0 B8R1.2 C#Cc1ccccc1 LS10701 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.2 CNc1cccnc1 LS20470 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 c1cc(cnc1)C=O LS20485 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 c1ccc(cc1)C=O LS41490 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 c1ccc(cc1)CO LS41488 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 c1cnc(cn1)CN LS20127 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.2 c1cnc(cn1)CN LS20128 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.2 c1cnccc1C=O LS20943 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 c1cnccc1CN LS20857 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 c1cnccc1NN LS20045 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 c1c(cncn1)Br LS21249 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.3 c1c(cncn1)Cl LS20622 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.3 c1c(cncn1)F LS20621 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.3 c1cc(cnc1)Br LS20426 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.3 c1cc(cnc1)F LS20779 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [1,0,0,0,0,0|1,1,0]=3 16 B7R1.3 c1ccnc(c1)Br LS20874 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 c1ccnc(c1)F LS20778 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 c1ccnc(c1)N LS20582 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.3 c1cnc(cn1)Cl LS20940 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.3 c1cnc(nc1)N LS20478 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 c1cnccc1F LS40545 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.3 c1cnccc1N LS20499 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 c1cnccc1O LS21099 [1,0,0,0,0,0|1,1,0]=3 24 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [0,1,0,0,0,0|1,0,1]=3 25 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [0,1,0,0,0,0|1,0,1]=3 26 B9R1.1 CCc1ccc(cc1)F LS11765 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.1 CCc1ccc(cn1)Br LS21179 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.1 COc1ccc(cc1)O LS10474 [0,1,0,0,0,0|0,1,0]=2 29 B9R1.1 COc1ccc(cc1)S LS11831 [0,1,0,0,0,0|0,1,0]=2 30 B9R1.1 COc1ccc(cn1)Br LS21039 [0,1,0,0,0,0|1,1,0]=3 31 B9R1.1 COc1ccc(cn1)F LS20238 [0,1,0,0,0,0|1,1,0]=3 32 B9R1.1 COc1ccc(cn1)N LS20615 [0,1,0,0,0,0|1,1,0]=3 33 B9R1.1 COc1ccc(nc1)Cl LS20524 [0,1,0,0,0,0|1,1,0]=3 34 B9R1.1 COc1ncc(cn1)N LS21217 [0,1,0,0,0,0|2,1,0]=4 35 B9R1.1 CSc1cnc(cn1)Br LS20173 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.1 Cc1ccc(cc1)C#C LS10578 [0,1,0,0,0,0|1,0,1]=3 37 B9R1.1 Cc1ccc(cc1)CBr LS11264 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.1 Cc1ccc(cc1)CN LS11220 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.1 Cc1ccc(cc1)CO LS11273 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.1 Cc1ccc(nc1)C#N LS20218 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.1 Cc1ccc(nc1)OC LS20323 [0,1,0,0,0,0|1,1,0]=3 42 B9R1.1 c1cc(ccc1C#N)Br LS11574 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 c1cc(ccc1C#N)F LS10440 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.1 c1cc(ccc1C#N)N LS10115 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.1 c1cc(ccc1CBr)Br LS11427 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.1 c1cc(ccc1CBr)F LS10228 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.1 c1cc(ccc1CBr)I LS11269 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.1 c1cc(ccc1CO)I LS11275 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.1 c1cc(ccc1CO)N LS10779 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.1 c1cc(ccc1NN)F LS10358 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.1 c1cc(ncc1Br)C#N LS20014 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 c1cc(ncc1Br)C=O LS20518 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 c1cc(ncc1Br)CO LS20572 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 c1cc(ncc1Br)NN LS20208 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 c1cc(ncc1C#N)Br LS20012 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 c1cc(ncc1C#N)Cl LS20006 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.1 c1cc(ncc1C=O)Br LS20544 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.1 c1cc(ncc1CO)N LS40930 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.1 c1cc(ncc1Cl)C#N LS20081 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.1 c1cc(ncc1F)C#N LS20040 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.2 C#Cc1cccc(c1)N LS10320 [0,1,0,0,0,0|1,0,1]=3 66 B9R1.2 C=Cc1cccc(c1)Br LS11651 [0,1,0,0,0,0|1,0,1]=3 67 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [0,1,0,0,0,0|1,0,1]=3 68 B9R1.2 C=Cc1cccc(c1)F LS11648 [0,1,0,0,0,0|1,0,1]=3 69 B9R1.2 CNc1cccc(c1)Cl LS10187 [0,1,0,0,0,0|1,0,0]=2 70 B9R1.2 COc1cc(ccn1)Br LS21151 [0,1,0,0,0,0|1,1,0]=3 71 B9R1.2 COc1cc(ccn1)Cl LS20320 [0,1,0,0,0,0|1,1,0]=3 72 B9R1.2 COc1cc(ccn1)N LS20329 [0,1,0,0,0,0|1,1,0]=3 73 B9R1.2 COc1cc(nnc1)Cl LS21025 [0,1,0,0,0,0|2,1,0]=4 74 B9R1.2 COc1cccc(n1)Cl LS20709 [0,1,0,0,0,0|1,1,0]=3 75 B9R1.2 COc1cccc(n1)N LS20232 [0,1,0,0,0,0|1,1,0]=3 76 B9R1.2 Cc1cccc(c1)C=O LS11853 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.2 Cc1cccc(c1)CBr LS11263 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.2 Cc1cccc(c1)CCl LS11215 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.2 Cc1cccc(c1)CN LS11219 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.2 Cc1cccc(n1)CO LS20207 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.2 c1c(cncc1Br)C=O LS20038 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.2 c1cc(cc(c1)F)CO LS11387 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.2 c1cc(nc(c1)Cl)C=O LS20219 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.2 c1cc(nc(c1)Cl)NN LS20226 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.2 c1cnc(cc1C#N)Cl LS20845 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.2 c1cnc(cc1C#N)N LS20631 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.2 c1cnc(cc1CO)N LS21015 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.6 B(c1cccnc1)(O)O LS20190 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.6 B(c1ccncc1)(O)O LS20393 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.8 CNNc1ccccc1 LS10173 [0,1,0,0,0,0|1,0,0]=2 104 B9R1.8 c1cc(cnc1)CC=O LS21221 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.8 c1ccc(cc1)CCN LS10634 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.8 c1ccc(cc1)CCN LS10635 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.8 c1ccc(cc1)CNO LS11836 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.8 c1ccc(cc1)CNO LS40338 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.8 c1ccc(cc1)CON LS40003 [0,1,0,0,0,0|1,1,0]=3 110 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [0,1,0,0,0,0|0,1,1]=3 111 B9R1.8 c1ccnc(c1)CC#N LS20875 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.8 c1cnccc1CCN LS21103 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.15 C=Cc1ccccc1Br LS11653 [0,1,0,0,0,0|1,0,1]=3 114 B9R1.15 C=Cc1ccccc1Cl LS11654 [0,1,0,0,0,0|1,0,1]=3 115 B9R1.15 C=Cc1ccccc1F LS11647 [0,1,0,0,0,0|1,0,1]=3 116 B9R1.15 CCc1c(cncn1)F LS20618 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.15 CNc1ccccc1Br LS11478 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.15 CNc1ccccc1F LS10646 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.15 COc1c(cccn1)I LS20331 [0,1,0,0,0,0|1,1,0]=3 120 B9R1.15 COc1cccnc1Br LS20368 [0,1,0,0,0,0|1,1,0]=3 121 B9R1.15 COc1cncnc1N LS20720 [0,1,0,0,0,0|2,1,0]=4 122 B9R1.15 CSc1ccccc1Br LS11369 [0,1,0,0,0,0|0,0,0]=1 123 B9R1.15 Cc1ccccc1C#C LS11393 [0,1,0,0,0,0|1,0,1]=3 124 B9R1.15 Cc1ccccc1C=O LS11852 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.15 Cc1ccccc1CBr LS11262 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.15 Cc1ccccc1CN LS11218 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.15 Cc1ccccc1CO LS11274 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.15 Cc1ccncc1C#N LS20001 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.15 c1cc(c(nc1)C#N)Br LS20446 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.15 c1cc(c(nc1)C#N)I LS20062 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.15 c1cc(c(nc1)CO)O LS20165 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.15 c1cc(c(nc1)Cl)CO LS20227 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.15 c1cc(c(nc1)N)C#N LS20375 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.15 c1cc(c(nc1)N)CO LS41435 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.15 c1cc(c(nc1)O)C#N LS20339 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.15 c1ccc(c(c1)CO)F LS11270 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.15 c1ccc(c(c1)CO)I LS11276 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.15 c1ccc(c(c1)CO)N LS10594 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.15 c1ccc(c(c1)NN)F LS11539 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.15 c1cncc(c1Br)C#N LS20628 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.15 c1cncc(c1C=O)Br LS20109 [0,1,0,0,0,0|3,0,0]=4 153 B7R1.1 CCc1[nH]ccn1 LS20052 [0,0,0,0,1,0|3,0,0]=4 154 B7R1.1 c1cc([nH]c1)C=O LS00119 [0,0,0,0,1,0|3,0,0]=4 155 B7R1.1 c1cc(sc1)C=O LS40350 [0,0,0,0,1,0|3,0,0]=4 156 B7R1.1 c1cc(sc1)CO LS20642 [0,0,0,0,1,0|3,0,0]=4 157 B7R1.1 c1cscc1C=O LS20646 [0,0,0,0,1,0|3,0,0]=4 158 B6R1.1 c1cc[nH+]cc1 LS00013 [2,0,0,0,0,0|1,0,0]=3 159 B6R1.1 c1ccncc1 LS40760 [2,0,0,0,0,0|1,0,0]=3 160 B6R1.1 c1cnccn1 LS20037 [2,0,0,0,0,0|2,0,0]=4 161 B6R1.1 c1cncnc1 LS20614 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [1,1,0,0,0,0|0,1,0]=3 163 B8R1.3 Cc1ccc(cc1)Cl LS11416 [1,1,0,0,0,0|0,0,0]=2 164 B8R1.3 Cc1ccc(cn1)Br LS20399 [1,1,0,0,0,0|1,0,0]=3 165 B8R1.3 Cc1ccc(nc1)Br LS20538 [1,1,0,0,0,0|1,0,0]=3 166 B8R1.3 Cc1ccc(nc1)Cl LS20543 [1,1,0,0,0,0|1,0,0]=3 167 B8R1.3 Cc1ccc(nn1)Cl LS21118 [1,1,0,0,0,0|2,0,0]=4 168 B8R1.3 Cc1cnc(cn1)N LS20063 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [1,1,0,0,0,0|1,1,0]=4 170 B8R1.3 c1cc(ccc1Br)I LS11203 [1,1,0,0,0,0|1,0,0]=3 171 B8R1.3 c1cc(ccc1F)F LS11211 [1,1,0,0,0,0|1,0,0]=3 172 B8R1.3 c1cc(ccc1N)Br LS11446 [1,1,0,0,0,0|1,0,0]=3 173 B8R1.3 c1cc(ccc1N)I LS11481 [1,1,0,0,0,0|1,0,0]=3 174 B8R1.3 c1cc(ccc1O)Br LS11445 [1,1,0,0,0,0|0,1,0]=3 175 B8R1.3 c1cc(ccc1O)F LS10647 [1,1,0,0,0,0|0,1,0]=3 176 B8R1.3 c1cc(ccc1O)I LS10366 [1,1,0,0,0,0|0,1,0]=3 177 B8R1.3 c1cc(ncc1Br)Br LS21029 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.3 c1cc(ncc1Br)Cl LS20547 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.3 c1cc(ncc1Br)F LS20408 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.3 c1cc(ncc1Br)I LS20184 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.3 c1cc(ncc1Cl)Br LS20546 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.3 c1cc(ncc1Cl)Cl LS20534 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.3 c1cc(ncc1Cl)F LS20537 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.3 c1cc(ncc1F)Br LS20585 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.3 c1cc(ncc1F)F LS20951 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.3 c1cc(ncc1F)N LS20484 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.3 c1cc(ncc1F)O LS20722 [1,1,0,0,0,0|1,1,0]=4 188 B8R1.3 c1cc(ncc1I)Cl LS20455 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.3 c1cc(ncc1I)F LS20342 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.3 c1cc(ncc1I)N LS20442 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.3 c1cc(ncc1N)Cl LS20443 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.3 c1cc(ncc1N)F LS20550 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.3 c1cc(ncc1N)O LS20334 [1,1,0,0,0,0|1,1,0]=4 194 B8R1.3 c1cc(ncc1O)F LS20343 [1,1,0,0,0,0|1,1,0]=4 195 B8R1.3 c1cc(ncc1O)N LS20718 [1,1,0,0,0,0|1,1,0]=4 196 B8R1.4 Cc1cc(cnc1)Br LS20401 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.4 Cc1cc(cnc1)C LS41253 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.4 Cc1cc(ncn1)Cl LS20096 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.4 Cc1cccc(n1)Br LS20561 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.4 Cc1cccc(n1)Cl LS20527 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.4 Cc1ccnc(c1)Br LS20539 [1,1,0,0,0,0|1,0,0]=3 202 B8R1.4 Cc1ccnc(c1)Cl LS20535 [1,1,0,0,0,0|1,0,0]=3 203 B8R1.4 Cc1ccnc(c1)F LS20532 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.4 Cc1ccnc(n1)Cl LS20314 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.4 Cc1ccnc(n1)O LS20077 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.4 Cc1nccc(n1)Cl LS20043 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.4 c1c(cncc1Br)Br LS20981 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.4 c1c(cncc1Br)N LS20949 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.4 c1c(cncc1Cl)Cl LS20213 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.4 c1c(cncc1F)O LS20013 [1,1,0,0,0,0|1,1,0]=4 211 B8R1.4 c1cc(cc(c1)Br)N LS10546 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.4 c1cc(cc(c1)F)F LS10472 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.4 c1cc(cc(c1)F)O LS11397 [1,1,0,0,0,0|0,1,0]=3 214 B8R1.4 c1cc(cc(c1)I)Br LS11202 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.4 c1cc(cc(c1)I)N LS10554 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.4 c1cc(cc(c1)S)O LS11830 [1,1,0,0,0,0|0,0,0]=2 217 B8R1.4 c1cc(nc(c1)Br)Cl LS20266 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.4 c1cc(nc(c1)Br)F LS20210 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.4 c1cc(nc(c1)Br)N LS21036 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.4 c1cc(nc(c1)Cl)N LS20252 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [1,1,0,0,0,0|1,1,0]=4 222 B8R1.4 c1cc(nc(c1)F)F LS20009 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.4 c1cnc(cc1Br)Br LS20383 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.4 c1cnc(cc1Br)Cl LS20559 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.4 c1cnc(cc1Br)F LS20514 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.4 c1cnc(cc1Br)N LS20124 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.4 c1cnc(cc1Br)O LS20336 [1,1,0,0,0,0|1,1,0]=4 228 B8R1.4 c1cnc(cc1Cl)Cl LS21157 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.4 c1cnc(cc1Cl)N LS20373 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.4 c1cnc(cc1F)Cl LS20357 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.4 c1cnc(cc1I)Br LS20183 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.4 c1cnc(cc1I)Cl LS20424 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.4 c1cnc(cc1I)F LS20204 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.4 c1cnc(cc1N)Br LS20188 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.4 c1cnc(cc1N)Cl LS20509 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.4 c1cnc(cc1O)Cl LS20425 [1,1,0,0,0,0|1,1,0]=4 237 B8R1.4 c1cnc(cc1O)N LS20319 [1,1,0,0,0,0|1,1,0]=4 238 B8R1.5 Cc1c(cccn1)Br LS20529 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.5 Cc1c(cccn1)F LS00100 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.5 Cc1c(cccn1)O LS20321 [1,1,0,0,0,0|1,0,0]=3 241 B8R1.5 Cc1c(cncn1)Br LS20023 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.5 Cc1c(cncn1)Cl LS21219 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.5 Cc1c(nccn1)Cl LS20451 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.5 Cc1ccccc1Cl LS11417 [1,1,0,0,0,0|0,0,0]=2 245 B8R1.5 Cc1cccnc1Br LS20246 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.5 Cc1cccnc1F LS20403 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.5 Cc1cccnc1N LS20579 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.5 Cc1cccnc1O LS20286 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.5 Cc1ccncc1Br LS20222 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.5 Cc1ccncc1F LS20260 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.5 Cc1ccncc1N LS20500 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.5 Cc1cnccc1Br LS20316 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.5 Cc1cnccc1Cl LS20243 [1,1,0,0,0,0|1,0,0]=3 254 B8R1.5 Cc1cncnc1Cl LS20953 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.5 Cn1ccccc1=O LS40391 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.5 c1cc(c(nc1)Br)Br LS20191 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.5 c1cc(c(nc1)Br)F LS20948 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.5 c1cc(c(nc1)Br)N LS20186 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.5 c1cc(c(nc1)Cl)Cl LS20542 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.5 c1cc(c(nc1)Cl)I LS20536 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.5 c1cc(c(nc1)F)Br LS20414 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.5 c1cc(c(nc1)F)F LS20846 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.5 c1cc(c(nc1)I)N LS20187 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.5 c1cc(c(nc1)N)Br LS20925 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.5 c1cc(c(nc1)N)F LS20418 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.5 c1cc(c(nc1)N)N LS20494 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.5 c1cc[n+](c(c1)Cl)[O-] LS21129 [1,1,0,0,0,0|1,1,0]=4 269 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.5 c1ccc(c(c1)Br)I LS10473 [1,1,0,0,0,0|1,0,0]=3 271 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [1,1,0,0,0,0|1,0,0]=3 272 B8R1.5 c1ccc(c(c1)N)Br LS11448 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.5 c1ccc(c(c1)N)I LS10537 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.5 c1ccc(c(c1)O)Br LS11447 [1,1,0,0,0,0|0,1,0]=3 276 B8R1.5 c1ccc(c(c1)O)F LS10471 [1,1,0,0,0,0|0,1,0]=3 277 B8R1.5 c1ccc(c(c1)O)I LS00004 [1,1,0,0,0,0|0,1,0]=3 278 B8R1.5 c1ccn(c(=O)c1)O LS21131 [1,1,0,0,0,0|1,1,0]=4 279 B8R1.5 c1cncc(c1Br)Cl LS20493 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.5 c1cncc(c1Cl)Cl LS20322 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.5 c1cncc(c1N)F LS20317 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.5 c1cncc(c1N)N LS00018 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.7 CC(=O)c1cccs1 LS20643 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.7 CC(=O)c1ccsc1 LS20391 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.8 c1cc(sc1)CCN LS21113 [0,1,0,0,1,0|2,0,0]=4 286 B8R1.8 c1cc(sc1)CCO LS21112 [0,1,0,0,1,0|2,0,0]=4 287 B10R1.1 CCOc1ccc(cn1)Br LS20352 [0,2,0,0,0,0|1,1,0]=4 288 B10R1.1 Cc1ccc(cc1)CCN LS11229 [0,2,0,0,0,0|1,0,0]=3 289 B10R1.1 Cc1ccc(cc1)CCO LS11239 [0,2,0,0,0,0|1,0,0]=3 290 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [0,2,0,0,0,0|1,0,1]=4 291 B10R1.1 c1cc(ccc1CCN)Br LS11228 [0,2,0,0,0,0|1,0,0]=3 292 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [0,2,0,0,0,0|1,0,0]=3 293 B10R1.1 c1cc(ccc1CCN)N LS10602 [0,2,0,0,0,0|1,0,0]=3 294 B10R1.1 c1cc(ccc1CCN)O LS11714 [0,2,0,0,0,0|1,0,0]=3 295 B10R1.1 c1cc(ccc1CCO)Br LS11249 [0,2,0,0,0,0|1,0,0]=3 296 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [0,2,0,0,0,0|1,0,0]=3 297 B10R1.1 c1cc(ccc1CCO)F LS11241 [0,2,0,0,0,0|1,0,0]=3 298 B10R1.3 c1cc(ccc1CCl)C#N LS11851 [0,2,0,0,0,0|2,0,0]=4 299 B10R1.3 c1cc(ccc1CCl)CCl LS11854 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.13 B(c1ccc(cc1)Br)(O)O LS10182 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.13 B(c1ccc(cc1)Cl)(O)O LS00091 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.13 B(c1ccc(cc1)I)(O)O LS10893 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.13 B(c1ccc(cc1)O)(O)O LS10892 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.13 B(c1ccc(cc1)S)(O)O LS00089 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,2,0,0,0,0|1,0,0]=3 309 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,2,0,0,0,0|1,0,0]=3 310 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,2,0,0,0,0|1,0,0]=3 311 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,2,0,0,0,0|1,0,0]=3 312 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [0,2,0,0,0,0|1,0,0]=3 315 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [0,2,0,0,0,0|1,0,0]=3 316 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [0,2,0,0,0,0|2,0,0]=4 321 B10R1.25 COc1c(cc(cn1)Br)Br LS20333 [0,2,0,0,0,0|1,1,0]=4 322 B10R1.25 COc1c(cc(cn1)Br)Cl LS00025 [0,2,0,0,0,0|1,1,0]=4 323 B10R1.25 COc1c(cc(cn1)Br)F LS20011 [0,2,0,0,0,0|1,1,0]=4 324 B10R1.25 COc1c(cc(cn1)Cl)Br LS20332 [0,2,0,0,0,0|1,1,0]=4 325 B10R1.25 COc1c(cc(cn1)N)Br LS20553 [0,2,0,0,0,0|1,1,0]=4 326 B10R1.25 COc1ccc(cc1Br)N LS10092 [0,2,0,0,0,0|0,1,0]=3 327 B10R1.25 COc1ccc(cc1F)N LS10107 [0,2,0,0,0,0|0,1,0]=3 328 B10R1.25 COc1ccc(cc1F)O LS10467 [0,2,0,0,0,0|0,1,0]=3 329 B10R1.25 COc1ccc(cc1I)N LS10132 [0,2,0,0,0,0|0,1,0]=3 330 B10R1.25 Cc1cc(ccc1C#N)Br LS10274 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.25 c1cc(c(cc1Br)Cl)C#N LS11359 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.25 c1cc(c(cc1Br)F)C#N LS11209 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.25 c1cc(c(cc1Cl)N)C#N LS11442 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.25 c1cc(c(cc1F)Cl)C#N LS10355 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.25 c1cc(c(cc1I)F)C#N LS11208 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.25 c1cc(c(cc1N)F)C#N LS11207 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.25 c1cc(c(cc1O)Cl)C#N LS10262 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.176 COc1ccc(c(c1)Br)Cl LS11200 [0,2,0,0,0,0|0,1,0]=3 352 B10R1.176 COc1ccc(c(c1)Br)N LS10024 [0,2,0,0,0,0|0,1,0]=3 353 B10R1.176 COc1ccc(c(c1)I)N LS10038 [0,2,0,0,0,0|0,1,0]=3 354 B10R1.176 COc1ccc(c(c1)N)Br LS11669 [0,2,0,0,0,0|0,1,0]=3 355 B10R1.176 COc1ccc(c(c1)N)F LS10016 [0,2,0,0,0,0|0,1,0]=3 356 B10R1.176 Cc1c(ccc(n1)OC)Br LS20326 [0,2,0,0,0,0|1,1,0]=4 357 B10R1.176 Cc1c(ccc(n1)OC)F LS20325 [0,2,0,0,0,0|1,1,0]=4 358 B10R1.176 Cc1c(ccc(n1)OC)N LS20506 [0,2,0,0,0,0|1,1,0]=4 359 B10R1.176 Cc1c(ccc(n1)OC)N LS20740 [0,2,0,0,0,0|1,1,0]=4 360 B10R1.176 Cc1cc(ccc1Br)C#N LS00135 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.176 Cc1cc(ccc1Cl)C#N LS10009 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.176 Cc1cc(ncc1Br)OC LS20327 [0,2,0,0,0,0|1,1,0]=4 363 B10R1.176 Cc1cc(ncc1N)OC LS20328 [0,2,0,0,0,0|1,1,0]=4 364 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.176 Cc1ccc(cc1F)C#N LS10444 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.176 c1cc(c(cc1C#N)Cl)Br LS10143 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.176 c1cc(c(cc1C#N)F)Br LS10276 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.176 c1cc(c(cc1C#N)N)N LS10415 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.176 c1cc(c(cc1CN)Cl)Cl LS11225 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.2 COc1cccc(c1Cl)N LS10071 [0,2,0,0,0,0|0,1,0]=3 379 B10R1.2 COc1cccc(c1F)Br LS10315 [0,2,0,0,0,0|0,1,0]=3 380 B10R1.2 Cc1c(cccc1Cl)OC LS11764 [0,2,0,0,0,0|0,1,0]=3 381 B10R1.2 Cc1c(cccc1F)C#N LS10445 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.2 Cc1c(cccc1F)C=O LS10501 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.2 Cc1c(cccc1OC)N LS11795 [0,2,0,0,0,0|0,1,0]=3 384 B10R1.2 Cc1c(cccc1OC)N LS11803 [0,2,0,0,0,0|0,1,0]=3 385 B10R1.2 Cc1cccc(c1Cl)C#N LS10020 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.2 Cc1cccc(c1F)C#N LS10264 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.2 Cc1cccc(c1F)C=O LS10502 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.2 c1cc(c(c(c1)Br)F)C=O LS11298 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.2 c1cc(c(c(c1)Br)F)CO LS11308 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr LS11265 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN LS11222 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.2 c1cc(c(c(c1)Cl)F)C=O LS10517 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.2 c1cc(c(c(c1)Cl)O)C=O LS10135 [0,2,0,0,0,0|2,0,0]=4 394 B10R1.2 c1cc(c(c(c1)F)Br)C=O LS10514 [0,2,0,0,0,0|2,0,0]=4 395 B10R1.2 c1cc(c(c(c1)F)Cl)C=O LS10544 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.2 c1cc(c(c(c1)F)F)C=O LS10508 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.2 c1cc(c(c(c1)F)I)C=O LS10507 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.2 c1cc(c(c(c1)F)O)C=O LS10305 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.8 COc1cc(cc(c1)Br)Br LS10488 [0,2,0,0,0,0|0,1,0]=3 401 B10R1.8 COc1cc(cc(c1)Br)F LS10314 [0,2,0,0,0,0|0,1,0]=3 402 B10R1.8 COc1cc(cc(c1)Cl)Cl LS10338 [0,2,0,0,0,0|0,1,0]=3 403 B10R1.8 Cc1cc(cc(c1)Cl)C=O LS10080 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.8 c1c(cc(cc1Cl)Cl)C=O LS10376 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.8 c1c(cc(cc1F)Br)C=O LS10512 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.10 Cc1cccc(c1)CCO LS11238 [0,2,0,0,0,0|1,0,0]=3 407 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [0,2,0,0,0,0|1,0,0]=3 408 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [0,2,0,0,0,0|1,0,0]=3 410 B10R1.10 c1cc(cc(c1)F)CC#N LS10556 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [0,2,0,0,0,0|1,0,0]=3 412 B10R1.30 COc1cc(ccc1Br)Br LS10232 [0,2,0,0,0,0|0,1,0]=3 413 B10R1.30 COc1cc(ccc1Cl)I LS10238 [0,2,0,0,0,0|0,1,0]=3 414 B10R1.30 COc1cc(ccc1F)F LS11368 [0,2,0,0,0,0|0,1,0]=3 415 B10R1.30 COc1cc(ccc1F)N LS10127 [0,2,0,0,0,0|0,1,0]=3 416 B10R1.30 COc1cc(ccc1F)O LS10037 [0,2,0,0,0,0|0,1,0]=3 417 B10R1.30 COc1cc(ccc1I)Cl LS10237 [0,2,0,0,0,0|0,1,0]=3 418 B10R1.30 COc1cc(ccc1N)Br LS10476 [0,2,0,0,0,0|0,1,0]=3 419 B10R1.30 COc1cc(ccc1N)I LS10552 [0,2,0,0,0,0|0,1,0]=3 420 B10R1.30 Cc1ccc(c(c1)C#N)F LS10446 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [0,2,0,0,0,0|0,1,0]=3 424 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [0,2,0,0,0,0|1,1,0]=4 425 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.30 c1cc(c(cc1Br)CCl)Cl LS10048 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.30 c1cc(c(cc1Br)NN)Br LS11316 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.30 c1cc(c(cc1Cl)NN)F LS10281 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.30 c1cc(c(cc1F)C#N)Br LS10364 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.30 c1cc(c(cc1F)CBr)Br LS10492 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.30 c1cc(c(cc1F)CCl)Br LS10493 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.30 c1cc(c(cc1F)CO)Br LS10490 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.30 c1cc(c(cc1I)C#N)Cl LS10438 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.113 B(c1cccc(c1)Br)(O)O LS10826 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.113 B(c1cccc(c1)C)(O)O LS10847 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.113 B(c1cccc(c1)Cl)(O)O LS00152 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.113 B(c1cccc(c1)F)(O)O LS10837 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.113 B(c1cccc(c1)N)(O)O LS10820 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.113 B(c1cccc(c1)N)(O)O LS10821 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.113 B(c1cccc(c1)N)(O)O LS11541 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.113 B(c1cccc(c1)O)(O)O LS10839 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.113 B(c1cccc(c1)S)(O)O LS10841 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,2,0,0,0,0|1,0,0]=3 451 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.113 CN(C)c1cccc(c1)O LS11214 [0,2,0,0,0,0|1,0,0]=3 453 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.172 CCc1cccc(c1)C=O LS10374 [0,2,0,0,0,0|1,0,0]=3 457 B10R1.172 CCc1cccc(n1)CC LS21232 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.172 c1cc(cc(c1)C#N)C=O LS11367 [0,2,0,0,0,0|2,0,0]=4 459 B10R1.172 c1cc(cc(c1)C#N)CCl LS11850 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.172 c1cc(cc(c1)C=O)C=O LS11856 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.172 c1cc(cc(c1)CCl)CCl LS10008 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.172 c1cc(cc(c1)CO)CO LS11278 [0,2,0,0,0,0|2,0,0]=4 463 B10R1.15 CC(CN)c1ccccc1 LS10637 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.15 CC(CN)c1ccccc1 LS10638 [0,2,0,0,0,0|1,0,0]=3 465 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [0,2,0,0,0,0|1,0,0]=3 466 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [0,2,0,0,0,0|1,0,0]=3 467 B10R1.15 COC(=O)c1cccnc1 LS20584 [0,2,0,0,0,0|1,1,0]=4 468 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [0,2,0,0,0,0|1,0,0]=3 469 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [0,2,0,0,0,0|1,0,0]=3 470 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [0,2,0,0,0,0|1,0,0]=3 471 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [0,2,0,0,0,0|1,0,0]=3 473 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [0,2,0,0,0,0|1,0,0]=3 476 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [0,2,0,0,0,0|1,0,0]=3 477 B10R1.28 CC(C)(c1ccccc1)O LS11531 [0,2,0,0,0,0|1,0,0]=3 478 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl LS40262 [0,2,0,0,0,0|2,0,0]=4 479 B10R1.28 c1ccc(cc1)S(=O)(=O)O LS10672 [0,2,0,0,0,0|1,0,1]=4 480 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] LS40553 [0,2,0,0,0,0|1,0,1]=4 481 B10R1.61 B(c1ccccc1Br)(O)O LS10792 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.61 B(c1ccccc1C)(O)O LS10802 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.61 B(c1ccccc1Cl)(O)O LS00151 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.61 B(c1ccccc1F)(O)O LS10797 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.61 B(c1ccccc1N)(O)O LS10787 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.61 B(c1ccccc1O)(O)O LS10799 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,2,0,0,0,0|1,0,0]=3 488 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.61 CN(C)c1ccccc1Br LS10558 [0,2,0,0,0,0|1,0,0]=3 491 B10R1.61 CN(C)c1ccccc1Cl LS10168 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.61 CN(C)c1ccccc1F LS10242 [0,2,0,0,0,0|1,0,0]=3 493 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [0,2,0,0,0,0|1,0,0]=3 494 B10R1.61 Cc1ccccc1C(=O)O LS10119 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.4 C=CCc1ccccc1O LS11683 [0,2,0,0,0,0|1,0,1]=4 503 B10R1.4 CCOc1ccccc1Br LS10370 [0,2,0,0,0,0|0,1,0]=3 504 B10R1.4 Cc1ccccc1CCO LS11237 [0,2,0,0,0,0|1,0,0]=3 505 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [0,2,0,0,0,0|1,0,0]=3 507 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [0,2,0,0,0,0|1,0,0]=3 508 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [0,2,0,0,0,0|1,0,0]=3 509 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [0,2,0,0,0,0|1,0,1]=4 511 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [0,2,0,0,0,0|1,0,1]=4 512 B10R1.17 c1ccc(cc1)C[Se]C#N LS11776 [0,2,0,0,0,0|0,1,1]=4 513 B10R1.17 c1ccc(cc1)NCCN LS10740 [0,2,0,0,0,0|1,0,0]=3 514 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,2,0,0,0,0|1,0,1]=4 517 B10R1.20 CCc1ccccc1C=O LS00084 [0,2,0,0,0,0|1,0,0]=3 518 B10R1.20 COc1c(cccn1)C=O LS21173 [0,2,0,0,0,0|1,1,0]=4 519 B10R1.20 COc1ccccc1CCl LS10029 [0,2,0,0,0,0|0,1,0]=3 520 B10R1.20 COc1ccccc1OC LS11385 [0,2,0,0,0,0|0,1,0]=3 521 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.20 c1ccc(c(c1)CBr)C#N LS10612 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.20 c1ccc(c(c1)CCl)C#N LS11849 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.20 c1ccc(c(c1)CCl)CCl LS10651 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.245 COc1c(cccc1Br)Br LS11344 [0,2,0,0,0,0|0,1,0]=3 526 B10R1.245 COc1c(cccc1Br)F LS11343 [0,2,0,0,0,0|0,1,0]=3 527 B10R1.245 COc1c(cccc1Cl)F LS10027 [0,2,0,0,0,0|0,1,0]=3 528 B10R1.245 COc1c(cccc1F)N LS10380 [0,2,0,0,0,0|0,1,0]=3 529 B10R1.245 COc1c(cccc1I)F LS10378 [0,2,0,0,0,0|0,1,0]=3 530 B10R1.245 Cc1cccc(c1C#N)F LS10263 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.245 Cc1cccc(c1CCl)C LS10100 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.245 c1cc(c(c(c1)Br)C#N)N LS10151 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.245 c1cc(c(c(c1)Br)C=O)F LS11299 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.245 c1cc(c(c(c1)Br)C=O)O LS11634 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.245 c1cc(c(c(c1)Br)CO)F LS11306 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl LS11439 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.245 c1cc(c(c(c1)Cl)C#N)N LS11438 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl LS11436 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.245 c1cc(c(c(c1)Cl)C=O)O LS11631 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl LS11221 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl LS11271 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.245 c1cc(c(c(c1)Cl)CO)F LS11277 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.245 c1cc(c(c(c1)F)C#N)F LS11440 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.245 c1cc(c(c(c1)F)C=O)O LS10645 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.245 c1cc(c(c(c1)F)CBr)F LS10251 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.245 c1cc(c(c(c1)F)CCl)F LS11266 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.245 c1cc(c(c(c1)F)CN)F LS11224 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.245 c1cc(c(c(c1)F)CO)F LS11272 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.245 c1cc(c(c(c1)I)C#N)Cl LS10439 [0,2,0,0,0,0|2,0,0]=4 550 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [0,1,0,1,0,0|2,0,0]=4 551 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [0,1,0,1,0,0|1,0,0]=3 552 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [0,1,0,1,0,0|1,0,0]=3 553 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [0,1,0,1,0,0|0,1,0]=3 554 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [0,1,0,1,0,0|0,0,1]=3 555 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [0,1,0,1,0,0|1,0,1]=4 556 B10R2.7 c1ccc2c(c1)nsn2 LS41252 [0,1,0,1,0,0|1,0,0]=3 557 B6R1.2 Cc1[nH]ccn1 LS20670 [1,0,0,0,1,0|2,0,0]=4 558 B6R1.2 Cc1c[nH]nc1 LS20097 [1,0,0,0,1,0|2,0,0]=4 559 B6R1.2 Cc1cc[nH]n1 LS20095 [1,0,0,0,1,0|2,0,0]=4 560 B6R1.2 Cc1cccs1 LS20640 [1,0,0,0,1,0|1,0,0]=3 561 B6R1.2 Cc1cnoc1 LS20829 [1,0,0,0,1,0|2,0,0]=4 562 B6R1.2 Cn1cccn1 LS20706 [1,0,0,0,1,0|2,0,0]=4 563 B6R1.2 Cn1ccnc1 LS20202 [1,0,0,0,1,0|2,0,0]=4 564 B6R1.2 c1cc(sc1)Br LS20644 [1,0,0,0,1,0|2,0,0]=4 565 B6R1.2 c1cc(sc1)Cl LS21132 [1,0,0,0,1,0|2,0,0]=4 566 B6R1.2 c1cc(sc1)S LS21100 [1,0,0,0,1,0|1,0,0]=3 567 B6R1.2 c1cocc1Br LS20289 [1,0,0,0,1,0|2,0,0]=4 568 B6R1.2 c1cscc1Br LS20645 [1,0,0,0,1,0|2,0,0]=4