0 B7R1.3 c1c(cncn1)Br LS21249 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.3 c1c(cncn1)Cl LS20622 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.3 c1c(cncn1)F LS20621 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.3 c1cc(cnc1)Br LS20426 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 c1cc(cnc1)F LS20779 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 c1ccnc(c1)Br LS20874 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 c1ccnc(c1)F LS20778 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 c1ccnc(c1)N LS20582 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 c1cnc(cn1)Cl LS20940 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.3 c1cnc(nc1)N LS20478 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 c1cnccc1F LS40545 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.3 c1cnccc1N LS20499 [0,0,0,0,0,0|0,0,0]=0 13 B7R1.3 c1cnccc1O LS21099 [0,0,0,0,0,0|1,0,0]=1 14 B6R1.1 c1cc[nH+]cc1 LS00013 [1,0,0,0,0,0|0,0,1]=2 15 B6R1.1 c1ccncc1 LS40760 [1,0,0,0,0,0|0,0,0]=1 16 B6R1.1 c1cnccn1 LS20037 [1,0,0,0,0,0|1,0,0]=2 17 B6R1.1 c1cncnc1 LS20614 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.2 C#Cc1ccccc1 LS10701 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.2 CNc1cccnc1 LS20470 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.2 c1cc(cnc1)C=O LS20485 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.2 c1ccc(cc1)C=O LS41490 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.2 c1ccc(cc1)CO LS41488 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.2 c1cnc(cn1)CN LS20127 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.2 c1cnc(cn1)CN LS20128 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.2 c1cnccc1C=O LS20943 [0,1,0,0,0,0|1,0,0]=2 26 B8R1.2 c1cnccc1CN LS20857 [0,1,0,0,0,0|0,0,0]=1 27 B8R1.2 c1cnccc1NN LS20045 [0,1,0,0,0,0|0,0,0]=1 28 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.3 Cc1ccc(cc1)Cl LS11416 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.3 Cc1ccc(cn1)Br LS20399 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.3 Cc1ccc(nc1)Br LS20538 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.3 Cc1ccc(nc1)Cl LS20543 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.3 Cc1cnc(cn1)N LS20063 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.3 c1c(cnc(n1)Cl)N LS20481 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.3 c1c(cnc(n1)N)Cl LS21227 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.3 c1c(ncc(n1)Br)N LS20288 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.3 c1cc(ccc1Br)I LS11203 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.3 c1cc(ccc1F)F LS11211 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.3 c1cc(ccc1N)Br LS11446 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.3 c1cc(ccc1N)I LS11481 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.3 c1cc(ccc1O)Br LS11445 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.3 c1cc(ccc1O)F LS10647 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.3 c1cc(ccc1O)I LS10366 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.3 c1cc(ncc1Br)Br LS21029 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.3 c1cc(ncc1Br)Cl LS20547 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.3 c1cc(ncc1Br)F LS20408 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.3 c1cc(ncc1Br)I LS20184 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.3 c1cc(ncc1Cl)Br LS20546 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.3 c1cc(ncc1Cl)Cl LS20534 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.3 c1cc(ncc1Cl)F LS20537 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.3 c1cc(ncc1F)Br LS20585 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.3 c1cc(ncc1F)F LS20951 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.3 c1cc(ncc1F)N LS20484 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.3 c1cc(ncc1F)O LS20722 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.3 c1cc(ncc1I)Cl LS20455 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.3 c1cc(ncc1I)F LS20342 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.3 c1cc(ncc1I)N LS20442 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.3 c1cc(ncc1N)Cl LS20443 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.3 c1cc(ncc1N)F LS20550 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.3 c1cc(ncc1N)O LS20334 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.3 c1cc(ncc1O)F LS20343 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.3 c1cc(ncc1O)N LS20718 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.3 c1cc(nnc1N)Br LS20114 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.3 c1cc(nnc1N)Cl LS20255 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.4 Cc1cc(cnc1)Br LS20401 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.4 Cc1cc(cnc1)C LS41253 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.4 Cc1cc(ncn1)Cl LS20096 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.4 Cc1cccc(n1)Br LS20561 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.4 Cc1cccc(n1)Cl LS20527 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.4 Cc1ccnc(c1)Br LS20539 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.4 Cc1ccnc(c1)Cl LS20535 [0,1,0,0,0,0|1,0,0]=2 73 B8R1.4 Cc1ccnc(c1)F LS20532 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.4 Cc1ccnc(n1)Cl LS20314 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.4 Cc1ccnc(n1)O LS20077 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.4 Cc1nccc(n1)Cl LS20043 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.4 c1c(cncc1Br)Br LS20981 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.4 c1c(cncc1Br)N LS20949 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.4 c1c(cncc1Cl)Cl LS20213 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.4 c1c(cncc1F)O LS20013 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.4 c1c(cnnc1Cl)Cl LS21226 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.4 c1c(ncnc1Cl)Cl LS20313 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.4 c1c(ncnc1Cl)N LS20309 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.4 c1c[nH]c(=S)[nH]c1=O LS40673 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.4 c1cc(cc(c1)Br)N LS10546 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.4 c1cc(cc(c1)F)F LS10472 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.4 c1cc(cc(c1)F)O LS11397 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.4 c1cc(cc(c1)I)Br LS11202 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.4 c1cc(cc(c1)I)N LS10554 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.4 c1cc(cc(c1)S)O LS11830 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.4 c1cc(nc(c1)Br)Cl LS20266 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.4 c1cc(nc(c1)Br)F LS20210 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.4 c1cc(nc(c1)Br)N LS21036 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.4 c1cc(nc(c1)Cl)N LS20252 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.4 c1cc(nc(c1)F)F LS20009 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.4 c1cnc(cc1Br)Br LS20383 [0,1,0,0,0,0|1,0,0]=2 98 B8R1.4 c1cnc(cc1Br)Cl LS20559 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.4 c1cnc(cc1Br)F LS20514 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.4 c1cnc(cc1Br)N LS20124 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.4 c1cnc(cc1Br)O LS20336 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.4 c1cnc(cc1Cl)Cl LS21157 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.4 c1cnc(cc1Cl)N LS20373 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.4 c1cnc(cc1F)Cl LS20357 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.4 c1cnc(cc1I)Br LS20183 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.4 c1cnc(cc1I)Cl LS20424 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.4 c1cnc(cc1I)F LS20204 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.4 c1cnc(cc1N)Br LS20188 [0,1,0,0,0,0|0,0,0]=1 109 B8R1.4 c1cnc(cc1N)Cl LS20509 [0,1,0,0,0,0|0,0,0]=1 110 B8R1.4 c1cnc(cc1O)Cl LS20425 [0,1,0,0,0,0|1,0,0]=2 111 B8R1.4 c1cnc(cc1O)N LS20319 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.4 c1cnc(nc1Cl)Cl LS20619 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.5 Cc1c(cccn1)Br LS20529 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.5 Cc1c(cccn1)F LS00100 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.5 Cc1c(cccn1)O LS20321 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.5 Cc1c(cncn1)Br LS20023 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.5 Cc1c(cncn1)Cl LS21219 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.5 Cc1ccccc1Cl LS11417 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.5 Cc1cccnc1Br LS20246 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.5 Cc1cccnc1F LS20403 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.5 Cc1cccnc1N LS20579 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.5 Cc1cccnc1O LS20286 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.5 Cc1ccncc1Br LS20222 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.5 Cc1ccncc1F LS20260 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.5 Cc1ccncc1N LS20500 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.5 Cc1cnccc1Br LS20316 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.5 Cc1cnccc1Cl LS20243 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.5 Cc1cncnc1Cl LS20953 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.5 Cn1ccccc1=O LS40391 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.5 c1c(c(ncn1)Br)F LS21214 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.5 c1c(c(ncn1)Br)N LS21199 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.5 c1c(c(ncn1)Cl)F LS20617 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.5 c1cc(c(nc1)Br)Br LS20191 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.5 c1cc(c(nc1)Br)F LS20948 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.5 c1cc(c(nc1)Br)N LS20186 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.5 c1cc(c(nc1)Cl)Cl LS20542 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.5 c1cc(c(nc1)Cl)I LS20536 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.5 c1cc(c(nc1)F)Br LS20414 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.5 c1cc(c(nc1)F)F LS20846 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.5 c1cc(c(nc1)I)N LS20187 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.5 c1cc(c(nc1)N)Br LS20925 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.5 c1cc(c(nc1)N)F LS20418 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.5 c1cc(c(nc1)N)N LS20494 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.5 c1cc[n+](c(c1)Cl)[O-] LS21129 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.5 c1ccc(c(c1)Br)I LS10473 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.5 c1ccc(c(c1)N)Br LS11448 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.5 c1ccc(c(c1)N)I LS10537 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.5 c1ccc(c(c1)O)Br LS11447 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.5 c1ccc(c(c1)O)F LS10471 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.5 c1ccc(c(c1)O)I LS00004 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.5 c1ccn(c(=O)c1)O LS21131 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.5 c1cnc(c(n1)N)Cl LS21181 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.5 c1cncc(c1Br)Cl LS20493 [0,1,0,0,0,0|1,0,0]=2 158 B8R1.5 c1cncc(c1Cl)Cl LS20322 [0,1,0,0,0,0|1,0,0]=2 159 B8R1.5 c1cncc(c1N)F LS20317 [0,1,0,0,0,0|0,0,0]=1 160 B8R1.5 c1cncc(c1N)N LS00018 [0,1,0,0,0,0|0,0,0]=1 161 B6R1.2 Cc1[nH]ccn1 LS20670 [0,0,0,0,1,0|3,0,0]=4 162 B6R1.2 Cc1c[nH]nc1 LS20097 [0,0,0,0,1,0|2,0,0]=3 163 B6R1.2 Cc1cc[nH]n1 LS20095 [0,0,0,0,1,0|2,0,1]=4 164 B6R1.2 Cc1cccs1 LS20640 [0,0,0,0,1,0|2,0,0]=3 165 B6R1.2 Cc1cnoc1 LS20829 [0,0,0,0,1,0|2,0,0]=3 166 B6R1.2 Cn1cccn1 LS20706 [0,0,0,0,1,0|3,0,0]=4 167 B6R1.2 Cn1ccnc1 LS20202 [0,0,0,0,1,0|2,0,0]=3 168 B6R1.2 Cn1cnnc1 LS20844 [0,0,0,0,1,0|3,0,0]=4 169 B6R1.2 c1c(nc[nH]1)Br LS20192 [0,0,0,0,1,0|2,0,1]=4 170 B6R1.2 c1c(ncs1)Cl LS21055 [0,0,0,0,1,0|3,0,0]=4 171 B6R1.2 c1c(snn1)N LS20079 [0,0,0,0,1,0|2,0,0]=3 172 B6R1.2 c1c[nH]nc1N LS20237 [0,0,0,0,1,0|1,0,1]=3 173 B6R1.2 c1cc(sc1)Br LS20644 [0,0,0,0,1,0|2,0,0]=3 174 B6R1.2 c1cc(sc1)Cl LS21132 [0,0,0,0,1,0|2,0,0]=3 175 B6R1.2 c1cc(sc1)S LS21100 [0,0,0,0,1,0|2,0,0]=3 176 B6R1.2 c1cnsc1N LS20872 [0,0,0,0,1,0|1,0,0]=2 177 B6R1.2 c1coc(=O)o1 LS40378 [0,0,0,0,1,0|3,0,0]=4 178 B6R1.2 c1cocc1Br LS20289 [0,0,0,0,1,0|2,0,0]=3 179 B6R1.2 c1conc1N LS20282 [0,0,0,0,1,0|2,0,0]=3 180 B6R1.2 c1cscc1Br LS20645 [0,0,0,0,1,0|2,0,0]=3 181 B6R1.2 c1nc([nH]n1)Br LS20203 [0,0,0,0,1,0|3,0,0]=4 182 B6R1.2 c1nc(sn1)N LS20176 [0,0,0,0,1,0|2,0,0]=3 183 B6R1.2 c1nnc(s1)Br LS21095 [0,0,0,0,1,0|3,0,0]=4 184 B6R1.2 c1nncn1N LS40427 [0,0,0,0,1,0|2,0,0]=3 185 B7R1.1 C=Cn1ccnc1 LS21038 [0,1,0,0,1,0|2,0,0]=4 186 B7R1.1 c1c(ncs1)CN LS21063 [0,1,0,0,1,0|2,0,0]=4 187 B7R1.1 c1cc([nH]c1)C=O LS00119 [0,1,0,0,1,0|2,0,0]=4 188 B7R1.1 c1cc(sc1)C=O LS40350 [0,1,0,0,1,0|2,0,0]=4 189 B7R1.1 c1cc(sc1)CO LS20642 [0,1,0,0,1,0|2,0,0]=4 190 B7R1.1 c1cn(cn1)CO LS20270 [0,1,0,0,1,0|2,0,0]=4 191 B7R1.1 c1csc(n1)CN LS21076 [0,1,0,0,1,0|2,0,0]=4 192 B7R1.1 c1cscc1C=O LS20646 [0,1,0,0,1,0|2,0,0]=4 193 B7R1.2 Cc1cc(cs1)Br LS20656 [0,1,0,0,1,0|2,0,0]=4 194 B7R1.2 Cc1cc(no1)N LS21146 [0,1,0,0,1,0|2,0,0]=4 195 B7R1.2 Cc1ccc(s1)Br LS20655 [0,1,0,0,1,0|2,0,0]=4 196 B7R1.2 Cc1ccc(s1)C LS20641 [0,1,0,0,1,0|2,0,0]=4 197 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,1,0,0,1,0|2,0,0]=4 198 B7R1.2 Cc1cnc(s1)N LS20937 [0,1,0,0,1,0|2,0,0]=4 199 B7R1.2 Cn1ccc(n1)N LS20251 [0,1,0,0,1,0|1,0,1]=4 200 B7R1.2 c1(nnc(s1)Br)N LS21074 [0,1,0,0,1,0|2,0,0]=4 201 B7R1.2 c1(nnc(s1)N)N LS21073 [0,1,0,0,1,0|2,0,0]=4 202 B7R1.2 c1(nnc(s1)S)N LS20091 [0,1,0,0,1,0|2,0,0]=4 203 B7R1.2 c1c(n[nH]c1O)N LS20240 [0,1,0,0,1,0|1,0,1]=4 204 B7R1.2 c1c(nc(s1)Br)N LS21089 [0,1,0,0,1,0|2,0,0]=4 205 B7R1.2 c1c(sc(n1)Br)Br LS21079 [0,1,0,0,1,0|2,0,0]=4 206 B7R1.2 c1c(sc(n1)Br)N LS21068 [0,1,0,0,1,0|1,0,0]=3 207 B7R1.2 c1c(sc(n1)N)Br LS21053 [0,1,0,0,1,0|2,0,0]=4 208 B7R1.2 c1cc(sc1Br)Br LS20657 [0,1,0,0,1,0|2,0,0]=4 209 B7R1.4 Cc1c(nc[nH]1)C LS20271 [0,1,0,0,1,0|2,0,0]=4 210 B7R1.4 Cc1ccsc1Br LS20654 [0,1,0,0,1,0|2,0,0]=4 211 B7R1.4 Cc1ccsc1Cl LS20652 [0,1,0,0,1,0|2,0,0]=4 212 B7R1.4 Cn1c(ccn1)N LS20177 [0,1,0,0,1,0|1,0,0]=3 213 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [0,2,0,0,0,0|2,0,0]=4 214 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [0,2,0,0,0,0|2,0,0]=4 215 B9R1.1 CCc1ccc(cc1)F LS11765 [0,2,0,0,0,0|2,0,0]=4 216 B9R1.1 COc1ccc(cc1)O LS10474 [0,2,0,0,0,0|2,0,0]=4 217 B9R1.1 COc1ccc(cc1)S LS11831 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.1 COc1ccc(cn1)N LS20615 [0,2,0,0,0,0|2,0,0]=4 219 B9R1.1 Cc1ccc(cc1)C#C LS10578 [0,2,0,0,0,0|2,0,0]=4 220 B9R1.1 Cc1ccc(cc1)CBr LS11264 [0,2,0,0,0,0|2,0,0]=4 221 B9R1.1 Cc1ccc(cc1)CN LS11220 [0,2,0,0,0,0|1,0,0]=3 222 B9R1.1 Cc1ccc(cc1)CO LS11273 [0,2,0,0,0,0|2,0,0]=4 223 B9R1.1 c1cc(ccc1C#N)Br LS11574 [0,2,0,0,0,0|1,0,1]=4 224 B9R1.1 c1cc(ccc1C#N)F LS10440 [0,2,0,0,0,0|1,0,1]=4 225 B9R1.1 c1cc(ccc1C#N)N LS10115 [0,2,0,0,0,0|1,0,0]=3 226 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [0,2,0,0,0,0|2,0,0]=4 227 B9R1.1 c1cc(ccc1CBr)Br LS11427 [0,2,0,0,0,0|2,0,0]=4 228 B9R1.1 c1cc(ccc1CBr)F LS10228 [0,2,0,0,0,0|2,0,0]=4 229 B9R1.1 c1cc(ccc1CBr)I LS11269 [0,2,0,0,0,0|2,0,0]=4 230 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.1 c1cc(ccc1CO)I LS11275 [0,2,0,0,0,0|2,0,0]=4 232 B9R1.1 c1cc(ccc1CO)N LS10779 [0,2,0,0,0,0|1,0,0]=3 233 B9R1.1 c1cc(ccc1NN)F LS10358 [0,2,0,0,0,0|1,0,0]=3 234 B9R1.1 c1cc(ncc1Br)NN LS20208 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.1 c1cc(ncc1CO)N LS40930 [0,2,0,0,0,0|2,0,0]=4 236 B9R1.2 C#Cc1cccc(c1)N LS10320 [0,2,0,0,0,0|1,0,0]=3 237 B9R1.2 C=Cc1cccc(c1)Br LS11651 [0,2,0,0,0,0|2,0,0]=4 238 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.2 C=Cc1cccc(c1)F LS11648 [0,2,0,0,0,0|2,0,0]=4 240 B9R1.2 CNc1cccc(c1)Cl LS10187 [0,2,0,0,0,0|1,0,0]=3 241 B9R1.2 COc1cc(ccn1)Br LS21151 [0,2,0,0,0,0|1,0,0]=3 242 B9R1.2 COc1cc(ccn1)Cl LS20320 [0,2,0,0,0,0|1,0,0]=3 243 B9R1.2 COc1cc(ccn1)N LS20329 [0,2,0,0,0,0|0,0,0]=2 244 B9R1.2 COc1cc(nnc1)Cl LS21025 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.2 COc1cccc(n1)N LS20232 [0,2,0,0,0,0|2,0,0]=4 246 B9R1.2 Cc1cccc(c1)C=O LS11853 [0,2,0,0,0,0|2,0,0]=4 247 B9R1.2 Cc1cccc(c1)CBr LS11263 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.2 Cc1cccc(c1)CCl LS11215 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.2 Cc1cccc(c1)CN LS11219 [0,2,0,0,0,0|1,0,0]=3 250 B9R1.2 c1c(ncnc1O)NN LS20113 [0,2,0,0,0,0|1,0,0]=3 251 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [0,2,0,0,0,0|1,0,0]=3 252 B9R1.2 c1cc(cc(c1)F)CO LS11387 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [0,2,0,0,0,0|2,0,0]=4 256 B9R1.2 c1cc(nc(c1)Cl)NN LS20226 [0,2,0,0,0,0|2,0,0]=4 257 B9R1.2 c1cnc(cc1C#N)Cl LS20845 [0,2,0,0,0,0|0,0,1]=3 258 B9R1.2 c1cnc(cc1C#N)N LS20631 [0,2,0,0,0,0|0,0,1]=3 259 B9R1.2 c1cnc(cc1CO)N LS21015 [0,2,0,0,0,0|1,0,0]=3 260 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,2,0,0,0,0|2,0,0]=4 261 B9R1.6 B(c1ccncc1)(O)O LS20393 [0,2,0,0,0,0|1,0,0]=3 262 B9R1.6 B(c1ccncn1)(O)O LS11623 [0,2,0,0,0,0|2,0,0]=4 263 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,2,0,0,0,0|1,0,0]=3 264 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,2,0,0,0,0|1,0,0]=3 265 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,2,0,0,0,0|1,0,0]=3 267 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,2,0,0,0,0|1,0,0]=3 269 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [0,2,0,0,0,0|2,0,0]=4 270 B9R1.6 c1cncnc1C(=O)O LS20389 [0,2,0,0,0,0|2,0,0]=4 271 B9R1.8 CNNc1ccccc1 LS10173 [0,2,0,0,0,0|1,0,0]=3 272 B9R1.8 c1ccc(cc1)CCN LS10634 [0,2,0,0,0,0|1,0,0]=3 273 B9R1.8 c1ccc(cc1)CCN LS10635 [0,2,0,0,0,0|1,0,0]=3 274 B9R1.8 c1ccc(cc1)CNO LS11836 [0,2,0,0,0,0|1,0,0]=3 275 B9R1.8 c1ccc(cc1)CNO LS40338 [0,2,0,0,0,0|1,0,0]=3 276 B9R1.8 c1ccc(cc1)CON LS40003 [0,2,0,0,0,0|1,0,0]=3 277 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [0,2,0,0,0,0|1,0,1]=4 278 B9R1.8 c1cnccc1CCN LS21103 [0,2,0,0,0,0|0,0,0]=2 279 B9R1.15 C=Cc1ccccc1Br LS11653 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.15 C=Cc1ccccc1Cl LS11654 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.15 C=Cc1ccccc1F LS11647 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.15 CCc1c(cncn1)F LS20618 [0,2,0,0,0,0|2,0,0]=4 283 B9R1.15 CNc1ccccc1Br LS11478 [0,2,0,0,0,0|1,0,0]=3 284 B9R1.15 CNc1ccccc1F LS10646 [0,2,0,0,0,0|1,0,0]=3 285 B9R1.15 COc1cncnc1N LS20720 [0,2,0,0,0,0|1,0,0]=3 286 B9R1.15 CSc1ccccc1Br LS11369 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.15 Cc1ccccc1C#C LS11393 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.15 Cc1ccccc1C=O LS11852 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.15 Cc1ccccc1CBr LS11262 [0,2,0,0,0,0|2,0,0]=4 290 B9R1.15 Cc1ccccc1CN LS11218 [0,2,0,0,0,0|1,0,0]=3 291 B9R1.15 Cc1ccccc1CO LS11274 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.15 Cc1ccncc1C#N LS20001 [0,2,0,0,0,0|1,0,0]=3 293 B9R1.15 c1c(c(ncn1)Cl)C#N LS20521 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.15 c1cc(c(nc1)N)C#N LS20375 [0,2,0,0,0,0|2,0,0]=4 295 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.15 c1cc(c(nc1)N)CO LS41435 [0,2,0,0,0,0|2,0,0]=4 297 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [0,2,0,0,0,0|1,0,1]=4 298 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [0,2,0,0,0,0|1,0,1]=4 299 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [0,2,0,0,0,0|1,0,0]=3 300 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [0,2,0,0,0,0|2,0,0]=4 301 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [0,2,0,0,0,0|1,0,0]=3 303 B9R1.15 c1ccc(c(c1)CO)F LS11270 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.15 c1ccc(c(c1)CO)I LS11276 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.15 c1ccc(c(c1)CO)N LS10594 [0,2,0,0,0,0|1,0,0]=3 306 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [0,2,0,0,0,0|1,0,0]=3 307 B9R1.15 c1ccc(c(c1)NN)F LS11539 [0,2,0,0,0,0|1,0,0]=3 308 B9R1.15 c1cncc(c1Br)C#N LS20628 [0,2,0,0,0,0|1,0,0]=3 309 B9R1.15 c1cncc(c1C=O)Br LS20109 [0,2,0,0,0,0|1,0,0]=3 310 B9R1.69 Cc1c(ccc(n1)Br)N LS20743 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.69 Cc1c(ccc(n1)Cl)N LS20510 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.69 Cc1c(ccc(n1)N)Br LS20737 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.69 Cc1c(ccc(n1)N)F LS20851 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.69 Cc1cc(c(=O)[nH]c1)N LS20003 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.69 Cc1cc(c(nc1)Br)N LS20369 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.69 Cc1cc(c(nc1)Cl)N LS20551 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.69 Cc1cc(c(nc1)N)Br LS20448 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.69 Cc1cc(ccc1Br)F LS10433 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.69 Cc1cc(ccc1Br)O LS10569 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.69 Cc1cc(ccc1F)N LS10454 [0,2,0,0,0,0|1,0,0]=3 322 B9R1.69 Cc1cc(ccc1O)Br LS10229 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.69 Cc1cc(cnc1F)N LS20741 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.69 Cc1cc(cnc1N)Br LS20513 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.69 Cc1cc(ncc1Br)F LS20411 [0,2,0,0,0,0|1,0,0]=3 327 B9R1.69 Cc1cc(ncc1Br)N LS20447 [0,2,0,0,0,0|1,0,0]=3 328 B9R1.69 Cc1cc(ncc1Cl)N LS20372 [0,2,0,0,0,0|1,0,0]=3 329 B9R1.69 Cc1cc(ncc1N)Br LS20366 [0,2,0,0,0,0|1,0,0]=3 330 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [0,2,0,0,0,0|2,0,0]=4 331 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [0,2,0,0,0,0|2,0,0]=4 332 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [0,2,0,0,0,0|2,0,0]=4 333 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [0,2,0,0,0,0|2,0,0]=4 334 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [0,2,0,0,0,0|1,0,0]=3 336 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.69 Cc1ccc(c(n1)Cl)N LS20511 [0,2,0,0,0,0|2,0,0]=4 339 B9R1.69 Cc1ccc(c(n1)N)Br LS20734 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.69 Cc1ccc(c(n1)N)I LS21037 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.69 Cc1ccc(cc1Br)Br LS10325 [0,2,0,0,0,0|2,0,0]=4 342 B9R1.69 Cc1ccc(cc1Br)F LS10434 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.69 Cc1ccc(cc1Cl)F LS10431 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.69 Cc1ccc(cc1F)N LS10457 [0,2,0,0,0,0|1,0,0]=3 345 B9R1.69 Cc1ccc(cc1N)Br LS10331 [0,2,0,0,0,0|1,0,0]=3 346 B9R1.69 Cc1ccc(cc1N)F LS10455 [0,2,0,0,0,0|1,0,0]=3 347 B9R1.69 Cc1cnc(cc1Cl)Cl LS21148 [0,2,0,0,0,0|1,0,0]=3 348 B9R1.69 Cc1cnc(cc1I)F LS20495 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.69 Cc1cnc(nc1Cl)Cl LS20390 [0,2,0,0,0,0|2,0,0]=4 350 B9R1.69 c1c(c([nH]c(=O)n1)N)Br LS40593 [0,2,0,0,0,0|1,0,0]=3 351 B9R1.69 c1c(c([nH]c(=O)n1)N)F LS40595 [0,2,0,0,0,0|1,0,0]=3 352 B9R1.69 c1c(c(cnc1Cl)F)I LS20356 [0,2,0,0,0,0|1,0,0]=3 353 B9R1.69 c1c(c(cnc1F)Cl)I LS20084 [0,2,0,0,0,0|1,0,0]=3 354 B9R1.69 c1c(c(nc(n1)Cl)Cl)Br LS20402 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.69 c1c(c(nc(n1)Cl)Cl)Cl LS00048 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.69 c1c(c(nc(n1)Cl)Cl)F LS00047 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.69 c1c(c(nc(n1)Cl)N)F LS20616 [0,2,0,0,0,0|1,0,0]=3 358 B9R1.69 c1c(c(nc(n1)Cl)O)F LS20170 [0,2,0,0,0,0|2,0,0]=4 359 B9R1.69 c1c(c(nnc1Cl)N)Br LS20520 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.69 c1c(cnc(c1Br)Cl)N LS20556 [0,2,0,0,0,0|2,0,0]=4 361 B9R1.69 c1c(cnc(c1Br)F)N LS20350 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.69 c1c(cnc(c1Cl)Cl)N LS20508 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.69 c1c(cnc(c1F)N)Cl LS20235 [0,2,0,0,0,0|2,0,0]=4 364 B9R1.69 c1c(cnc(c1I)N)Br LS20269 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.69 c1c(cnc(c1N)Br)F LS20555 [0,2,0,0,0,0|2,0,0]=4 366 B9R1.69 c1c(cnc(c1N)Cl)Br LS20557 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.69 c1c(cnc(c1N)Cl)Cl LS20380 [0,2,0,0,0,0|2,0,0]=4 368 B9R1.69 c1c(cnc(c1N)F)Br LS20554 [0,2,0,0,0,0|2,0,0]=4 369 B9R1.69 c1c(cnc(c1N)N)Br LS20387 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.69 c1c(cnc(c1N)O)Br LS20340 [0,2,0,0,0,0|2,0,0]=4 371 B9R1.69 c1cc(c(cc1Br)Br)F LS10353 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.69 c1cc(c(cc1Br)Br)N LS11452 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.69 c1cc(c(cc1Br)Br)O LS11451 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.69 c1cc(c(cc1Br)Cl)Cl LS10687 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.69 c1cc(c(cc1Br)Cl)N LS11838 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.69 c1cc(c(cc1Br)F)Br LS11494 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.69 c1cc(c(cc1Br)F)N LS11405 [0,2,0,0,0,0|1,0,0]=3 378 B9R1.69 c1cc(c(cc1Br)I)F LS11632 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.69 c1cc(c(cc1Br)I)N LS10333 [0,2,0,0,0,0|1,0,0]=3 380 B9R1.69 c1cc(c(cc1Br)N)Br LS11325 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.69 c1cc(c(cc1Br)N)Cl LS10371 [0,2,0,0,0,0|1,0,0]=3 382 B9R1.69 c1cc(c(cc1Br)N)N LS00002 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [0,2,0,0,0,0|1,0,0]=3 384 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [0,2,0,0,0,0|2,0,0]=4 386 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [0,2,0,0,0,0|1,0,0]=3 387 B9R1.69 c1cc(c(cc1Cl)Br)O LS11737 [0,2,0,0,0,0|2,0,0]=4 388 B9R1.69 c1cc(c(cc1Cl)Cl)Br LS11198 [0,2,0,0,0,0|2,0,0]=4 389 B9R1.69 c1cc(c(cc1Cl)Cl)F LS11569 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.69 c1cc(c(cc1Cl)I)N LS10340 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.69 c1cc(c(cc1Cl)N)Br LS10347 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.69 c1cc(c(cc1F)Br)N LS11175 [0,2,0,0,0,0|1,0,0]=3 395 B9R1.69 c1cc(c(cc1F)Br)O LS10461 [0,2,0,0,0,0|2,0,0]=4 396 B9R1.69 c1cc(c(cc1F)Cl)S LS10397 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.69 c1cc(c(cc1F)N)Br LS10452 [0,2,0,0,0,0|1,0,0]=3 398 B9R1.69 c1cc(c(cc1F)N)O LS10399 [0,2,0,0,0,0|1,0,0]=3 399 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.69 c1cc(c(cc1I)Cl)Br LS10093 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.69 c1cc(c(cc1I)F)N LS10451 [0,2,0,0,0,0|1,0,0]=3 403 B9R1.69 c1cc(c(cc1N)Br)Cl LS10236 [0,2,0,0,0,0|1,0,0]=3 404 B9R1.69 c1cc(c(cc1N)Br)F LS10387 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.69 c1cc(c(cc1N)Cl)Cl LS11577 [0,2,0,0,0,0|1,0,0]=3 406 B9R1.69 c1cc(c(cc1N)Cl)F LS11518 [0,2,0,0,0,0|1,0,0]=3 407 B9R1.69 c1cc(c(cc1N)F)I LS10449 [0,2,0,0,0,0|1,0,0]=3 408 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [0,2,0,0,0,0|1,0,0]=3 409 B9R1.69 c1cc(c(cc1O)Br)Cl LS10344 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.69 c1cc(c(cc1O)Cl)Br LS10343 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.69 c1cc(c(cc1O)Cl)N LS11520 [0,2,0,0,0,0|1,0,0]=3 414 B9R1.69 c1cc(c(cc1O)F)N LS00146 [0,2,0,0,0,0|1,0,0]=3 415 B9R1.69 c1cc(c(cc1O)F)O LS00052 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.69 c1cc(c(cc1O)N)F LS10007 [0,2,0,0,0,0|1,0,0]=3 417 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.69 c1cc(c(cc1S)Cl)F LS10394 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.69 c1cc(nc(c1N)Cl)Cl LS20713 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.69 c1cc(nc(c1N)N)Cl LS20019 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.3 Cc1c(cccc1Br)F LS11797 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.3 Cc1c(cccc1Br)N LS00021 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.3 Cc1c(cccc1Cl)N LS11413 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.3 Cc1c(cccc1F)N LS10456 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.3 Cc1c(cccc1F)O LS11582 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.3 Cc1c(cccc1O)N LS11805 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.3 Cc1c(cccc1O)O LS10121 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.3 Cc1c(ccnc1Cl)I LS20852 [0,2,0,0,0,0|1,0,0]=3 429 B9R1.3 Cc1c(ccnc1F)I LS20345 [0,2,0,0,0,0|1,0,0]=3 430 B9R1.3 Cc1c(cncc1Cl)Cl LS20002 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.3 Cc1cccc(c1C)Br LS11762 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.3 Cc1cccc(c1F)O LS10317 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.3 Cc1cccc(c1I)F LS10535 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.3 Cc1cccc(c1N)Cl LS10715 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.3 Cc1cccc(c1N)F LS10282 [0,2,0,0,0,0|1,0,0]=3 436 B9R1.3 Cc1cccc(c1O)Cl LS10669 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.3 Cc1ccnc(c1Br)Cl LS20496 [0,2,0,0,0,0|1,0,0]=3 438 B9R1.3 Cc1ccnc(c1N)Br LS20512 [0,2,0,0,0,0|1,0,0]=3 439 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl LS20230 [0,2,0,0,0,0|1,0,0]=3 440 B9R1.3 c1c(c(c(cn1)Cl)N)Cl LS20507 [0,2,0,0,0,0|0,0,0]=2 441 B9R1.3 c1c(c(c(cn1)F)F)F LS20926 [0,2,0,0,0,0|1,0,0]=3 442 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl LS11372 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.3 c1cc(c(c(c1)Br)Cl)O LS10087 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.3 c1cc(c(c(c1)Br)F)N LS10570 [0,2,0,0,0,0|1,0,0]=3 445 B9R1.3 c1cc(c(c(c1)Br)N)Br LS11641 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.3 c1cc(c(c(c1)Br)O)Br LS11453 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl LS11199 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.3 c1cc(c(c(c1)Cl)Cl)O LS11389 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.3 c1cc(c(c(c1)Cl)F)F LS10287 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.3 c1cc(c(c(c1)Cl)F)O LS10395 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.3 c1cc(c(c(c1)Cl)I)N LS10555 [0,2,0,0,0,0|1,0,0]=3 452 B9R1.3 c1cc(c(c(c1)Cl)O)Cl LS10077 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.3 c1cc(c(c(c1)Cl)O)F LS10396 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.3 c1cc(c(c(c1)F)Br)N LS10453 [0,2,0,0,0,0|1,0,0]=3 455 B9R1.3 c1cc(c(c(c1)F)Cl)N LS11496 [0,2,0,0,0,0|1,0,0]=3 456 B9R1.3 c1cc(c(c(c1)F)Cl)O LS10193 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.3 c1cc(c(c(c1)F)I)N LS10450 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.3 c1cc(c(c(c1)F)O)F LS11403 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.3 c1cc(c(c(c1)F)O)O LS10021 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.3 c1cc(c(c(c1)I)Cl)Cl LS11545 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.3 c1cc(c(c(c1)I)N)Cl LS00034 [0,2,0,0,0,0|1,0,0]=3 462 B9R1.3 c1cc(c(c(c1)I)O)O LS10698 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.3 c1cc(c(c(c1)O)F)O LS10311 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.3 c1cc(c(c(c1)O)N)O LS11761 [0,2,0,0,0,0|1,0,0]=3 465 B9R1.3 c1cc(c(c(c1)O)N)O LS11782 [0,2,0,0,0,0|1,0,0]=3 466 B9R1.3 c1cnc(c(c1N)I)Cl LS21168 [0,2,0,0,0,0|0,0,0]=2 467 B9R1.3 c1nc(c(c(n1)Cl)N)Cl LS20311 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.3 c1nc(c(c(n1)N)N)N LS20623 [0,2,0,0,0,0|1,0,0]=3 469 B9R1.34 Cc1cc(cc(=O)[nH]1)O LS40012 [0,2,0,0,0,0|1,0,1]=4 470 B9R1.34 Cc1cc(cc(=O)o1)O LS40924 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.34 Cc1cc(cc(c1)Br)O LS10313 [0,2,0,0,0,0|2,0,0]=4 472 B9R1.34 Cc1cc(cc(c1)I)C LS11748 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.34 Cc1cc(nc(c1)Cl)C LS20404 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.34 Cc1cc(nc(c1)Cl)Cl LS20377 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.34 Cc1cc(nc(c1)N)C LS20569 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.34 Cc1cc(nc(n1)N)C LS21253 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.34 Cc1cc(nc(n1)S)C LS20849 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.34 Cc1cc(nc(n1)S)O LS20666 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.34 Cc1nc(cc(n1)Cl)Cl LS20305 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.34 c1c([nH]c(=O)[nH]c1=O)N LS40625 [0,2,0,0,0,0|1,0,1]=4 481 B9R1.34 c1c(cc(cc1Br)Br)Br LS11454 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.34 c1c(cc(cc1Br)Br)N LS10618 [0,2,0,0,0,0|1,0,0]=3 483 B9R1.34 c1c(cc(cc1Cl)Br)Cl LS10341 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.34 c1c(cc(cc1Cl)Cl)O LS10337 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.34 c1c(cc(cc1F)Cl)N LS00042 [0,2,0,0,0,0|1,0,0]=3 486 B9R1.34 c1c(cc(cc1F)F)F LS11673 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.34 c1c(cc(cc1F)F)N LS10767 [0,2,0,0,0,0|1,0,0]=3 488 B9R1.34 c1c(cc(cc1F)F)O LS10458 [0,2,0,0,0,0|2,0,0]=4 489 B9R1.34 c1c(cc(nc1Cl)Cl)I LS20633 [0,2,0,0,0,0|1,0,0]=3 490 B9R1.34 c1c(cc(nc1Cl)Cl)N LS20378 [0,2,0,0,0,0|0,0,0]=2 491 B9R1.34 c1c(nc(nc1Cl)N)Cl LS21240 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.34 c1c(nc(nc1Cl)N)N LS20308 [0,2,0,0,0,0|1,0,0]=3 493 B9R1.34 c1c(nc(nc1N)N)N LS21120 [0,2,0,0,0,0|1,0,0]=3 494 B9R1.34 c1c(nc(nc1O)N)O LS21241 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.34 c1c(nc(nc1O)S)N LS20611 [0,2,0,0,0,0|1,0,0]=3 496 B9R1.34 c1c(nc(nc1O)S)O LS20487 [0,2,0,0,0,0|2,0,0]=4 497 B5R1.1 c1c[nH]nc1 LS21032 [1,0,0,0,1,0|1,0,0]=3 498 B5R1.1 c1cnoc1 LS21145 [1,0,0,0,1,0|1,0,0]=3 499 B5R1.1 c1cnsc1 LS21251 [1,0,0,0,1,0|1,0,0]=3