0 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.3 Cc1ccc(cc1)Cl LS11416 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 Cc1ccc(cn1)Br LS20399 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 Cc1ccc(nc1)Br LS20538 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.3 Cc1ccc(nc1)Cl LS20543 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.3 Cc1ccc(nn1)Cl LS21118 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.3 Cc1cnc(cn1)N LS20063 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.3 c1c(cnc(n1)Br)Br LS20480 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.3 c1c(cnc(n1)Cl)F LS20473 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.3 c1c(cnc(n1)Cl)N LS20481 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.3 c1c(cnc(n1)F)Br LS21159 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.3 c1c(cnc(n1)N)Cl LS21227 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.3 c1c(cnc(n1)O)Br LS21235 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.3 c1c(ncc(n1)Br)N LS20288 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.3 c1cc(ccc1Br)I LS11203 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.3 c1cc(ccc1F)F LS11211 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.3 c1cc(ccc1N)Br LS11446 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.3 c1cc(ccc1N)I LS11481 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.3 c1cc(ccc1O)Br LS11445 [0,0,0,0,0,0|1,0,0]=1 20 B8R1.3 c1cc(ccc1O)F LS10647 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.3 c1cc(ccc1O)I LS10366 [0,0,0,0,0,0|1,0,0]=1 22 B8R1.3 c1cc(ncc1Br)Br LS21029 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.3 c1cc(ncc1Br)Cl LS20547 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.3 c1cc(ncc1Br)F LS20408 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.3 c1cc(ncc1Br)I LS20184 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.3 c1cc(ncc1Cl)Br LS20546 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.3 c1cc(ncc1Cl)Cl LS20534 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.3 c1cc(ncc1Cl)F LS20537 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.3 c1cc(ncc1F)Br LS20585 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.3 c1cc(ncc1F)F LS20951 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.3 c1cc(ncc1F)N LS20484 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.3 c1cc(ncc1F)O LS20722 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.3 c1cc(ncc1I)Cl LS20455 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.3 c1cc(ncc1I)F LS20342 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.3 c1cc(ncc1I)N LS20442 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.3 c1cc(ncc1N)Cl LS20443 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.3 c1cc(ncc1N)F LS20550 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.3 c1cc(ncc1N)O LS20334 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.3 c1cc(ncc1O)F LS20343 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.3 c1cc(ncc1O)N LS20718 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.3 c1cc(nnc1N)Br LS20114 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.3 c1cc(nnc1N)Cl LS20255 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.3 c1c(cncn1)Br LS21249 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.3 c1c(cncn1)Cl LS20622 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.3 c1c(cncn1)F LS20621 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.3 c1cc(cnc1)Br LS20426 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 c1cc(cnc1)F LS20779 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [1,0,0,0,0,0|1,0,1]=3 49 B7R1.3 c1ccnc(c1)Br LS20874 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.3 c1ccnc(c1)F LS20778 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 c1ccnc(c1)N LS20582 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 c1cnc(cn1)Cl LS20940 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.3 c1cnc(nc1)N LS20478 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.3 c1cnccc1F LS40545 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 c1cnccc1N LS20499 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.3 c1cnccc1O LS21099 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.1 CCc1ccc(cc1)F LS11765 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.1 CCc1ccc(cn1)Br LS21179 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.1 COc1ccc(cc1)O LS10474 [0,1,0,0,0,0|0,0,0]=1 62 B9R1.1 COc1ccc(cc1)S LS11831 [0,1,0,0,0,0|0,1,0]=2 63 B9R1.1 COc1ccc(cn1)Br LS21039 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.1 COc1ccc(cn1)F LS20238 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.1 COc1ccc(cn1)N LS20615 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 COc1ccc(nc1)Cl LS20524 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.1 COc1ncc(cn1)N LS21217 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.1 Cc1ccc(cc1)C#C LS10578 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.1 Cc1ccc(cc1)CBr LS11264 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.1 Cc1ccc(cc1)CN LS11220 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.1 Cc1ccc(cc1)CO LS11273 [0,1,0,0,0,0|1,0,0]=2 72 B9R1.1 Cc1ccc(nc1)C#N LS20218 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.1 Cc1ccc(nc1)OC LS20323 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.1 c1cc(ccc1C#N)Br LS11574 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.1 c1cc(ccc1C#N)F LS10440 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.1 c1cc(ccc1C#N)N LS10115 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [0,1,0,0,0,0|1,0,1]=3 78 B9R1.1 c1cc(ccc1CBr)Br LS11427 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.1 c1cc(ccc1CBr)F LS10228 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.1 c1cc(ccc1CBr)I LS11269 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.1 c1cc(ccc1CO)I LS11275 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.1 c1cc(ccc1CO)N LS10779 [0,1,0,0,0,0|1,0,0]=2 84 B9R1.1 c1cc(ccc1NN)F LS10358 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.1 c1cc(ncc1Br)C#N LS20014 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.1 c1cc(ncc1Br)C=O LS20518 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.1 c1cc(ncc1Br)CO LS20572 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.1 c1cc(ncc1Br)NN LS20208 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.1 c1cc(ncc1C#N)Br LS20012 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.1 c1cc(ncc1C#N)Cl LS20006 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.1 c1cc(ncc1C=O)Br LS20544 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.1 c1cc(ncc1CO)N LS40930 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.1 c1cc(ncc1Cl)C#N LS20081 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.1 c1cc(ncc1F)C#N LS20040 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.69 Cc1c(cc(cn1)Br)Br LS20041 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.69 Cc1c(ccc(n1)Br)Br LS20405 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.69 Cc1c(ccc(n1)Br)F LS20735 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.69 Cc1c(ccc(n1)Br)N LS20743 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.69 Cc1c(ccc(n1)Cl)Br LS20733 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.69 Cc1c(ccc(n1)Cl)F LS20355 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.69 Cc1c(ccc(n1)Cl)N LS20510 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.69 Cc1c(ccc(n1)N)Br LS20737 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.69 Cc1c(ccc(n1)N)F LS20851 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.69 Cc1c(ccc(n1)O)Br LS20736 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.69 Cc1cc(c(=O)[nH]c1)N LS20003 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.69 Cc1cc(c(nc1)Br)Br LS20386 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.69 Cc1cc(c(nc1)Br)C LS20029 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.69 Cc1cc(c(nc1)Br)N LS20369 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.69 Cc1cc(c(nc1)C)C LS20056 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.69 Cc1cc(c(nc1)Cl)F LS20093 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.69 Cc1cc(c(nc1)Cl)N LS20551 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.69 Cc1cc(c(nc1)F)I LS20636 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.69 Cc1cc(c(nc1)N)Br LS20448 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.69 Cc1cc(ccc1Br)F LS10433 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.69 Cc1cc(ccc1Br)O LS10569 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.69 Cc1cc(ccc1F)N LS10454 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.69 Cc1cc(ccc1O)Br LS10229 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.69 Cc1cc(cnc1Br)Br LS20558 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.69 Cc1cc(cnc1Br)Cl LS20774 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 Cc1cc(cnc1Br)F LS20363 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.69 Cc1cc(cnc1Cl)F LS20354 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.69 Cc1cc(cnc1F)N LS20741 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.69 Cc1cc(cnc1F)O LS20344 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.69 Cc1cc(cnc1N)Br LS20513 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.69 Cc1cc(cnc1O)Br LS20335 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.69 Cc1cc(ncc1Br)F LS20411 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.69 Cc1cc(ncc1Br)N LS20447 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.69 Cc1cc(ncc1Cl)N LS20372 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.69 Cc1cc(ncc1N)Br LS20366 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.69 Cc1ccc(c(n1)Br)F LS20415 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.69 Cc1ccc(c(n1)Cl)Br LS20497 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.69 Cc1ccc(c(n1)Cl)N LS20511 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.69 Cc1ccc(c(n1)F)Br LS20349 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.69 Cc1ccc(c(n1)N)Br LS20734 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.69 Cc1ccc(c(n1)N)I LS21037 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.69 Cc1ccc(cc1Br)Br LS10325 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.69 Cc1ccc(cc1Br)F LS10434 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.69 Cc1ccc(cc1Cl)F LS10431 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.69 Cc1ccc(cc1F)N LS10457 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.69 Cc1ccc(cc1N)Br LS10331 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.69 Cc1ccc(cc1N)F LS10455 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.69 Cc1ccc(nc1Cl)Cl LS20613 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.69 Cc1cnc(cc1Cl)Cl LS21148 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.69 Cc1cnc(cc1I)F LS20495 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.69 c1c(c(cnc1Cl)F)I LS20356 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.69 c1c(c(cnc1F)Cl)I LS20084 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.69 c1c(cnc(c1Br)Cl)Br LS20362 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.69 c1c(cnc(c1Br)Cl)N LS20556 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.69 c1c(cnc(c1Br)F)Br LS20214 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.69 c1c(cnc(c1Br)F)N LS20350 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.69 c1c(cnc(c1Br)O)F LS20211 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.69 c1c(cnc(c1Cl)Cl)Br LS20479 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.69 c1c(cnc(c1Cl)Cl)N LS20508 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.69 c1c(cnc(c1F)Br)F LS20400 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.69 c1c(cnc(c1F)Cl)Br LS20548 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.69 c1c(cnc(c1F)N)Cl LS20235 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.69 c1c(cnc(c1I)N)Br LS20269 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.69 c1c(cnc(c1N)Br)F LS20555 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.69 c1c(cnc(c1N)Cl)Br LS20557 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.69 c1c(cnc(c1N)Cl)Cl LS20380 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.69 c1c(cnc(c1N)F)Br LS20554 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.69 c1c(cnc(c1N)N)Br LS20387 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.69 c1c(cnc(c1N)O)Br LS20340 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.69 c1cc(c(cc1Br)Br)F LS10353 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.69 c1cc(c(cc1Br)Br)N LS11452 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.69 c1cc(c(cc1Br)Br)O LS11451 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.69 c1cc(c(cc1Br)Cl)Cl LS10687 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.69 c1cc(c(cc1Br)Cl)N LS11838 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.69 c1cc(c(cc1Br)F)Br LS11494 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.69 c1cc(c(cc1Br)F)N LS11405 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.69 c1cc(c(cc1Br)I)F LS11632 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.69 c1cc(c(cc1Br)I)N LS10333 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.69 c1cc(c(cc1Br)N)Br LS11325 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.69 c1cc(c(cc1Br)N)Cl LS10371 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.69 c1cc(c(cc1Br)N)N LS00002 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [0,1,0,0,0,0|1,0,0]=2 189 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.69 c1cc(c(cc1Cl)Br)O LS11737 [0,1,0,0,0,0|1,0,0]=2 193 B9R1.69 c1cc(c(cc1Cl)Cl)Br LS11198 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.69 c1cc(c(cc1Cl)Cl)F LS11569 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.69 c1cc(c(cc1Cl)I)N LS10340 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.69 c1cc(c(cc1Cl)N)Br LS10347 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [0,1,0,0,0,0|1,0,0]=2 198 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.69 c1cc(c(cc1F)Br)N LS11175 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.69 c1cc(c(cc1F)Br)O LS10461 [0,1,0,0,0,0|1,0,0]=2 201 B9R1.69 c1cc(c(cc1F)Cl)S LS10397 [0,1,0,0,0,0|1,1,0]=3 202 B9R1.69 c1cc(c(cc1F)N)Br LS10452 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.69 c1cc(c(cc1F)N)O LS10399 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.69 c1cc(c(cc1I)Cl)Br LS10093 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.69 c1cc(c(cc1I)F)N LS10451 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.69 c1cc(c(cc1N)Br)Cl LS10236 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.69 c1cc(c(cc1N)Br)F LS10387 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.69 c1cc(c(cc1N)Cl)Cl LS11577 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.69 c1cc(c(cc1N)Cl)F LS11518 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.69 c1cc(c(cc1N)F)I LS10449 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.69 c1cc(c(cc1O)Br)Cl LS10344 [0,1,0,0,0,0|1,0,0]=2 215 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [0,1,0,0,0,0|1,0,0]=2 216 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [0,1,0,0,0,0|0,0,0]=1 217 B9R1.69 c1cc(c(cc1O)Cl)Br LS10343 [0,1,0,0,0,0|1,0,0]=2 218 B9R1.69 c1cc(c(cc1O)Cl)N LS11520 [0,1,0,0,0,0|1,0,0]=2 219 B9R1.69 c1cc(c(cc1O)F)N LS00146 [0,1,0,0,0,0|1,0,0]=2 220 B9R1.69 c1cc(c(cc1O)F)O LS00052 [0,1,0,0,0,0|0,0,0]=1 221 B9R1.69 c1cc(c(cc1O)N)F LS10007 [0,1,0,0,0,0|1,0,0]=2 222 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [0,1,0,0,0,0|1,0,0]=2 223 B9R1.69 c1cc(c(cc1S)Cl)F LS10394 [0,1,0,0,0,0|1,1,0]=3 224 B9R1.69 c1cc(nc(c1N)Cl)Cl LS20713 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.69 c1cc(nc(c1N)N)Cl LS20019 [0,1,0,0,0,0|3,0,0]=4 226 B7R1.2 Cc1cc(cs1)Br LS20656 [0,0,0,0,1,0|3,0,0]=4 227 B7R1.2 Cc1ccc(s1)Br LS20655 [0,0,0,0,1,0|3,0,0]=4 228 B7R1.2 Cc1ccc(s1)C LS20641 [0,0,0,0,1,0|3,0,0]=4 229 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,0,0,0,1,0|3,0,0]=4 230 B7R1.2 c1c(n[nH]c1O)N LS20240 [0,0,0,0,1,0|3,0,0]=4 231 B7R1.2 c1cc(sc1Br)Br LS20657 [0,0,0,0,1,0|3,0,0]=4 232 B6R1.1 c1cc[nH+]cc1 LS00013 [2,0,0,0,0,0|1,0,0]=3 233 B6R1.1 c1ccncc1 LS40760 [2,0,0,0,0,0|1,0,0]=3 234 B6R1.1 c1cnccn1 LS20037 [2,0,0,0,0,0|2,0,0]=4 235 B6R1.1 c1cncnc1 LS20614 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 C#Cc1ccccc1 LS10701 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.2 CNc1cccnc1 LS20470 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.2 c1cc(cnc1)C=O LS20485 [1,1,0,0,0,0|1,0,1]=4 239 B8R1.2 c1ccc(cc1)C=O LS41490 [1,1,0,0,0,0|0,0,1]=3 240 B8R1.2 c1ccc(cc1)CO LS41488 [1,1,0,0,0,0|0,0,0]=2 241 B8R1.2 c1cnccc1C=O LS20943 [1,1,0,0,0,0|1,0,1]=4 242 B8R1.2 c1cnccc1CN LS20857 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.2 c1cnccc1NN LS20045 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.4 Cc1cc(cnc1)Br LS20401 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.4 Cc1cc(cnc1)C LS41253 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.4 Cc1cccc(n1)Br LS20561 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.4 Cc1cccc(n1)Cl LS20527 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.4 Cc1ccnc(c1)Br LS20539 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.4 Cc1ccnc(c1)Cl LS20535 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.4 Cc1ccnc(c1)F LS20532 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.4 Cc1ccnc(n1)O LS20077 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.4 c1c(cncc1Br)Br LS20981 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.4 c1c(cncc1Br)N LS20949 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.4 c1c(cncc1Cl)Cl LS20213 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.4 c1c(cncc1F)O LS20013 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.4 c1cc(cc(c1)Br)N LS10546 [1,1,0,0,0,0|1,0,0]=3 257 B8R1.4 c1cc(cc(c1)F)F LS10472 [1,1,0,0,0,0|1,0,0]=3 258 B8R1.4 c1cc(cc(c1)F)O LS11397 [1,1,0,0,0,0|0,0,0]=2 259 B8R1.4 c1cc(cc(c1)I)Br LS11202 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.4 c1cc(cc(c1)I)N LS10554 [1,1,0,0,0,0|1,0,0]=3 261 B8R1.4 c1cc(cc(c1)S)O LS11830 [1,1,0,0,0,0|0,0,0]=2 262 B8R1.4 c1cc(nc(c1)Br)Cl LS20266 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.4 c1cc(nc(c1)Br)F LS20210 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.4 c1cc(nc(c1)Br)N LS21036 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.4 c1cc(nc(c1)Cl)N LS20252 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.4 c1cc(nc(c1)F)F LS20009 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.4 c1cnc(cc1Br)Br LS20383 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.4 c1cnc(cc1Br)Cl LS20559 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.4 c1cnc(cc1Br)F LS20514 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.4 c1cnc(cc1Br)N LS20124 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.4 c1cnc(cc1Br)O LS20336 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.4 c1cnc(cc1Cl)Cl LS21157 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.4 c1cnc(cc1Cl)N LS20373 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.4 c1cnc(cc1F)Cl LS20357 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.4 c1cnc(cc1I)Br LS20183 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.4 c1cnc(cc1I)Cl LS20424 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.4 c1cnc(cc1I)F LS20204 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.4 c1cnc(cc1N)Br LS20188 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.4 c1cnc(cc1N)Cl LS20509 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.4 c1cnc(cc1O)Cl LS20425 [1,1,0,0,0,0|1,0,0]=3 282 B8R1.4 c1cnc(cc1O)N LS20319 [1,1,0,0,0,0|1,0,0]=3 283 B8R1.5 Cc1c(cccn1)Br LS20529 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.5 Cc1c(cccn1)F LS00100 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.5 Cc1c(cccn1)O LS20321 [1,1,0,0,0,0|1,0,0]=3 286 B8R1.5 Cc1ccccc1Cl LS11417 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.5 Cc1cccnc1Br LS20246 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.5 Cc1cccnc1F LS20403 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.5 Cc1cccnc1N LS20579 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.5 Cc1cccnc1O LS20286 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.5 Cc1ccncc1Br LS20222 [1,1,0,0,0,0|2,0,0]=4 292 B8R1.5 Cc1ccncc1F LS20260 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.5 Cc1ccncc1N LS20500 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.5 Cc1cnccc1Br LS20316 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.5 Cc1cnccc1Cl LS20243 [1,1,0,0,0,0|2,0,0]=4 296 B8R1.5 Cn1ccccc1=O LS40391 [1,1,0,0,0,0|1,0,1]=4 297 B8R1.5 c1cc(c(nc1)Br)Br LS20191 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.5 c1cc(c(nc1)Br)F LS20948 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.5 c1cc(c(nc1)Br)N LS20186 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.5 c1cc(c(nc1)Cl)Cl LS20542 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.5 c1cc(c(nc1)Cl)I LS20536 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.5 c1cc(c(nc1)F)Br LS20414 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.5 c1cc(c(nc1)F)F LS20846 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.5 c1cc(c(nc1)I)N LS20187 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.5 c1cc(c(nc1)N)Br LS20925 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.5 c1cc(c(nc1)N)F LS20418 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.5 c1cc(c(nc1)N)N LS20494 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.5 c1cc[n+](c(c1)Cl)[O-] LS21129 [1,1,0,0,0,0|1,0,1]=4 310 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [1,1,0,0,0,0|1,0,0]=3 311 B8R1.5 c1ccc(c(c1)Br)I LS10473 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.5 c1ccc(c(c1)N)Br LS11448 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.5 c1ccc(c(c1)N)I LS10537 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.5 c1ccc(c(c1)O)Br LS11447 [1,1,0,0,0,0|0,0,0]=2 317 B8R1.5 c1ccc(c(c1)O)F LS10471 [1,1,0,0,0,0|0,0,0]=2 318 B8R1.5 c1ccc(c(c1)O)I LS00004 [1,1,0,0,0,0|0,0,0]=2 319 B8R1.5 c1ccn(c(=O)c1)O LS21131 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.5 c1cncc(c1Br)Cl LS20493 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.5 c1cncc(c1Cl)Cl LS20322 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.5 c1cncc(c1N)F LS20317 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.5 c1cncc(c1N)N LS00018 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.1 CCOc1ccc(cn1)Br LS20352 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.1 Cc1ccc(cc1)CCN LS11229 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.1 Cc1ccc(cc1)CCO LS11239 [0,2,0,0,0,0|1,0,0]=3 327 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.1 c1cc(ccc1CCN)Br LS11228 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.1 c1cc(ccc1CCN)N LS10602 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.1 c1cc(ccc1CCN)O LS11714 [0,2,0,0,0,0|1,0,0]=3 332 B10R1.1 c1cc(ccc1CCO)Br LS11249 [0,2,0,0,0,0|1,0,0]=3 333 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [0,2,0,0,0,0|1,0,0]=3 334 B10R1.1 c1cc(ccc1CCO)F LS11241 [0,2,0,0,0,0|1,0,0]=3 335 B10R1.3 c1cc(ccc1CCl)C#N LS11851 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.3 c1cc(ccc1CCl)CCl LS11854 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.13 B(c1ccc(cc1)Br)(O)O LS10182 [0,2,0,0,0,0|1,0,0]=3 338 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [0,2,0,0,0,0|1,0,0]=3 339 B10R1.13 B(c1ccc(cc1)Cl)(O)O LS00091 [0,2,0,0,0,0|1,0,0]=3 340 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [0,2,0,0,0,0|1,0,0]=3 341 B10R1.13 B(c1ccc(cc1)I)(O)O LS10893 [0,2,0,0,0,0|1,0,0]=3 342 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [0,2,0,0,0,0|1,0,0]=3 343 B10R1.13 B(c1ccc(cc1)O)(O)O LS10892 [0,2,0,0,0,0|0,0,0]=2 344 B10R1.13 B(c1ccc(cc1)S)(O)O LS00089 [0,2,0,0,0,0|0,1,0]=3 345 B10R1.13 B(c1ccc(nc1)Br)(O)O LS11091 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.13 B(c1ccc(nc1)C)(O)O LS11103 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.13 B(c1ccc(nc1)Cl)(O)O LS11095 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.13 B(c1ccc(nc1)F)(O)O LS20294 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.13 B(c1ccc(nc1)N)(O)O LS21229 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,2,0,0,0,0|1,0,1]=4 351 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,2,0,0,0,0|1,0,1]=4 352 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,2,0,0,0,0|1,0,1]=4 353 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,2,0,0,0,0|0,0,1]=3 354 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.13 c1c(ncc(n1)O)C(=O)O LS20206 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [0,2,0,0,0,0|1,0,1]=4 360 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [0,2,0,0,0,0|1,0,0]=3 361 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [0,2,0,0,0,0|1,0,1]=4 362 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [0,2,0,0,0,0|1,0,1]=4 363 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.13 c1cc(ncc1[N+](=O)[O-])O LS20531 [0,2,0,0,0,0|1,0,1]=4 368 B10R1.25 COc1c(cc(cn1)Br)Br LS20333 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.25 COc1c(cc(cn1)Br)Cl LS00025 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.25 COc1c(cc(cn1)Br)F LS20011 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.25 COc1c(cc(cn1)Cl)Br LS20332 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.25 COc1c(cc(cn1)N)Br LS20553 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.25 COc1ccc(cc1Br)N LS10092 [0,2,0,0,0,0|1,0,0]=3 374 B10R1.25 COc1ccc(cc1F)N LS10107 [0,2,0,0,0,0|1,0,0]=3 375 B10R1.25 COc1ccc(cc1F)O LS10467 [0,2,0,0,0,0|0,0,0]=2 376 B10R1.25 COc1ccc(cc1I)N LS10132 [0,2,0,0,0,0|1,0,0]=3 377 B10R1.25 COc1cnc(nc1O)O LS20708 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.25 Cc1cc(ccc1C#N)Br LS10274 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [0,2,0,0,0,0|1,0,1]=4 380 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [0,2,0,0,0,0|0,0,1]=3 381 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [0,2,0,0,0,0|1,0,0]=3 382 B10R1.25 c1cc(c(cc1Br)Cl)C#N LS11359 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.25 c1cc(c(cc1Br)F)C#N LS11209 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [0,2,0,0,0,0|1,0,1]=4 385 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [0,2,0,0,0,0|1,0,1]=4 386 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [0,2,0,0,0,0|1,0,1]=4 387 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [0,2,0,0,0,0|1,0,1]=4 389 B10R1.25 c1cc(c(cc1Cl)N)C#N LS11442 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [0,2,0,0,0,0|1,0,1]=4 391 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [0,2,0,0,0,0|1,0,1]=4 392 B10R1.25 c1cc(c(cc1F)Cl)C#N LS10355 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [0,2,0,0,0,0|1,0,1]=4 394 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [0,2,0,0,0,0|1,0,1]=4 395 B10R1.25 c1cc(c(cc1I)F)C#N LS11208 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.25 c1cc(c(cc1N)F)C#N LS11207 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.25 c1cc(c(cc1O)Cl)C#N LS10262 [0,2,0,0,0,0|1,0,0]=3 398 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [0,2,0,0,0,0|0,0,1]=3 399 B10R1.176 COc1ccc(c(c1)Br)Cl LS11200 [0,2,0,0,0,0|1,0,0]=3 400 B10R1.176 COc1ccc(c(c1)Br)N LS10024 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.176 COc1ccc(c(c1)I)N LS10038 [0,2,0,0,0,0|1,0,0]=3 402 B10R1.176 COc1ccc(c(c1)N)Br LS11669 [0,2,0,0,0,0|1,0,0]=3 403 B10R1.176 COc1ccc(c(c1)N)F LS10016 [0,2,0,0,0,0|1,0,0]=3 404 B10R1.176 Cc1c(ccc(n1)OC)Br LS20326 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.176 Cc1c(ccc(n1)OC)F LS20325 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.176 Cc1c(ccc(n1)OC)N LS20506 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.176 Cc1c(ccc(n1)OC)N LS20740 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.176 Cc1cc(ccc1Br)C#N LS00135 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.176 Cc1cc(ccc1Cl)C#N LS10009 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.176 Cc1cc(ncc1Br)OC LS20327 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.176 Cc1cc(ncc1N)OC LS20328 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [0,2,0,0,0,0|1,0,1]=4 413 B10R1.176 Cc1ccc(cc1F)C#N LS10444 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.176 c1cc(c(cc1C#N)Cl)Br LS10143 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.176 c1cc(c(cc1C#N)F)Br LS10276 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.176 c1cc(c(cc1C#N)N)N LS10415 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [0,2,0,0,0,0|1,0,0]=3 418 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [0,2,0,0,0,0|0,0,1]=3 419 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [0,2,0,0,0,0|1,0,1]=4 420 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [0,2,0,0,0,0|0,0,1]=3 421 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [0,2,0,0,0,0|0,0,1]=3 422 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [0,2,0,0,0,0|1,0,1]=4 423 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [0,2,0,0,0,0|1,0,1]=4 424 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [0,2,0,0,0,0|0,0,1]=3 425 B10R1.176 c1cc(c(cc1CN)Cl)Cl LS11225 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.22 Cc1c(cc(cc1Cl)N)Cl LS10547 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.22 Cc1cc(cc(c1Br)C)N LS10235 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.22 Cc1cc(cc(c1Br)C)O LS10335 [0,2,0,0,0,0|1,0,0]=3 429 B10R1.22 Cc1cc(cc(c1F)C)Br LS11480 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.22 Cc1cc(cc(c1F)C)N LS10283 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.22 Cc1cc(cc(c1I)C)Br LS11360 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.22 Cc1cc(cc(c1N)Br)Cl LS10240 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.22 Cc1cc(cc(c1N)C)Br LS11479 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.22 c1c(cc(c(c1Br)N)Br)Br LS11450 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.22 c1c(cc(c(c1Br)N)Br)F LS10354 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.22 c1c(cc(c(c1Br)O)Br)Br LS11449 [0,2,0,0,0,0|1,0,0]=3 437 B10R1.22 c1c(cc(c(c1Br)O)Br)Cl LS11339 [0,2,0,0,0,0|1,0,0]=3 438 B10R1.22 c1c(cc(c(c1Br)O)Br)F LS10774 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.22 c1c(cc(c(c1Cl)F)Br)F LS10050 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.22 c1c(cc(c(c1Cl)F)Cl)Br LS10574 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.22 c1c(cc(c(c1Cl)N)Br)Cl LS10342 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.22 c1c(cc(c(c1Cl)N)Cl)F LS10352 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl LS11505 [0,2,0,0,0,0|1,0,0]=3 444 B10R1.22 c1c(cc(c(c1Cl)O)Cl)F LS11491 [0,2,0,0,0,0|1,0,0]=3 445 B10R1.22 c1c(cc(c(c1F)Br)F)N LS10480 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.22 c1c(cc(c(c1F)Cl)F)Br LS10576 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.22 c1c(cc(c(c1F)F)Br)N LS11817 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.22 c1c(cc(c(c1F)F)F)O LS10470 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.22 c1c(cc(c(c1F)N)Cl)F LS10655 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.22 c1c(cc(c(c1F)N)F)Cl LS10383 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.22 c1c(cc(c(c1F)N)F)F LS11425 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.22 c1c(cc(c(c1F)N)F)I LS10286 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.22 c1c(cc(c(c1F)N)I)I LS10109 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.22 c1c(cc(c(c1F)O)F)N LS10349 [0,2,0,0,0,0|1,0,0]=3 455 B10R1.22 c1c(cc(c(c1N)Cl)F)F LS10384 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.22 c1c(cc(c(c1N)F)F)F LS10447 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.22 c1c(cc(c(c1O)O)F)Cl LS10081 [0,2,0,0,0,0|1,0,0]=3 458 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [0,2,0,0,0,0|1,0,0]=3 459 B10R1.30 COc1cc(ccc1Br)Br LS10232 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.30 COc1cc(ccc1Cl)I LS10238 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.30 COc1cc(ccc1F)F LS11368 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.30 COc1cc(ccc1F)N LS10127 [0,2,0,0,0,0|2,0,0]=4 463 B10R1.30 COc1cc(ccc1F)O LS10037 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.30 COc1cc(ccc1I)Cl LS10237 [0,2,0,0,0,0|2,0,0]=4 465 B10R1.30 COc1cc(ccc1N)Br LS10476 [0,2,0,0,0,0|2,0,0]=4 466 B10R1.30 COc1cc(ccc1N)I LS10552 [0,2,0,0,0,0|2,0,0]=4 467 B10R1.30 Cc1ccc(c(c1)C#N)F LS10446 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [0,2,0,0,0,0|2,0,0]=4 472 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [0,2,0,0,0,0|1,0,0]=3 473 B10R1.30 c1cc(c(cc1Br)CCl)Cl LS10048 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.30 c1cc(c(cc1Br)NN)Br LS11316 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [0,2,0,0,0,0|1,0,0]=3 477 B10R1.30 c1cc(c(cc1Cl)NN)F LS10281 [0,2,0,0,0,0|2,0,0]=4 478 B10R1.30 c1cc(c(cc1F)C#N)Br LS10364 [0,2,0,0,0,0|2,0,0]=4 479 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [0,2,0,0,0,0|1,0,0]=3 481 B10R1.30 c1cc(c(cc1F)CBr)Br LS10492 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.30 c1cc(c(cc1F)CCl)Br LS10493 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.30 c1cc(c(cc1F)CO)Br LS10490 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.30 c1cc(c(cc1I)C#N)Cl LS10438 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [0,2,0,0,0,0|1,0,0]=3 486 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [0,2,0,0,0,0|1,0,0]=3 487 B10R1.118 Cc1cc(c(cc1Br)C)Cl LS10616 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.118 Cc1cc(c(cc1Br)F)N LS10414 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.118 Cc1cc(c(cc1Cl)F)N LS10381 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.118 Cc1cc(c(cc1O)N)Cl LS11398 [0,2,0,0,0,0|1,0,0]=3 491 B10R1.118 c1c(c(cc(c1Br)Br)Br)Br LS00040 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.118 c1c(c(cc(c1F)Br)Br)F LS11362 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.118 c1c(c(cc(c1F)F)N)N LS10293 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.118 c1c(c(cc(c1N)O)O)N LS40770 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.119 Cc1c(c(ccc1O)O)C LS40492 [0,2,0,0,0,0|0,0,0]=2 496 B10R1.119 Cc1c(ccc(c1N)N)F LS10773 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.119 Cc1ccc(c(c1O)Cl)N LS10462 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.119 c1cc(c(c(c1Br)F)F)Br LS10084 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.119 c1cc(c(c(c1N)Br)F)Br LS10055 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.119 c1cc(c(c(c1N)F)Cl)Cl LS10025 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.119 c1cc(c(c(c1N)F)Cl)O LS10192 [0,2,0,0,0,0|1,0,0]=3 502 B10R1.119 c1cc(c(c(c1N)F)F)Br LS10551 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.119 c1cc(c(c(c1N)F)F)O LS10350 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.119 c1cc(c(c(c1N)I)Cl)Br LS10566 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.119 c1cc(c(c(c1N)N)F)F LS10541 [0,2,0,0,0,0|2,0,0]=4 506 B6R1.2 Cc1cccs1 LS20640 [1,0,0,0,1,0|2,0,0]=4 507 B6R1.2 c1cc(sc1)Br LS20644 [1,0,0,0,1,0|2,0,0]=4 508 B6R1.2 c1cc(sc1)Cl LS21132 [1,0,0,0,1,0|2,0,0]=4 509 B6R1.2 c1cc(sc1)S LS21100 [1,0,0,0,1,0|1,1,0]=4 510 B6R1.2 c1cocc1Br LS20289 [1,0,0,0,1,0|2,0,0]=4 511 B6R1.2 c1cscc1Br LS20645 [1,0,0,0,1,0|2,0,0]=4