0 B6R1.1 c1cc[nH+]cc1 LS00013 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.1 c1ccncc1 LS40760 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.1 c1cnccn1 LS20037 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.1 c1cncnc1 LS20614 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 c1c(cncn1)Br LS21249 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.3 c1c(cncn1)Cl LS20622 [0,1,0,0,0,0|2,0,0]=3 6 B7R1.3 c1c(cncn1)F LS20621 [0,1,0,0,0,0|2,0,0]=3 7 B7R1.3 c1cc(cnc1)Br LS20426 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 c1cc(cnc1)F LS20779 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.3 c1ccnc(c1)Br LS20874 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.3 c1ccnc(c1)F LS20778 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.3 c1ccnc(c1)N LS20582 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 c1cnc(cn1)Cl LS20940 [0,1,0,0,0,0|2,0,0]=3 14 B7R1.3 c1cnc(nc1)N LS20478 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.3 c1cnccc1F LS40545 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 c1cnccc1N LS20499 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.3 c1cnccc1O LS21099 [0,1,0,0,0,0|1,0,0]=2 18 B5R1.1 C1C=CCN1 LS20566 [0,0,0,0,1,0|1,0,2]=4 19 B5R1.1 c1c[nH]nc1 LS21032 [0,0,0,0,1,0|2,0,0]=3 20 B5R1.1 c1cnoc1 LS21145 [0,0,0,0,1,0|2,0,0]=3 21 B5R1.1 c1cnsc1 LS21251 [0,0,0,0,1,0|2,0,0]=3 22 B6R1.2 Cc1[nH]ccn1 LS20670 [0,1,0,0,1,0|2,0,0]=4 23 B6R1.2 Cc1c[nH]nc1 LS20097 [0,1,0,0,1,0|2,0,0]=4 24 B6R1.2 Cc1cc[nH]n1 LS20095 [0,1,0,0,1,0|2,0,0]=4 25 B6R1.2 Cc1cccs1 LS20640 [0,1,0,0,1,0|1,0,0]=3 26 B6R1.2 Cc1cnoc1 LS20829 [0,1,0,0,1,0|2,0,0]=4 27 B6R1.2 Cn1cccn1 LS20706 [0,1,0,0,1,0|2,0,0]=4 28 B6R1.2 Cn1ccnc1 LS20202 [0,1,0,0,1,0|2,0,0]=4 29 B6R1.2 c1c(nc[nH]1)Br LS20192 [0,1,0,0,1,0|2,0,0]=4 30 B6R1.2 c1c(ncs1)Cl LS21055 [0,1,0,0,1,0|2,0,0]=4 31 B6R1.2 c1c[nH]nc1N LS20237 [0,1,0,0,1,0|2,0,0]=4 32 B6R1.2 c1cc(sc1)Br LS20644 [0,1,0,0,1,0|1,0,0]=3 33 B6R1.2 c1cc(sc1)Cl LS21132 [0,1,0,0,1,0|1,0,0]=3 34 B6R1.2 c1cc(sc1)S LS21100 [0,1,0,0,1,0|1,0,0]=3 35 B6R1.2 c1cnsc1N LS20872 [0,1,0,0,1,0|2,0,0]=4 36 B6R1.2 c1coc(=O)o1 LS40378 [0,1,0,0,1,0|2,0,0]=4 37 B6R1.2 c1cocc1Br LS20289 [0,1,0,0,1,0|1,0,0]=3 38 B6R1.2 c1conc1N LS20282 [0,1,0,0,1,0|2,0,0]=4 39 B6R1.2 c1cscc1Br LS20645 [0,1,0,0,1,0|1,0,0]=3 40 B8R1.2 C#Cc1ccccc1 LS10701 [0,2,0,0,0,0|0,0,0]=2 41 B8R1.2 CNc1cccnc1 LS20470 [0,2,0,0,0,0|1,0,0]=3 42 B8R1.2 c1cc(cnc1)C=O LS20485 [0,2,0,0,0,0|1,0,0]=3 43 B8R1.2 c1ccc(cc1)C=O LS41490 [0,2,0,0,0,0|0,0,0]=2 44 B8R1.2 c1ccc(cc1)CO LS41488 [0,2,0,0,0,0|0,0,0]=2 45 B8R1.2 c1cnc(cn1)CN LS20127 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.2 c1cnc(cn1)CN LS20128 [0,2,0,0,0,0|2,0,0]=4 47 B8R1.2 c1cnccc1C=O LS20943 [0,2,0,0,0,0|1,0,0]=3 48 B8R1.2 c1cnccc1CN LS20857 [0,2,0,0,0,0|1,0,0]=3 49 B8R1.2 c1cnccc1NN LS20045 [0,2,0,0,0,0|1,0,0]=3 50 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [0,2,0,0,0,0|0,0,0]=2 51 B8R1.3 Cc1ccc(cc1)Cl LS11416 [0,2,0,0,0,0|0,0,0]=2 52 B8R1.3 Cc1ccc(cn1)Br LS20399 [0,2,0,0,0,0|1,0,0]=3 53 B8R1.3 Cc1ccc(nc1)Br LS20538 [0,2,0,0,0,0|1,0,0]=3 54 B8R1.3 Cc1ccc(nc1)Cl LS20543 [0,2,0,0,0,0|1,0,0]=3 55 B8R1.3 Cc1ccc(nn1)Cl LS21118 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.3 Cc1cnc(cn1)N LS20063 [0,2,0,0,0,0|2,0,0]=4 57 B8R1.3 c1c(cnc(n1)Br)Br LS20480 [0,2,0,0,0,0|2,0,0]=4 58 B8R1.3 c1c(cnc(n1)Cl)F LS20473 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.3 c1c(cnc(n1)Cl)N LS20481 [0,2,0,0,0,0|2,0,0]=4 60 B8R1.3 c1c(cnc(n1)F)Br LS21159 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.3 c1c(cnc(n1)N)Cl LS21227 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.3 c1c(cnc(n1)O)Br LS21235 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.3 c1c(ncc(n1)Br)N LS20288 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [0,2,0,0,0,0|1,0,0]=3 65 B8R1.3 c1cc(ccc1Br)I LS11203 [0,2,0,0,0,0|0,0,0]=2 66 B8R1.3 c1cc(ccc1F)F LS11211 [0,2,0,0,0,0|0,0,0]=2 67 B8R1.3 c1cc(ccc1N)Br LS11446 [0,2,0,0,0,0|0,0,0]=2 68 B8R1.3 c1cc(ccc1N)I LS11481 [0,2,0,0,0,0|0,0,0]=2 69 B8R1.3 c1cc(ccc1O)Br LS11445 [0,2,0,0,0,0|0,0,0]=2 70 B8R1.3 c1cc(ccc1O)F LS10647 [0,2,0,0,0,0|0,0,0]=2 71 B8R1.3 c1cc(ccc1O)I LS10366 [0,2,0,0,0,0|0,0,0]=2 72 B8R1.3 c1cc(ncc1Br)Br LS21029 [0,2,0,0,0,0|1,0,0]=3 73 B8R1.3 c1cc(ncc1Br)Cl LS20547 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.3 c1cc(ncc1Br)F LS20408 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.3 c1cc(ncc1Br)I LS20184 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.3 c1cc(ncc1Cl)Br LS20546 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.3 c1cc(ncc1Cl)Cl LS20534 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.3 c1cc(ncc1Cl)F LS20537 [0,2,0,0,0,0|1,0,0]=3 79 B8R1.3 c1cc(ncc1F)Br LS20585 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.3 c1cc(ncc1F)F LS20951 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.3 c1cc(ncc1F)N LS20484 [0,2,0,0,0,0|1,0,0]=3 82 B8R1.3 c1cc(ncc1F)O LS20722 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.3 c1cc(ncc1I)Cl LS20455 [0,2,0,0,0,0|1,0,0]=3 84 B8R1.3 c1cc(ncc1I)F LS20342 [0,2,0,0,0,0|1,0,0]=3 85 B8R1.3 c1cc(ncc1I)N LS20442 [0,2,0,0,0,0|1,0,0]=3 86 B8R1.3 c1cc(ncc1N)Cl LS20443 [0,2,0,0,0,0|1,0,0]=3 87 B8R1.3 c1cc(ncc1N)F LS20550 [0,2,0,0,0,0|1,0,0]=3 88 B8R1.3 c1cc(ncc1N)O LS20334 [0,2,0,0,0,0|1,0,0]=3 89 B8R1.3 c1cc(ncc1O)F LS20343 [0,2,0,0,0,0|1,0,0]=3 90 B8R1.3 c1cc(ncc1O)N LS20718 [0,2,0,0,0,0|1,0,0]=3 91 B8R1.3 c1cc(nnc1N)Br LS20114 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.3 c1cc(nnc1N)Cl LS20255 [0,2,0,0,0,0|2,0,0]=4 93 B8R1.4 Cc1cc(cnc1)Br LS20401 [0,2,0,0,0,0|1,0,0]=3 94 B8R1.4 Cc1cc(cnc1)C LS41253 [0,2,0,0,0,0|1,0,0]=3 95 B8R1.4 Cc1cc(ncn1)Cl LS20096 [0,2,0,0,0,0|2,0,0]=4 96 B8R1.4 Cc1cccc(n1)Br LS20561 [0,2,0,0,0,0|1,0,0]=3 97 B8R1.4 Cc1cccc(n1)Cl LS20527 [0,2,0,0,0,0|1,0,0]=3 98 B8R1.4 Cc1ccnc(c1)Br LS20539 [0,2,0,0,0,0|1,0,0]=3 99 B8R1.4 Cc1ccnc(c1)Cl LS20535 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.4 Cc1ccnc(c1)F LS20532 [0,2,0,0,0,0|1,0,0]=3 101 B8R1.4 Cc1ccnc(n1)Cl LS20314 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.4 Cc1ccnc(n1)O LS20077 [0,2,0,0,0,0|2,0,0]=4 103 B8R1.4 Cc1nccc(n1)Cl LS20043 [0,2,0,0,0,0|2,0,0]=4 104 B8R1.4 c1c(cncc1Br)Br LS20981 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.4 c1c(cncc1Br)N LS20949 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.4 c1c(cncc1Cl)Cl LS20213 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.4 c1c(cncc1F)O LS20013 [0,2,0,0,0,0|1,0,0]=3 108 B8R1.4 c1c(cnnc1Cl)Cl LS21226 [0,2,0,0,0,0|2,0,0]=4 109 B8R1.4 c1c(ncnc1Cl)Cl LS20313 [0,2,0,0,0,0|2,0,0]=4 110 B8R1.4 c1c(ncnc1Cl)N LS20309 [0,2,0,0,0,0|2,0,0]=4 111 B8R1.4 c1c[nH]c(=S)[nH]c1=O LS40673 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.4 c1cc(cc(c1)Br)N LS10546 [0,2,0,0,0,0|0,0,0]=2 113 B8R1.4 c1cc(cc(c1)F)F LS10472 [0,2,0,0,0,0|0,0,0]=2 114 B8R1.4 c1cc(cc(c1)F)O LS11397 [0,2,0,0,0,0|0,0,0]=2 115 B8R1.4 c1cc(cc(c1)I)Br LS11202 [0,2,0,0,0,0|0,0,0]=2 116 B8R1.4 c1cc(cc(c1)I)N LS10554 [0,2,0,0,0,0|0,0,0]=2 117 B8R1.4 c1cc(cc(c1)S)O LS11830 [0,2,0,0,0,0|0,0,0]=2 118 B8R1.4 c1cc(nc(c1)Br)Cl LS20266 [0,2,0,0,0,0|1,0,0]=3 119 B8R1.4 c1cc(nc(c1)Br)F LS20210 [0,2,0,0,0,0|1,0,0]=3 120 B8R1.4 c1cc(nc(c1)Br)N LS21036 [0,2,0,0,0,0|1,0,0]=3 121 B8R1.4 c1cc(nc(c1)Cl)N LS20252 [0,2,0,0,0,0|1,0,0]=3 122 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [0,2,0,0,0,0|1,0,0]=3 123 B8R1.4 c1cc(nc(c1)F)F LS20009 [0,2,0,0,0,0|1,0,0]=3 124 B8R1.4 c1cnc(cc1Br)Br LS20383 [0,2,0,0,0,0|1,0,0]=3 125 B8R1.4 c1cnc(cc1Br)Cl LS20559 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.4 c1cnc(cc1Br)F LS20514 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.4 c1cnc(cc1Br)N LS20124 [0,2,0,0,0,0|1,0,0]=3 128 B8R1.4 c1cnc(cc1Br)O LS20336 [0,2,0,0,0,0|1,0,0]=3 129 B8R1.4 c1cnc(cc1Cl)Cl LS21157 [0,2,0,0,0,0|1,0,0]=3 130 B8R1.4 c1cnc(cc1Cl)N LS20373 [0,2,0,0,0,0|1,0,0]=3 131 B8R1.4 c1cnc(cc1F)Cl LS20357 [0,2,0,0,0,0|1,0,0]=3 132 B8R1.4 c1cnc(cc1I)Br LS20183 [0,2,0,0,0,0|1,0,0]=3 133 B8R1.4 c1cnc(cc1I)Cl LS20424 [0,2,0,0,0,0|1,0,0]=3 134 B8R1.4 c1cnc(cc1I)F LS20204 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.4 c1cnc(cc1N)Br LS20188 [0,2,0,0,0,0|1,0,0]=3 136 B8R1.4 c1cnc(cc1N)Cl LS20509 [0,2,0,0,0,0|1,0,0]=3 137 B8R1.4 c1cnc(cc1O)Cl LS20425 [0,2,0,0,0,0|1,0,0]=3 138 B8R1.4 c1cnc(cc1O)N LS20319 [0,2,0,0,0,0|1,0,0]=3 139 B8R1.4 c1cnc(nc1Cl)Cl LS20619 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.5 Cc1c(cccn1)Br LS20529 [0,2,0,0,0,0|1,0,0]=3 141 B8R1.5 Cc1c(cccn1)F LS00100 [0,2,0,0,0,0|1,0,0]=3 142 B8R1.5 Cc1c(cccn1)O LS20321 [0,2,0,0,0,0|1,0,0]=3 143 B8R1.5 Cc1c(cncn1)Br LS20023 [0,2,0,0,0,0|2,0,0]=4 144 B8R1.5 Cc1c(cncn1)Cl LS21219 [0,2,0,0,0,0|2,0,0]=4 145 B8R1.5 Cc1c(nccn1)Cl LS20451 [0,2,0,0,0,0|2,0,0]=4 146 B8R1.5 Cc1ccccc1Cl LS11417 [0,2,0,0,0,0|0,0,0]=2 147 B8R1.5 Cc1cccnc1Br LS20246 [0,2,0,0,0,0|1,0,0]=3 148 B8R1.5 Cc1cccnc1F LS20403 [0,2,0,0,0,0|1,0,0]=3 149 B8R1.5 Cc1cccnc1N LS20579 [0,2,0,0,0,0|1,0,0]=3 150 B8R1.5 Cc1cccnc1O LS20286 [0,2,0,0,0,0|1,0,0]=3 151 B8R1.5 Cc1ccncc1Br LS20222 [0,2,0,0,0,0|1,0,0]=3 152 B8R1.5 Cc1ccncc1F LS20260 [0,2,0,0,0,0|1,0,0]=3 153 B8R1.5 Cc1ccncc1N LS20500 [0,2,0,0,0,0|1,0,0]=3 154 B8R1.5 Cc1cnccc1Br LS20316 [0,2,0,0,0,0|1,0,0]=3 155 B8R1.5 Cc1cnccc1Cl LS20243 [0,2,0,0,0,0|1,0,0]=3 156 B8R1.5 Cc1cncnc1Cl LS20953 [0,2,0,0,0,0|2,0,0]=4 157 B8R1.5 Cn1ccccc1=O LS40391 [0,2,0,0,0,0|1,0,0]=3 158 B8R1.5 c1c(c(ncn1)Br)F LS21214 [0,2,0,0,0,0|2,0,0]=4 159 B8R1.5 c1c(c(ncn1)Br)N LS21199 [0,2,0,0,0,0|2,0,0]=4 160 B8R1.5 c1c(c(ncn1)Cl)F LS20617 [0,2,0,0,0,0|2,0,0]=4 161 B8R1.5 c1cc(c(nc1)Br)Br LS20191 [0,2,0,0,0,0|1,0,0]=3 162 B8R1.5 c1cc(c(nc1)Br)F LS20948 [0,2,0,0,0,0|1,0,0]=3 163 B8R1.5 c1cc(c(nc1)Br)N LS20186 [0,2,0,0,0,0|1,0,0]=3 164 B8R1.5 c1cc(c(nc1)Cl)Cl LS20542 [0,2,0,0,0,0|1,0,0]=3 165 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [0,2,0,0,0,0|1,0,0]=3 166 B8R1.5 c1cc(c(nc1)Cl)I LS20536 [0,2,0,0,0,0|1,0,0]=3 167 B8R1.5 c1cc(c(nc1)F)Br LS20414 [0,2,0,0,0,0|1,0,0]=3 168 B8R1.5 c1cc(c(nc1)F)F LS20846 [0,2,0,0,0,0|1,0,0]=3 169 B8R1.5 c1cc(c(nc1)I)N LS20187 [0,2,0,0,0,0|1,0,0]=3 170 B8R1.5 c1cc(c(nc1)N)Br LS20925 [0,2,0,0,0,0|1,0,0]=3 171 B8R1.5 c1cc(c(nc1)N)F LS20418 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.5 c1cc(c(nc1)N)N LS20494 [0,2,0,0,0,0|1,0,0]=3 173 B8R1.5 c1cc[n+](c(c1)Cl)[O-] LS21129 [0,2,0,0,0,0|1,0,0]=3 174 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [0,2,0,0,0,0|0,0,0]=2 175 B8R1.5 c1ccc(c(c1)Br)I LS10473 [0,2,0,0,0,0|0,0,0]=2 176 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [0,2,0,0,0,0|0,0,0]=2 177 B8R1.5 c1ccc(c(c1)N)Br LS11448 [0,2,0,0,0,0|0,0,0]=2 178 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [0,2,0,0,0,0|0,0,0]=2 179 B8R1.5 c1ccc(c(c1)N)I LS10537 [0,2,0,0,0,0|0,0,0]=2 180 B8R1.5 c1ccc(c(c1)O)Br LS11447 [0,2,0,0,0,0|0,0,0]=2 181 B8R1.5 c1ccc(c(c1)O)F LS10471 [0,2,0,0,0,0|0,0,0]=2 182 B8R1.5 c1ccc(c(c1)O)I LS00004 [0,2,0,0,0,0|0,0,0]=2 183 B8R1.5 c1ccn(c(=O)c1)O LS21131 [0,2,0,0,0,0|1,0,0]=3 184 B8R1.5 c1cnc(c(n1)N)Cl LS21181 [0,2,0,0,0,0|2,0,0]=4 185 B8R1.5 c1cncc(c1Br)Cl LS20493 [0,2,0,0,0,0|1,0,0]=3 186 B8R1.5 c1cncc(c1Cl)Cl LS20322 [0,2,0,0,0,0|1,0,0]=3 187 B8R1.5 c1cncc(c1N)F LS20317 [0,2,0,0,0,0|1,0,0]=3 188 B8R1.5 c1cncc(c1N)N LS00018 [0,2,0,0,0,0|1,0,0]=3 189 B8R1.49 C1\C=C/CC\C=C/C1 LS41132 [0,0,0,0,0,2|0,0,2]=4