0 B9R1.69 Cc1c(ccc(n1)Br)F LS20735 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 Cc1c(ccc(n1)Cl)F LS20355 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 Cc1c(ccc(n1)N)F LS20851 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 Cc1cc(ccc1F)N LS10454 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 Cc1cc(ncc1Br)F LS20411 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.69 Cc1cc(ncc1Br)N LS20447 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.69 Cc1cc(ncc1Cl)N LS20372 [0,0,0,0,0,0|3,1,0]=4 7 B9R1.69 Cc1cc(ncc1N)Br LS20366 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [0,0,0,0,0,0|3,1,0]=4 11 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.69 Cc1ccc(c(n1)Br)F LS20415 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.69 Cc1ccc(c(n1)N)Br LS20734 [0,0,0,0,0,0|2,1,1]=4 14 B9R1.69 Cc1ccc(c(n1)N)I LS21037 [0,0,0,0,0,0|2,1,1]=4 15 B9R1.69 Cc1ccc(cc1N)Br LS10331 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 Cc1ccc(cc1N)F LS10455 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 Cc1cnc(cc1Cl)Cl LS21148 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 Cc1cnc(cc1I)F LS20495 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 Cc1cnc(nc1Cl)Cl LS20390 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)Br LS40594 [0,0,0,0,0,0|1,1,1]=3 21 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)F LS40596 [0,0,0,0,0,0|1,0,1]=2 22 B9R1.69 c1c(c([nH]c(=O)n1)N)Br LS40593 [0,0,0,0,0,0|0,1,0]=1 23 B9R1.69 c1c(c([nH]c(=O)n1)N)F LS40595 [0,0,0,0,0,0|0,0,0]=0 24 B9R1.69 c1c(c(cnc1Cl)F)I LS20356 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.69 c1c(c(cnc1F)Cl)I LS20084 [0,0,0,0,0,0|3,1,0]=4 26 B9R1.69 c1c(c(nc(n1)Cl)Cl)Br LS20402 [0,0,0,0,0,0|2,1,1]=4 27 B9R1.69 c1c(c(nc(n1)Cl)Cl)Cl LS00048 [0,0,0,0,0,0|2,1,1]=4 28 B9R1.69 c1c(c(nc(n1)Cl)Cl)F LS00047 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.69 c1c(c(nc(n1)Cl)N)F LS20616 [0,0,0,0,0,0|1,0,1]=2 30 B9R1.69 c1c(c(nc(n1)Cl)O)F LS20170 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.69 c1c(cnc(c1N)F)Br LS20554 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.69 c1cc(c(cc1Br)Br)F LS10353 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.69 c1cc(c(cc1Br)I)F LS11632 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.69 c1cc(c(cc1Br)N)Br LS11325 [0,0,0,0,0,0|3,1,0]=4 35 B9R1.69 c1cc(c(cc1Br)N)Cl LS10371 [0,0,0,0,0,0|3,1,0]=4 36 B9R1.69 c1cc(c(cc1Br)N)N LS00002 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.69 c1cc(c(cc1Cl)Cl)F LS11569 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.69 c1cc(c(cc1Cl)N)Br LS10347 [0,0,0,0,0,0|3,1,0]=4 41 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.69 c1cc(c(cc1F)N)Br LS10452 [0,0,0,0,0,0|3,1,0]=4 43 B9R1.69 c1cc(c(cc1F)N)O LS10399 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 c1cc(c(cc1N)Br)F LS10387 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.69 c1cc(c(cc1N)Cl)F LS11518 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.69 c1cc(c(cc1O)N)F LS10007 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.69 c1cc(c(cc1S)Cl)F LS10394 [0,0,0,0,0,0|3,1,0]=4 49 B9R1.69 c1cc(nc(c1N)N)Cl LS20019 [0,0,0,0,0,0|3,0,1]=4 50 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.3 Cc1ccc(cn1)Br LS20399 [1,0,0,0,0,0|2,1,0]=4 52 B8R1.3 Cc1ccc(nc1)Br LS20538 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.3 Cc1ccc(nc1)Cl LS20543 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.3 c1c(cnc(n1)Br)Br LS20480 [1,0,0,0,0,0|1,1,1]=4 55 B8R1.3 c1c(cnc(n1)Cl)F LS20473 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.3 c1c(cnc(n1)Cl)N LS20481 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.3 c1c(cnc(n1)F)Br LS21159 [1,0,0,0,0,0|1,1,1]=4 58 B8R1.3 c1c(cnc(n1)N)Cl LS21227 [1,0,0,0,0,0|1,1,1]=4 59 B8R1.3 c1c(cnc(n1)O)Br LS21235 [1,0,0,0,0,0|0,1,2]=4 60 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [1,0,0,0,0,0|1,1,0]=3 61 B8R1.3 c1cc(ccc1F)F LS11211 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.3 c1cc(ccc1O)F LS10647 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.3 c1cc(ncc1Br)Br LS21029 [1,0,0,0,0,0|2,1,0]=4 64 B8R1.3 c1cc(ncc1Br)Cl LS20547 [1,0,0,0,0,0|2,1,0]=4 65 B8R1.3 c1cc(ncc1Br)F LS20408 [1,0,0,0,0,0|2,1,0]=4 66 B8R1.3 c1cc(ncc1Br)I LS20184 [1,0,0,0,0,0|2,1,0]=4 67 B8R1.3 c1cc(ncc1Cl)Br LS20546 [1,0,0,0,0,0|2,1,0]=4 68 B8R1.3 c1cc(ncc1Cl)Cl LS20534 [1,0,0,0,0,0|2,1,0]=4 69 B8R1.3 c1cc(ncc1Cl)F LS20537 [1,0,0,0,0,0|2,1,0]=4 70 B8R1.3 c1cc(ncc1F)Br LS20585 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.3 c1cc(ncc1F)F LS20951 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.3 c1cc(ncc1F)N LS20484 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.3 c1cc(ncc1F)O LS20722 [1,0,0,0,0,0|1,0,1]=3 74 B8R1.3 c1cc(ncc1I)Cl LS20455 [1,0,0,0,0,0|2,1,0]=4 75 B8R1.3 c1cc(ncc1I)F LS20342 [1,0,0,0,0,0|2,1,0]=4 76 B8R1.3 c1cc(ncc1I)N LS20442 [1,0,0,0,0,0|2,1,0]=4 77 B8R1.3 c1cc(ncc1N)Cl LS20443 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.3 c1cc(ncc1N)F LS20550 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.3 c1cc(ncc1N)O LS20334 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.3 c1cc(ncc1O)F LS20343 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.3 c1cc(ncc1O)N LS20718 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.4 Cc1ccnc(c1)Br LS20539 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.4 Cc1ccnc(c1)Cl LS20535 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.4 Cc1ccnc(c1)F LS20532 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.4 Cc1ccnc(n1)Cl LS20314 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.4 Cc1ccnc(n1)O LS20077 [1,0,0,0,0,0|1,0,2]=4 87 B8R1.4 Cc1nccc(n1)Cl LS20043 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.4 c1c(ncnc1Cl)N LS20309 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.4 c1c[nH]c(=S)[nH]c1=O LS40673 [1,0,0,0,0,0|1,1,1]=4 90 B8R1.4 c1cc(cc(c1)Br)N LS10546 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.4 c1cc(cc(c1)I)N LS10554 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.4 c1cc(nc(c1)Br)N LS21036 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.4 c1cc(nc(c1)Cl)N LS20252 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.4 c1cnc(cc1Br)Br LS20383 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.4 c1cnc(cc1Br)Cl LS20559 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.4 c1cnc(cc1Br)F LS20514 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.4 c1cnc(cc1Br)N LS20124 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.4 c1cnc(cc1Br)O LS20336 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.4 c1cnc(cc1Cl)Cl LS21157 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.4 c1cnc(cc1Cl)N LS20373 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.4 c1cnc(cc1F)Cl LS20357 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.4 c1cnc(cc1I)Br LS20183 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.4 c1cnc(cc1I)Cl LS20424 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.4 c1cnc(cc1I)F LS20204 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.4 c1cnc(cc1N)Br LS20188 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.4 c1cnc(cc1N)Cl LS20509 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.4 c1cnc(cc1O)Cl LS20425 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.4 c1cnc(cc1O)N LS20319 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.4 c1cnc(nc1Cl)Cl LS20619 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.5 Cc1c(cccn1)F LS00100 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.5 Cc1c(cncn1)Br LS20023 [1,0,0,0,0,0|1,1,1]=4 112 B8R1.5 Cc1c(cncn1)Cl LS21219 [1,0,0,0,0,0|1,1,1]=4 113 B8R1.5 Cc1cccnc1N LS20579 [1,0,0,0,0,0|2,0,1]=4 114 B8R1.5 Cc1ccncc1Br LS20222 [1,0,0,0,0,0|2,1,0]=4 115 B8R1.5 Cc1ccncc1F LS20260 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.5 Cc1ccncc1N LS20500 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.5 Cc1cnccc1Br LS20316 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.5 Cc1cnccc1Cl LS20243 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.5 Cc1cncnc1Cl LS20953 [1,0,0,0,0,0|2,0,1]=4 120 B8R1.5 c1c(c(ncn1)Br)F LS21214 [1,0,0,0,0,0|1,0,1]=3 121 B8R1.5 c1c(c(ncn1)Br)N LS21199 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.5 c1c(c(ncn1)Cl)F LS20617 [1,0,0,0,0,0|1,0,1]=3 123 B8R1.5 c1cc(c(nc1)Br)F LS20948 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [1,0,0,0,0,0|2,0,1]=4 125 B8R1.5 c1cc(c(nc1)F)F LS20846 [1,0,0,0,0,0|2,0,1]=4 126 B8R1.5 c1cc(c(nc1)N)Br LS20925 [1,0,0,0,0,0|1,1,1]=4 127 B8R1.5 c1cc(c(nc1)N)F LS20418 [1,0,0,0,0,0|1,0,1]=3 128 B8R1.5 c1cc(c(nc1)N)N LS20494 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.5 c1ccc(c(c1)N)Br LS11448 [1,0,0,0,0,0|2,1,0]=4 130 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [1,0,0,0,0,0|2,1,0]=4 131 B8R1.5 c1ccc(c(c1)N)I LS10537 [1,0,0,0,0,0|2,1,0]=4 132 B8R1.5 c1ccc(c(c1)O)F LS10471 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.5 c1cncc(c1Br)Cl LS20493 [1,0,0,0,0,0|2,1,0]=4 134 B8R1.5 c1cncc(c1Cl)Cl LS20322 [1,0,0,0,0,0|2,1,0]=4 135 B8R1.5 c1cncc(c1N)F LS20317 [1,0,0,0,0,0|1,0,0]=2 136 B8R1.5 c1cncc(c1N)N LS00018 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.22 c1(c(nc(nc1O)S)N)N LS40537 [0,1,0,0,0,0|1,1,1]=4 138 B10R1.22 c1c(cc(c(c1N)F)F)F LS10447 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.25 COc1cnc(nc1N)Cl LS20721 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.30 c1cc(c(cc1Cl)NN)F LS10281 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.118 Cc1cc(c(cc1Br)F)N LS10414 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.118 Cc1cc(c(cc1Cl)F)N LS10381 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.119 c1c(c(c(c(n1)Br)N)N)Br LS20571 [0,1,0,0,0,0|2,1,0]=4 144 B10R1.176 COc1ccc(c(c1)N)F LS10016 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.18 c1(c(nc([nH]1)Br)Br)Br LS20303 [0,0,0,0,1,0|2,1,0]=4 148 B7R1.3 c1c(cncn1)Br LS21249 [2,0,0,0,0,0|0,1,1]=4 149 B7R1.3 c1c(cncn1)Cl LS20622 [2,0,0,0,0,0|0,1,1]=4 150 B7R1.3 c1c(cncn1)F LS20621 [2,0,0,0,0,0|0,0,1]=3 151 B7R1.3 c1cc(cnc1)Br LS20426 [2,0,0,0,0,0|1,1,0]=4 152 B7R1.3 c1cc(cnc1)F LS20779 [2,0,0,0,0,0|1,0,0]=3 153 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [2,0,0,0,0,0|1,0,0]=3 154 B7R1.3 c1ccnc(c1)Br LS20874 [2,0,0,0,0,0|2,0,0]=4 155 B7R1.3 c1ccnc(c1)F LS20778 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.3 c1ccnc(c1)N LS20582 [2,0,0,0,0,0|1,0,1]=4 157 B7R1.3 c1cnc(nc1)N LS20478 [2,0,0,0,0,0|1,0,1]=4 158 B7R1.3 c1cnccc1F LS40545 [2,0,0,0,0,0|2,0,0]=4 159 B7R1.3 c1cnccc1N LS20499 [2,0,0,0,0,0|1,0,0]=3 160 B7R1.3 c1cnccc1O LS21099 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.1 COc1ccc(cn1)F LS20238 [1,1,0,0,0,0|1,0,1]=4 162 B9R1.1 c1c(cnc(n1)C#N)F LS20626 [1,1,0,0,0,0|1,0,1]=4 163 B9R1.1 c1cc(ncc1Br)C=O LS20518 [1,1,0,0,0,0|1,1,0]=4 164 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [1,1,0,0,0,0|1,1,0]=4 165 B9R1.1 c1cc(ncc1F)C#N LS20040 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.2 COc1cc(ccn1)N LS20329 [1,1,0,0,0,0|1,0,1]=4 167 B9R1.3 c1cnc(c(c1N)I)Cl LS21168 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.34 Cc1cc(cc(=O)[nH]1)O LS40012 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.34 c1c(=O)[nH]c(=O)[nH]c1Cl LS40271 [1,1,0,0,0,0|1,0,1]=4 170 B9R1.34 c1c([nH]c(=O)[nH]c1=O)N LS40625 [1,1,0,0,0,0|0,0,1]=3 171 B9R1.34 c1c(cc(nc1Cl)Cl)N LS20378 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.34 c1c(nc(nc1Cl)N)N LS20308 [1,1,0,0,0,0|1,0,1]=4 173 B9R1.34 c1c(nc(nc1N)N)N LS21120 [1,1,0,0,0,0|1,0,1]=4 174 B9R1.34 c1c(nc(nc1O)S)N LS20611 [1,1,0,0,0,0|0,1,1]=4 175 B9R1.15 CCc1c(cncn1)F LS20618 [1,1,0,0,0,0|1,0,1]=4 176 B9R1.15 CNc1ccccc1F LS10646 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.15 COc1cncnc1N LS20720 [1,1,0,0,0,0|1,0,1]=4 178 B9R1.15 c1ccc(c(c1)NN)F LS11539 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.37 C1(=C(C(=O)NC1=O)Br)Br LS40584 [0,1,0,0,1,0|1,1,0]=4 180 B7R1.4 Cn1c(ccn1)N LS20177 [1,0,0,0,1,0|2,0,0]=4