0]=3 1464 B10R1.245 COC1=C(N)C=CC=C1Br 17787 [0,2,0,0,0,0|2,0,0]=4 1465 B10R1.245 COC1=C(N)C=CC=C1Cl 31013 [0,2,0,0,0,0|2,0,0]=4 1466 B10R1.245 COC1=C(N)C=CC=C1F 3021 [0,2,0,0,0,0|2,0,0]=4 1467 B10R1.245 COC1=C(O)C=CC=C1Br 28106 [0,2,0,0,0,0|2,0,0]=4 1468 B10R1.245 COC1=C(O)C=CC=C1Cl 27362 [0,2,0,0,0,0|2,0,0]=4 1469 B10R1.245 COC1=C(O)C=CC=C1F 33437 [0,2,0,0,0,0|2,0,0]=4 1470 B10R1.245 COC1=C(O)C=CN=C1Br 27180 [0,2,0,0,0,0|1,0,0]=3 1471 B10R1.245 COC1=C(O)N=CN=C1O 7100 [0,2,0,0,0,0|2,0,0]=4 1472 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [0,1,0,1,0,0|2,0,0]=4 1473 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [0,1,0,1,0,0|2,0,0]=4 1474 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [0,1,0,1,0,0|2,0,0]=4 1475 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [0,1,0,1,0,0|2,0,0]=4 1476 B10R2.7 C1=CC2=C(C=N1)CNC2 17767 [0,1,0,1,0,0|2,0,0]=4 1477 B10R2.7 C1=CC2=C(C=N1)CNC2 19108 [0,1,0,1,0,0|2,0,0]=4 1478 B10R2.7 C1=CN=C2CCCC2=C1 15900 [0,1,0,1,0,0|2,0,0]=4 1479 B10R2.7 C1=CN=C2CNCC2=C1 11371 [0,1,0,1,0,0|2,0,0]=4 1480 B10R2.7 C1=CN=C2CNCC2=C1 18111 [0,1,0,1,0,0|2,0,0]=4 1481 B10R2.7 C1=CN=C2CNCC2=N1 34561 [0,1,0,1,0,0|1,0,0]=3 1482 B10R2.7 C1=CN=C2NCCC2=C1 18022 [0,1,0,1,0,0|2,0,0]=4 1483 B10R2.7 C1=CN=C2NN=CC2=N1 33390 [0,1,0,1,0,0|1,0,1]=4 1484 B10R2.7 C1=CN=C2SC=CC2=N1 32517 [0,1,0,1,0,0|0,1,1]=4 1485 B10R2.7 C1=NC=C2NCCC2=C1 18023 [0,1,0,1,0,0|2,0,0]=4 1486 B6R1.2 BrC1=CC=CO1 6929 [1,0,0,0,1,0|2,0,0]=4 1487 B6R1.2 BrC1=CC=CS1 5313 [1,0,0,0,1,0|2,0,0]=4 1488 B6R1.2 BrC1=CC=NO1 14443 [1,0,0,0,1,0|2,0,0]=4 1489 B6R1.2 BrC1=CC=NS1 12056 [1,0,0,0,1,0|2,0,0]=4 1490 B6R1.2 BrC1=CN=CS1 2077 [1,0,0,0,1,0|2,0,0]=4 1491 B6R1.2 BrC1=CNC=N1 9443 [1,0,0,0,1,0|1,0,1]=4 1492 B6R1.2 BrC1=CNN=C1 11041 [1,0,0,0,1,0|2,0,0]=4 1493 B6R1.2 BrC1=COC=C1 8830 [1,0,0,0,1,0|2,0,0]=4 1494 B6R1.2 BrC1=CSC=C1 5306 [1,0,0,0,1,0|2,0,0]=4 1495 B6R1.2 BrC1=CSC=N1 4040 [1,0,0,0,1,0|2,0,0]=4 1496 B6R1.2 BrC1=CSN=C1 12057 [1,0,0,0,1,0|2,0,0]=4 1497 B6R1.2 BrC1=NC=CN1 8987 [1,0,0,0,1,0|1,0,1]=4 1498 B6R1.2 BrC1=NC=CS1 15748 [1,0,0,0,1,0|2,0,0]=4 1499 B6R1.2 BrC1=NNC=C1 22992 [1,0,0,0,1,0|2,0,0]=4 1500 B6R1.2 BrC1=NNC=N1 20960 [1,0,0,0,1,0|2,0,0]=4 1501 B6R1.2 BrC1=NSC=C1 12058 [1,0,0,0,1,0|2,0,0]=4 1502 B6R1.2 CC1=CC=CO1 11230 [1,0,0,0,1,0|1,0,0]=3 1503 B6R1.2 CC1=CC=CS1 5204 [1,0,0,0,1,0|1,0,0]=3 1504 B6R1.2 CC1=CC=NN1 10442 [1,0,0,0,1,0|1,0,0]=3 1505 B6R1.2 CC1=CC=NO1 8634 [1,0,0,0,1,0|1,0,0]=3 1506 B6R1.2 CC1=CC=NS1 45145 [1,0,0,0,1,0|1,0,0]=3 1507 B6R1.2 CC1=CNC=C1 13921 [1,0,0,0,1,0|0,0,1]=3 1508 B6R1.2 CC1=CNC=N1 7153 [1,0,0,0,1,0|0,0,1]=3 1509 B6R1.2 CC1=CNN=C1 13055 [1,0,0,0,1,0|1,0,0]=3 1510 B6R1.2 CC1=COC=C1 19993 [1,0,0,0,1,0|1,0,0]=3 1511 B6R1.2 CC1=COC=N1 23604 [1,0,0,0,1,0|1,0,0]=3 1512 B6R1.2 CC1=CON=C1 24245 [1,0,0,0,1,0|1,0,0]=3 1513 B6R1.2 CC1=CSC=C1 5565 [1,0,0,0,1,0|1,0,0]=3 1514 B6R1.2 CC1=CSC=N1 23683 [1,0,0,0,1,0|1,0,0]=3 1515 B6R1.2 CC1=NC=CN1 8049 [1,0,0,0,1,0|0,0,1]=3 1516 B6R1.2 CC1=NC=CS1 15749 [1,0,0,0,1,0|1,0,0]=3 1517 B6R1.2 CC1=NN=NN1 9130 [1,0,0,0,1,0|2,0,0]=4 1518 B6R1.2 CC1=NNC=C1 13253 [1,0,0,0,1,0|1,0,0]=3 1519 B6R1.2 CC1=NNC=N1 23317 [1,0,0,0,1,0|1,0,0]=3 1520 B6R1.2 CN1C=CC=C1 10822 [1,0,0,0,1,0|2,0,0]=4 1521 B6R1.2 CN1C=CC=N1 20862 [1,0,0,0,1,0|1,0,0]=3 1522 B6R1.2 CN1C=CN=C1 15971 [1,0,0,0,1,0|1,0,0]=3 1523 B6R1.2 CN1C=CN=N1 23531 [1,0,0,0,1,0|2,0,0]=4 1524 B6R1.2 CN1C=NC=N1 22534 [1,0,0,0,1,0|1,0,0]=3 1525 B6R1.2 CN1C=NN=C1 24226 [1,0,0,0,1,0|2,0,0]=4 1526 B6R1.2 CN1C=NN=N1 27267 [1,0,0,0,1,0|2,0,0]=4 1527 B6R1.2 ClC1=CC=CS1 7376 [1,0,0,0,1,0|2,0,0]=4 1528 B6R1.2 ClC1=CNN=C1 14005 [1,0,0,0,1,0|2,0,0]=4 1529 B6R1.2 ClC1=CSC=C1 5477 [1,0,0,0,1,0|2,0,0]=4 1530 B6R1.2 ClC1=NC=CN1 7597 [1,0,0,0,1,0|1,0,1]=4 1531 B6R1.2 ClC1=NC=CS1 15569 [1,0,0,0,1,0|2,0,0]=4 1532 B6R1.2 ClC1=NC=NS1 20014 [1,0,0,0,1,0|2,0,0]=4 1533 B6R1.2 ClC1=NNC=C1 23622 [1,0,0,0,1,0|2,0,0]=4 1534 B6R1.2 FC1=CN=CN1 13602 [1,0,0,0,1,0|1,0,1]=4 1535 B6R1.2 FC1=NC=CN1 13605 [1,0,0,0,1,0|1,0,1]=4 1536 B6R1.2 IC1=CC=CS1 5547 [1,0,0,0,1,0|2,0,0]=4 1537 B6R1.2 IC1=CN=CS1 27981 [1,0,0,0,1,0|2,0,0]=4 1538 B6R1.2 IC1=CNC=N1 7930 [1,0,0,0,1,0|1,0,1]=4 1539 B6R1.2 IC1=CNN=C1 13295 [1,0,0,0,1,0|2,0,0]=4 1540 B6R1.2 IC1=CSC=C1 16213 [1,0,0,0,1,0|2,0,0]=4 1541 B6R1.2 IC1=NC=CN1 9423 [1,0,0,0,1,0|1,0,1]=4 1542 B6R1.2 NC1=CC=CN1 13838 [1,0,0,0,1,0|1,0,1]=4 1543 B6R1.2 NC1=CC=NO1 24641 [1,0,0,0,1,0|2,0,0]=4 1544 B6R1.2 NC1=CC=NS1 24255 [1,0,0,0,1,0|2,0,0]=4 1545 B6R1.2 NC1=CN=CS1 17251 [1,0,0,0,1,0|2,0,0]=4 1546 B6R1.2 NC1=CN=CS1 20291 [1,0,0,0,1,0|2,0,0]=4 1547 B6R1.2 NC1=CNC=N1 19885 [1,0,0,0,1,0|1,0,1]=4 1548 B6R1.2 NC1=CNN=C1 14988 [1,0,0,0,1,0|2,0,0]=4 1549 B6R1.2 NC1=CON=C1 22316 [1,0,0,0,1,0|2,0,0]=4 1550 B6R1.2 NC1=CSC=C1 14847 [1,0,0,0,1,0|2,0,0]=4 1551 B6R1.2 NC1=CSC=C1 25687 [1,0,0,0,1,0|2,0,0]=4 1552 B6R1.2 NC1=NC=CN1 23659 [1,0,0,0,1,0|1,0,1]=4 1553 B6R1.2 NC1=NC=CN1 8378 [1,0,0,0,1,0|1,0,1]=4 1554 B6R1.2 NC1=NC=CS1 20596 [1,0,0,0,1,0|2,0,0]=4 1555 B6R1.2 NC1=NC=NS1 11136 [1,0,0,0,1,0|2,0,0]=4 1556 B6R1.2 NC1=NNC=C1 11252 [1,0,0,0,1,0|2,0,0]=4 1557 B6R1.2 NC1=NNC=C1 17834 [1,0,0,0,1,0|2,0,0]=4 1558 B6R1.2 NC1=NNC=N1 16495 [1,0,0,0,1,0|2,0,0]=4 1559 B6R1.2 NC1=NOC=C1 8627 [1,0,0,0,1,0|2,0,0]=4 1560 B6R1.2 OC1=CC=NN1 23482 [1,0,0,0,1,0|1,0,0]=3 1561 B6R1.2 ON1C=CC=N1 27109 [1,0,0,0,1,0|1,0,0]=3 1562 B6R1.2 SC1=CC=CS1 7755 [1,0,0,0,1,0|1,1,0]=4 1563 B6R1.2 SC1=NC=CO1 24604 [1,0,0,0,1,0|1,1,0]=4