0 B9R1.69 Cc1c(cc(cn1)Br)Br LS20041 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 Cc1c(ccc(n1)Br)Br LS20405 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 Cc1c(ccc(n1)Br)F LS20735 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 Cc1c(ccc(n1)Br)N LS20743 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.69 Cc1c(ccc(n1)Cl)Br LS20733 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.69 Cc1c(ccc(n1)Cl)F LS20355 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.69 Cc1c(ccc(n1)Cl)N LS20510 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 Cc1c(ccc(n1)N)Br LS20737 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.69 Cc1c(ccc(n1)N)F LS20851 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.69 Cc1c(ccc(n1)O)Br LS20736 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.69 Cc1cc(c(=O)[nH]c1)N LS20003 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 Cc1cc(c(nc1)Br)Br LS20386 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 Cc1cc(c(nc1)Br)C LS20029 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.69 Cc1cc(c(nc1)Br)N LS20369 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 Cc1cc(c(nc1)C)C LS20056 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.69 Cc1cc(c(nc1)Cl)F LS20093 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 Cc1cc(c(nc1)Cl)N LS20551 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 Cc1cc(c(nc1)F)I LS20636 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 Cc1cc(c(nc1)N)Br LS20448 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 Cc1cc(ccc1Br)F LS10433 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.69 Cc1cc(ccc1Br)O LS10569 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.69 Cc1cc(ccc1F)N LS10454 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.69 Cc1cc(ccc1O)Br LS10229 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.69 Cc1cc(cnc1Br)Br LS20558 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.69 Cc1cc(cnc1Br)Cl LS20774 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.69 Cc1cc(cnc1Br)F LS20363 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.69 Cc1cc(cnc1Cl)F LS20354 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.69 Cc1cc(cnc1F)N LS20741 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.69 Cc1cc(cnc1F)O LS20344 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.69 Cc1cc(cnc1N)Br LS20513 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.69 Cc1cc(cnc1O)Br LS20335 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.69 Cc1cc(ncc1Br)F LS20411 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.69 Cc1cc(ncc1Br)N LS20447 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.69 Cc1cc(ncc1Cl)N LS20372 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.69 Cc1cc(ncc1N)Br LS20366 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.69 Cc1ccc(c(n1)Br)F LS20415 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.69 Cc1ccc(c(n1)Cl)Br LS20497 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.69 Cc1ccc(c(n1)Cl)N LS20511 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.69 Cc1ccc(c(n1)F)Br LS20349 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.69 Cc1ccc(c(n1)N)Br LS20734 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.69 Cc1ccc(c(n1)N)I LS21037 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.69 Cc1ccc(cc1Br)Br LS10325 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.69 Cc1ccc(cc1Br)F LS10434 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.69 Cc1ccc(cc1Cl)F LS10431 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.69 Cc1ccc(cc1F)N LS10457 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.69 Cc1ccc(cc1N)Br LS10331 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.69 Cc1ccc(cc1N)F LS10455 [0,0,0,0,0,0|2,0,0]=2 57 B9R1.69 Cc1ccc(nc1Cl)Cl LS20613 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.69 Cc1cnc(cc1Cl)Cl LS21148 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.69 Cc1cnc(cc1I)F LS20495 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.69 Cc1cnc(nc1Cl)Cl LS20390 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.69 c1c(c(cnc1Cl)F)I LS20356 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.69 c1c(c(cnc1F)Cl)I LS20084 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.69 c1c(cnc(c1Br)Cl)Br LS20362 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.69 c1c(cnc(c1Br)Cl)N LS20556 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.69 c1c(cnc(c1Br)F)Br LS20214 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.69 c1c(cnc(c1Br)F)N LS20350 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.69 c1c(cnc(c1Br)O)F LS20211 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.69 c1c(cnc(c1Cl)Cl)Br LS20479 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.69 c1c(cnc(c1Cl)Cl)N LS20508 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.69 c1c(cnc(c1F)Br)F LS20400 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.69 c1c(cnc(c1F)Cl)Br LS20548 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.69 c1c(cnc(c1F)N)Cl LS20235 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.69 c1c(cnc(c1I)N)Br LS20269 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.69 c1c(cnc(c1N)Br)F LS20555 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.69 c1c(cnc(c1N)Cl)Br LS20557 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.69 c1c(cnc(c1N)Cl)Cl LS20380 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.69 c1c(cnc(c1N)F)Br LS20554 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.69 c1c(cnc(c1N)N)Br LS20387 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.69 c1c(cnc(c1N)O)Br LS20340 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.69 c1cc(c(cc1Br)Br)F LS10353 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.69 c1cc(c(cc1Br)Br)N LS11452 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.69 c1cc(c(cc1Br)Br)O LS11451 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.69 c1cc(c(cc1Br)Cl)Cl LS10687 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.69 c1cc(c(cc1Br)Cl)N LS11838 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.69 c1cc(c(cc1Br)F)Br LS11494 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.69 c1cc(c(cc1Br)F)N LS11405 [0,0,0,0,0,0|3,0,0]=3 87 B9R1.69 c1cc(c(cc1Br)I)F LS11632 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.69 c1cc(c(cc1Br)I)N LS10333 [0,0,0,0,0,0|3,0,0]=3 89 B9R1.69 c1cc(c(cc1Br)N)Br LS11325 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.69 c1cc(c(cc1Br)N)Cl LS10371 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.69 c1cc(c(cc1Br)N)N LS00002 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [0,0,0,0,0,0|3,0,0]=3 95 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [0,0,0,0,0,0|3,0,0]=3 96 B9R1.69 c1cc(c(cc1Cl)Br)O LS11737 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.69 c1cc(c(cc1Cl)Cl)Br LS11198 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.69 c1cc(c(cc1Cl)Cl)F LS11569 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.69 c1cc(c(cc1Cl)I)N LS10340 [0,0,0,0,0,0|3,0,0]=3 100 B9R1.69 c1cc(c(cc1Cl)N)Br LS10347 [0,0,0,0,0,0|3,0,0]=3 101 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [0,0,0,0,0,0|3,0,0]=3 103 B9R1.69 c1cc(c(cc1F)Br)N LS11175 [0,0,0,0,0,0|3,0,0]=3 104 B9R1.69 c1cc(c(cc1F)Br)O LS10461 [0,0,0,0,0,0|3,0,0]=3 105 B9R1.69 c1cc(c(cc1F)Cl)S LS10397 [0,0,0,0,0,0|3,0,0]=3 106 B9R1.69 c1cc(c(cc1F)N)Br LS10452 [0,0,0,0,0,0|3,0,0]=3 107 B9R1.69 c1cc(c(cc1F)N)O LS10399 [0,0,0,0,0,0|3,0,0]=3 108 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [0,0,0,0,0,0|3,0,0]=3 109 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [0,0,0,0,0,0|3,0,0]=3 110 B9R1.69 c1cc(c(cc1I)Cl)Br LS10093 [0,0,0,0,0,0|3,0,0]=3 111 B9R1.69 c1cc(c(cc1I)F)N LS10451 [0,0,0,0,0,0|3,0,0]=3 112 B9R1.69 c1cc(c(cc1N)Br)Cl LS10236 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.69 c1cc(c(cc1N)Br)F LS10387 [0,0,0,0,0,0|3,0,0]=3 114 B9R1.69 c1cc(c(cc1N)Cl)Cl LS11577 [0,0,0,0,0,0|3,0,0]=3 115 B9R1.69 c1cc(c(cc1N)Cl)F LS11518 [0,0,0,0,0,0|3,0,0]=3 116 B9R1.69 c1cc(c(cc1N)F)I LS10449 [0,0,0,0,0,0|3,0,0]=3 117 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [0,0,0,0,0,0|3,0,0]=3 118 B9R1.69 c1cc(c(cc1O)Br)Cl LS10344 [0,0,0,0,0,0|2,0,0]=2 119 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [0,0,0,0,0,0|2,0,0]=2 120 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [0,0,0,0,0,0|2,0,0]=2 121 B9R1.69 c1cc(c(cc1O)Cl)Br LS10343 [0,0,0,0,0,0|2,0,0]=2 122 B9R1.69 c1cc(c(cc1O)Cl)N LS11520 [0,0,0,0,0,0|2,0,0]=2 123 B9R1.69 c1cc(c(cc1O)F)N LS00146 [0,0,0,0,0,0|2,0,0]=2 124 B9R1.69 c1cc(c(cc1O)F)O LS00052 [0,0,0,0,0,0|2,0,0]=2 125 B9R1.69 c1cc(c(cc1O)N)F LS10007 [0,0,0,0,0,0|2,0,0]=2 126 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [0,0,0,0,0,0|2,0,0]=2 127 B9R1.69 c1cc(c(cc1S)Cl)F LS10394 [0,0,0,0,0,0|2,1,0]=3 128 B9R1.69 c1cc(nc(c1N)Cl)Cl LS20713 [0,0,0,0,0,0|4,0,0]=4 129 B9R1.69 c1cc(nc(c1N)N)Cl LS20019 [0,0,0,0,0,0|4,0,0]=4 130 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [1,0,0,0,0,0|1,0,1]=3 131 B8R1.3 Cc1ccc(cc1)Cl LS11416 [1,0,0,0,0,0|1,0,0]=2 132 B8R1.3 Cc1ccc(cn1)Br LS20399 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.3 Cc1ccc(nc1)Br LS20538 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.3 Cc1ccc(nc1)Cl LS20543 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.3 Cc1ccc(nn1)Cl LS21118 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.3 Cc1cnc(cn1)N LS20063 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.3 c1c(cnc(n1)O)Br LS21235 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [1,0,0,0,0,0|2,0,1]=4 139 B8R1.3 c1cc(ccc1Br)I LS11203 [1,0,0,0,0,0|2,0,0]=3 140 B8R1.3 c1cc(ccc1F)F LS11211 [1,0,0,0,0,0|2,0,0]=3 141 B8R1.3 c1cc(ccc1N)Br LS11446 [1,0,0,0,0,0|2,0,0]=3 142 B8R1.3 c1cc(ccc1N)I LS11481 [1,0,0,0,0,0|2,0,0]=3 143 B8R1.3 c1cc(ccc1O)Br LS11445 [1,0,0,0,0,0|1,0,0]=2 144 B8R1.3 c1cc(ccc1O)F LS10647 [1,0,0,0,0,0|1,0,0]=2 145 B8R1.3 c1cc(ccc1O)I LS10366 [1,0,0,0,0,0|1,0,0]=2 146 B8R1.3 c1cc(ncc1Br)Br LS21029 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.3 c1cc(ncc1Br)Cl LS20547 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.3 c1cc(ncc1Br)F LS20408 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.3 c1cc(ncc1Br)I LS20184 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.3 c1cc(ncc1Cl)Br LS20546 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.3 c1cc(ncc1Cl)Cl LS20534 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.3 c1cc(ncc1Cl)F LS20537 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.3 c1cc(ncc1F)Br LS20585 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.3 c1cc(ncc1F)F LS20951 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.3 c1cc(ncc1F)N LS20484 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.3 c1cc(ncc1F)O LS20722 [1,0,0,0,0,0|2,0,0]=3 157 B8R1.3 c1cc(ncc1I)Cl LS20455 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.3 c1cc(ncc1I)F LS20342 [1,0,0,0,0,0|3,0,0]=4 159 B8R1.3 c1cc(ncc1I)N LS20442 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.3 c1cc(ncc1N)Cl LS20443 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.3 c1cc(ncc1N)F LS20550 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.3 c1cc(ncc1N)O LS20334 [1,0,0,0,0,0|2,0,0]=3 163 B8R1.3 c1cc(ncc1O)F LS20343 [1,0,0,0,0,0|2,0,0]=3 164 B8R1.3 c1cc(ncc1O)N LS20718 [1,0,0,0,0,0|2,0,0]=3 165 B8R1.4 Cc1cc(cnc1)Br LS20401 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.4 Cc1cc(cnc1)C LS41253 [1,0,0,0,0,0|2,0,0]=3 167 B8R1.4 Cc1cc(ncn1)Cl LS20096 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.4 Cc1cccc(n1)Br LS20561 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.4 Cc1cccc(n1)Cl LS20527 [1,0,0,0,0,0|2,0,0]=3 170 B8R1.4 Cc1ccnc(c1)Br LS20539 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.4 Cc1ccnc(c1)Cl LS20535 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.4 Cc1ccnc(c1)F LS20532 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.4 Cc1ccnc(n1)Cl LS20314 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.4 Cc1ccnc(n1)O LS20077 [1,0,0,0,0,0|2,0,0]=3 175 B8R1.4 Cc1nccc(n1)Cl LS20043 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.4 c1c(cncc1Br)Br LS20981 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.4 c1c(cncc1Br)N LS20949 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.4 c1c(cncc1Cl)Cl LS20213 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.4 c1c(cncc1F)O LS20013 [1,0,0,0,0,0|2,0,0]=3 180 B8R1.4 c1cc(cc(c1)Br)N LS10546 [1,0,0,0,0,0|2,0,0]=3 181 B8R1.4 c1cc(cc(c1)F)F LS10472 [1,0,0,0,0,0|2,0,0]=3 182 B8R1.4 c1cc(cc(c1)F)O LS11397 [1,0,0,0,0,0|1,0,0]=2 183 B8R1.4 c1cc(cc(c1)I)Br LS11202 [1,0,0,0,0,0|2,0,0]=3 184 B8R1.4 c1cc(cc(c1)I)N LS10554 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.4 c1cc(cc(c1)S)O LS11830 [1,0,0,0,0,0|1,0,0]=2 186 B8R1.4 c1cc(nc(c1)Br)Cl LS20266 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.4 c1cc(nc(c1)Br)F LS20210 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.4 c1cc(nc(c1)Br)N LS21036 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.4 c1cc(nc(c1)Cl)N LS20252 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [1,0,0,0,0,0|2,0,0]=3 191 B8R1.4 c1cc(nc(c1)F)F LS20009 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.4 c1cnc(cc1Br)Br LS20383 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.4 c1cnc(cc1Br)Cl LS20559 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.4 c1cnc(cc1Br)F LS20514 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.4 c1cnc(cc1Br)N LS20124 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.4 c1cnc(cc1Br)O LS20336 [1,0,0,0,0,0|2,0,0]=3 197 B8R1.4 c1cnc(cc1Cl)Cl LS21157 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.4 c1cnc(cc1Cl)N LS20373 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.4 c1cnc(cc1F)Cl LS20357 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.4 c1cnc(cc1I)Br LS20183 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.4 c1cnc(cc1I)Cl LS20424 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.4 c1cnc(cc1I)F LS20204 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.4 c1cnc(cc1N)Br LS20188 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.4 c1cnc(cc1N)Cl LS20509 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.4 c1cnc(cc1O)Cl LS20425 [1,0,0,0,0,0|2,0,0]=3 206 B8R1.4 c1cnc(cc1O)N LS20319 [1,0,0,0,0,0|2,0,0]=3 207 B8R1.5 Cc1c(cccn1)Br LS20529 [1,0,0,0,0,0|2,0,0]=3 208 B8R1.5 Cc1c(cccn1)F LS00100 [1,0,0,0,0,0|2,0,0]=3 209 B8R1.5 Cc1c(cccn1)O LS20321 [1,0,0,0,0,0|2,0,0]=3 210 B8R1.5 Cc1c(cncn1)Br LS20023 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.5 Cc1c(cncn1)Cl LS21219 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.5 Cc1c(nccn1)Cl LS20451 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.5 Cc1ccccc1Cl LS11417 [1,0,0,0,0,0|1,0,0]=2 214 B8R1.5 Cc1cccnc1Br LS20246 [1,0,0,0,0,0|2,0,0]=3 215 B8R1.5 Cc1cccnc1F LS20403 [1,0,0,0,0,0|2,0,0]=3 216 B8R1.5 Cc1cccnc1N LS20579 [1,0,0,0,0,0|2,0,0]=3 217 B8R1.5 Cc1cccnc1O LS20286 [1,0,0,0,0,0|2,0,0]=3 218 B8R1.5 Cc1ccncc1Br LS20222 [1,0,0,0,0,0|2,0,0]=3 219 B8R1.5 Cc1ccncc1F LS20260 [1,0,0,0,0,0|2,0,0]=3 220 B8R1.5 Cc1ccncc1N LS20500 [1,0,0,0,0,0|2,0,0]=3 221 B8R1.5 Cc1cnccc1Br LS20316 [1,0,0,0,0,0|2,0,0]=3 222 B8R1.5 Cc1cnccc1Cl LS20243 [1,0,0,0,0,0|2,0,0]=3 223 B8R1.5 Cc1cncnc1Cl LS20953 [1,0,0,0,0,0|3,0,0]=4 224 B8R1.5 Cn1ccccc1=O LS40391 [1,0,0,0,0,0|2,0,0]=3 225 B8R1.5 c1cc(c(nc1)Br)Br LS20191 [1,0,0,0,0,0|3,0,0]=4 226 B8R1.5 c1cc(c(nc1)Br)F LS20948 [1,0,0,0,0,0|3,0,0]=4 227 B8R1.5 c1cc(c(nc1)Br)N LS20186 [1,0,0,0,0,0|3,0,0]=4 228 B8R1.5 c1cc(c(nc1)Cl)Cl LS20542 [1,0,0,0,0,0|3,0,0]=4 229 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [1,0,0,0,0,0|3,0,0]=4 230 B8R1.5 c1cc(c(nc1)Cl)I LS20536 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.5 c1cc(c(nc1)F)Br LS20414 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.5 c1cc(c(nc1)F)F LS20846 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.5 c1cc(c(nc1)I)N LS20187 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.5 c1cc(c(nc1)N)Br LS20925 [1,0,0,0,0,0|3,0,0]=4 235 B8R1.5 c1cc(c(nc1)N)F LS20418 [1,0,0,0,0,0|3,0,0]=4 236 B8R1.5 c1cc(c(nc1)N)N LS20494 [1,0,0,0,0,0|3,0,0]=4 237 B8R1.5 c1cc[n+](c(c1)Cl)[O-] LS21129 [1,0,0,0,0,0|3,0,0]=4 238 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [1,0,0,0,0,0|2,0,0]=3 239 B8R1.5 c1ccc(c(c1)Br)I LS10473 [1,0,0,0,0,0|2,0,0]=3 240 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [1,0,0,0,0,0|2,0,0]=3 241 B8R1.5 c1ccc(c(c1)N)Br LS11448 [1,0,0,0,0,0|2,0,0]=3 242 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [1,0,0,0,0,0|2,0,0]=3 243 B8R1.5 c1ccc(c(c1)N)I LS10537 [1,0,0,0,0,0|2,0,0]=3 244 B8R1.5 c1ccc(c(c1)O)Br LS11447 [1,0,0,0,0,0|2,0,0]=3 245 B8R1.5 c1ccc(c(c1)O)F LS10471 [1,0,0,0,0,0|2,0,0]=3 246 B8R1.5 c1ccc(c(c1)O)I LS00004 [1,0,0,0,0,0|2,0,0]=3 247 B8R1.5 c1ccn(c(=O)c1)O LS21131 [1,0,0,0,0,0|3,0,0]=4 248 B8R1.5 c1cncc(c1Br)Cl LS20493 [1,0,0,0,0,0|3,0,0]=4 249 B8R1.5 c1cncc(c1Cl)Cl LS20322 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.5 c1cncc(c1N)F LS20317 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.5 c1cncc(c1N)N LS00018 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.22 Cc1c(cc(cc1Cl)N)Cl LS10547 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.22 Cc1cc(cc(c1Br)C)N LS10235 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.22 Cc1cc(cc(c1Br)C)O LS10335 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.22 Cc1cc(cc(c1F)C)Br LS11480 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.22 Cc1cc(cc(c1F)C)N LS10283 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.22 Cc1cc(cc(c1I)C)Br LS11360 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.22 Cc1cc(cc(c1N)Br)Cl LS10240 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.22 Cc1cc(cc(c1N)C)Br LS11479 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.22 c1c(cc(c(c1Br)N)Br)Br LS11450 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.22 c1c(cc(c(c1Br)N)Br)F LS10354 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.22 c1c(cc(c(c1Br)O)Br)Br LS11449 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.22 c1c(cc(c(c1Br)O)Br)Cl LS11339 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.22 c1c(cc(c(c1Br)O)Br)F LS10774 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.22 c1c(cc(c(c1Cl)F)Br)F LS10050 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.22 c1c(cc(c(c1Cl)F)Cl)Br LS10574 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.22 c1c(cc(c(c1Cl)N)Br)Cl LS10342 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.22 c1c(cc(c(c1Cl)N)Cl)F LS10352 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl LS11505 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.22 c1c(cc(c(c1Cl)O)Cl)F LS11491 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.22 c1c(cc(c(c1F)Br)F)N LS10480 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.22 c1c(cc(c(c1F)Cl)F)Br LS10576 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.22 c1c(cc(c(c1F)F)Br)N LS11817 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.22 c1c(cc(c(c1F)F)F)O LS10470 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.22 c1c(cc(c(c1F)N)Cl)F LS10655 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.22 c1c(cc(c(c1F)N)F)Cl LS10383 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.22 c1c(cc(c(c1F)N)F)F LS11425 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.22 c1c(cc(c(c1F)N)F)I LS10286 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.22 c1c(cc(c(c1F)N)I)I LS10109 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.22 c1c(cc(c(c1F)O)F)N LS10349 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.22 c1c(cc(c(c1N)Cl)F)F LS10384 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.22 c1c(cc(c(c1N)F)F)F LS10447 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.22 c1c(cc(c(c1O)O)F)Cl LS10081 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.25 COc1c(cc(cn1)Br)Br LS20333 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.25 COc1c(cc(cn1)Br)Cl LS00025 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.25 COc1c(cc(cn1)Br)F LS20011 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.25 COc1c(cc(cn1)Cl)Br LS20332 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.25 COc1c(cc(cn1)N)Br LS20553 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.25 COc1ccc(cc1Br)N LS10092 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.25 COc1ccc(cc1F)N LS10107 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.25 COc1ccc(cc1F)O LS10467 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.25 COc1ccc(cc1I)N LS10132 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.25 COc1cnc(nc1O)O LS20708 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.25 Cc1c(ccc(n1)Br)C#N LS20364 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.25 Cc1cc(ccc1C#N)Br LS10274 [0,1,0,0,0,0|1,0,1]=3 296 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [0,1,0,0,0,0|1,0,1]=3 297 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [0,1,0,0,0,0|0,0,1]=2 298 B10R1.25 Cc1cc(ncc1C#N)Br LS20365 [0,1,0,0,0,0|2,0,1]=4 299 B10R1.25 Cc1cc(ncc1C#N)N LS20370 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.25 c1cc(c(cc1Br)Cl)C#N LS11359 [0,1,0,0,0,0|2,0,1]=4 302 B10R1.25 c1cc(c(cc1Br)F)C#N LS11209 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.25 c1cc(c(cc1Cl)N)C#N LS11442 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [0,1,0,0,0,0|2,0,1]=4 311 B10R1.25 c1cc(c(cc1F)Cl)C#N LS10355 [0,1,0,0,0,0|2,0,1]=4 312 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [0,1,0,0,0,0|2,0,1]=4 313 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.25 c1cc(c(cc1I)F)C#N LS11208 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.25 c1cc(c(cc1N)F)C#N LS11207 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.25 c1cc(c(cc1O)Cl)C#N LS10262 [0,1,0,0,0,0|1,0,1]=3 317 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [0,1,0,0,0,0|1,0,1]=3 318 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [0,1,0,0,0,0|1,0,0]=2 319 B10R1.30 COc1cc(ccc1Br)Br LS10232 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.30 COc1cc(ccc1Cl)I LS10238 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.30 COc1cc(ccc1F)F LS11368 [0,1,0,0,0,0|2,0,0]=3 322 B10R1.30 COc1cc(ccc1F)N LS10127 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.30 COc1cc(ccc1F)O LS10037 [0,1,0,0,0,0|1,0,0]=2 324 B10R1.30 COc1cc(ccc1I)Cl LS10237 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.30 COc1cc(ccc1N)Br LS10476 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.30 COc1cc(ccc1N)I LS10552 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.30 Cc1ccc(c(c1)C#N)F LS10446 [0,1,0,0,0,0|2,0,1]=4 328 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.30 c1c(cnc(c1CO)N)Br LS20257 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [0,1,0,0,0,0|2,0,1]=4 334 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [0,1,0,0,0,0|2,0,1]=4 335 B10R1.30 c1cc(c(cc1Br)CCl)Cl LS10048 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.30 c1cc(c(cc1Br)NN)Br LS11316 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [0,1,0,0,0,0|2,0,1]=4 339 B10R1.30 c1cc(c(cc1Cl)NN)F LS10281 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.30 c1cc(c(cc1F)C#N)Br LS10364 [0,1,0,0,0,0|2,0,1]=4 341 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [0,1,0,0,0,0|2,0,1]=4 342 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [0,1,0,0,0,0|2,0,1]=4 343 B10R1.30 c1cc(c(cc1F)CBr)Br LS10492 [0,1,0,0,0,0|2,0,0]=3 344 B10R1.30 c1cc(c(cc1F)CCl)Br LS10493 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.30 c1cc(c(cc1F)CO)Br LS10490 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.30 c1cc(c(cc1I)C#N)Cl LS10438 [0,1,0,0,0,0|2,0,1]=4 347 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [0,1,0,0,0,0|2,0,1]=4 348 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [0,1,0,0,0,0|1,0,1]=3 349 B10R1.118 Cc1cc(c(cc1Br)C)Cl LS10616 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.118 Cc1cc(c(cc1Br)F)N LS10414 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.118 Cc1cc(c(cc1Cl)F)N LS10381 [0,1,0,0,0,0|2,0,0]=3 352 B10R1.118 Cc1cc(c(cc1O)N)Cl LS11398 [0,1,0,0,0,0|2,0,0]=3 353 B10R1.118 c1c(c(cc(c1Br)Br)Br)Br LS00040 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.118 c1c(c(cc(c1F)Br)Br)F LS11362 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.118 c1c(c(cc(c1F)F)N)N LS10293 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.118 c1c(c(cc(c1N)O)O)N LS40770 [0,1,0,0,0,0|2,0,0]=3 357 B10R1.119 Cc1c(c(ccc1O)O)C LS40492 [0,1,0,0,0,0|1,0,0]=2 358 B10R1.119 Cc1c(ccc(c1N)N)F LS10773 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.119 Cc1c(cnc(c1Br)Cl)Br LS20074 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.119 Cc1c(cnc(c1Br)F)Br LS20075 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.119 Cc1c(cnc(c1Br)N)Br LS20376 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.119 Cc1ccc(c(c1O)Cl)N LS10462 [0,1,0,0,0,0|2,0,0]=3 363 B10R1.119 c1cc(c(c(c1Br)F)F)Br LS10084 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.119 c1cc(c(c(c1N)Br)F)Br LS10055 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.119 c1cc(c(c(c1N)F)Cl)Cl LS10025 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.119 c1cc(c(c(c1N)F)Cl)O LS10192 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.119 c1cc(c(c(c1N)F)F)Br LS10551 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.119 c1cc(c(c(c1N)F)F)O LS10350 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.119 c1cc(c(c(c1N)I)Cl)Br LS10566 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.119 c1cc(c(c(c1N)N)F)F LS10541 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.176 COc1ccc(c(c1)Br)Cl LS11200 [0,1,0,0,0,0|2,0,0]=3 372 B10R1.176 COc1ccc(c(c1)Br)N LS10024 [0,1,0,0,0,0|2,0,0]=3 373 B10R1.176 COc1ccc(c(c1)I)N LS10038 [0,1,0,0,0,0|2,0,0]=3 374 B10R1.176 COc1ccc(c(c1)N)Br LS11669 [0,1,0,0,0,0|2,0,0]=3 375 B10R1.176 COc1ccc(c(c1)N)F LS10016 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.176 Cc1c(ccc(n1)OC)Br LS20326 [0,1,0,0,0,0|2,0,0]=3 377 B10R1.176 Cc1c(ccc(n1)OC)F LS20325 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.176 Cc1c(ccc(n1)OC)N LS20506 [0,1,0,0,0,0|2,0,0]=3 379 B10R1.176 Cc1c(ccc(n1)OC)N LS20740 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.176 Cc1cc(ccc1Br)C#N LS00135 [0,1,0,0,0,0|2,0,0]=3 381 B10R1.176 Cc1cc(ccc1Cl)C#N LS10009 [0,1,0,0,0,0|2,0,0]=3 382 B10R1.176 Cc1cc(cnc1N)C#N LS20371 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.176 Cc1cc(ncc1Br)OC LS20327 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.176 Cc1cc(ncc1N)OC LS20328 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [0,1,0,0,0,0|0,0,1]=2 386 B10R1.176 Cc1ccc(cc1F)C#N LS10444 [0,1,0,0,0,0|2,0,0]=3 387 B10R1.176 c1cc(c(cc1C#N)Cl)Br LS10143 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.176 c1cc(c(cc1C#N)F)Br LS10276 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.176 c1cc(c(cc1C#N)N)N LS10415 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [0,1,0,0,0,0|2,0,1]=4 392 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [0,1,0,0,0,0|2,0,1]=4 396 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [0,1,0,0,0,0|2,0,1]=4 397 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [0,1,0,0,0,0|2,0,1]=4 398 B10R1.176 c1cc(c(cc1CN)Cl)Cl LS11225 [0,1,0,0,0,0|3,0,0]=4 399 B8R1.18 Cc1c(oc(n1)C)C LS20281 [0,0,0,0,1,0|3,0,0]=4 400 B8R1.50 CN1C(=O)C=CC1=O LS40580 [0,0,0,0,1,0|2,0,1]=4 401 B7R1.3 c1cc(cnc1)Br LS20426 [2,0,0,0,0,0|2,0,0]=4 402 B7R1.3 c1cc(cnc1)F LS20779 [2,0,0,0,0,0|2,0,0]=4 403 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [2,0,0,0,0,0|1,0,1]=4 404 B7R1.3 c1ccnc(c1)Br LS20874 [2,0,0,0,0,0|2,0,0]=4 405 B7R1.3 c1ccnc(c1)F LS20778 [2,0,0,0,0,0|2,0,0]=4 406 B7R1.3 c1ccnc(c1)N LS20582 [2,0,0,0,0,0|2,0,0]=4 407 B7R1.3 c1cnccc1F LS40545 [2,0,0,0,0,0|2,0,0]=4 408 B7R1.3 c1cnccc1N LS20499 [2,0,0,0,0,0|2,0,0]=4 409 B7R1.3 c1cnccc1O LS21099 [2,0,0,0,0,0|1,0,0]=3 410 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.1 CCc1ccc(cc1)F LS11765 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.1 CCc1ccc(cn1)Br LS21179 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.1 COc1ccc(cc1)O LS10474 [1,1,0,0,0,0|0,0,0]=2 415 B9R1.1 COc1ccc(cc1)S LS11831 [1,1,0,0,0,0|0,1,0]=3 416 B9R1.1 COc1ccc(cn1)Br LS21039 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.1 COc1ccc(cn1)F LS20238 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 COc1ccc(cn1)N LS20615 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.1 COc1ccc(nc1)Cl LS20524 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.1 Cc1ccc(cc1)C#C LS10578 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.1 Cc1ccc(cc1)CBr LS11264 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.1 Cc1ccc(cc1)CN LS11220 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.1 Cc1ccc(cc1)CO LS11273 [1,1,0,0,0,0|0,0,0]=2 424 B9R1.1 Cc1ccc(nc1)C#N LS20218 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.1 Cc1ccc(nc1)OC LS20323 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.1 c1cc(ccc1C#N)Br LS11574 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.1 c1cc(ccc1C#N)F LS10440 [1,1,0,0,0,0|1,0,1]=4 428 B9R1.1 c1cc(ccc1C#N)N LS10115 [1,1,0,0,0,0|1,0,1]=4 429 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.1 c1cc(ccc1CBr)Br LS11427 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.1 c1cc(ccc1CBr)F LS10228 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.1 c1cc(ccc1CBr)I LS11269 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.1 c1cc(ccc1CO)I LS11275 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.1 c1cc(ccc1CO)N LS10779 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.1 c1cc(ccc1NN)F LS10358 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.1 c1cc(ncc1Br)CO LS20572 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.1 c1cc(ncc1CO)N LS40930 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.2 C#Cc1cccc(c1)N LS10320 [1,1,0,0,0,0|1,0,1]=4 440 B9R1.2 C=Cc1cccc(c1)Br LS11651 [1,1,0,0,0,0|1,0,1]=4 441 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [1,1,0,0,0,0|1,0,1]=4 442 B9R1.2 C=Cc1cccc(c1)F LS11648 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.2 CNc1cccc(c1)Cl LS10187 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.2 COc1cc(ccn1)Br LS21151 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.2 COc1cc(ccn1)Cl LS20320 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.2 COc1cc(ccn1)N LS20329 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.2 COc1cccc(n1)Cl LS20709 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.2 COc1cccc(n1)N LS20232 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.2 Cc1cccc(c1)C=O LS11853 [1,1,0,0,0,0|0,0,1]=3 450 B9R1.2 Cc1cccc(c1)CBr LS11263 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.2 Cc1cccc(c1)CCl LS11215 [1,1,0,0,0,0|1,0,0]=3 452 B9R1.2 Cc1cccc(c1)CN LS11219 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.2 Cc1cccc(n1)CO LS20207 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.2 c1cc(cc(c1)F)CO LS11387 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [1,1,0,0,0,0|1,0,1]=4 457 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [1,1,0,0,0,0|0,0,1]=3 459 B9R1.2 c1cnc(cc1CO)N LS21015 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.3 Cc1c(cccc1Br)F LS11797 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.3 Cc1c(cccc1Br)N LS00021 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.3 Cc1c(cccc1Cl)N LS11413 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.3 Cc1c(cccc1F)N LS10456 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.3 Cc1c(cccc1F)O LS11582 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.3 Cc1c(cccc1O)N LS11805 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.3 Cc1c(cccc1O)O LS10121 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.3 Cc1cccc(c1C)Br LS11762 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.3 Cc1cccc(c1F)O LS10317 [1,1,0,0,0,0|0,0,0]=2 469 B9R1.3 Cc1cccc(c1I)F LS10535 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.3 Cc1cccc(c1N)Cl LS10715 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.3 Cc1cccc(c1N)F LS10282 [1,1,0,0,0,0|1,0,0]=3 472 B9R1.3 Cc1cccc(c1O)Cl LS10669 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.3 Cc1ccnc(c1Br)Cl LS20496 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.3 Cc1ccnc(c1N)Br LS20512 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl LS11372 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.3 c1cc(c(c(c1)Br)Cl)O LS10087 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.3 c1cc(c(c(c1)Br)F)N LS10570 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.3 c1cc(c(c(c1)Br)N)Br LS11641 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.3 c1cc(c(c(c1)Br)O)Br LS11453 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl LS11199 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.3 c1cc(c(c(c1)Cl)Cl)O LS11389 [1,1,0,0,0,0|1,0,0]=3 482 B9R1.3 c1cc(c(c(c1)Cl)F)F LS10287 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.3 c1cc(c(c(c1)Cl)F)O LS10395 [1,1,0,0,0,0|1,0,0]=3 484 B9R1.3 c1cc(c(c(c1)Cl)I)N LS10555 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.3 c1cc(c(c(c1)Cl)O)Cl LS10077 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.3 c1cc(c(c(c1)Cl)O)F LS10396 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.3 c1cc(c(c(c1)F)Br)N LS10453 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.3 c1cc(c(c(c1)F)Cl)N LS11496 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.3 c1cc(c(c(c1)F)Cl)O LS10193 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.3 c1cc(c(c(c1)F)I)N LS10450 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.3 c1cc(c(c(c1)F)O)F LS11403 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.3 c1cc(c(c(c1)F)O)O LS10021 [1,1,0,0,0,0|1,0,0]=3 493 B9R1.3 c1cc(c(c(c1)I)Cl)Cl LS11545 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.3 c1cc(c(c(c1)I)N)Cl LS00034 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.3 c1cc(c(c(c1)I)O)O LS10698 [1,1,0,0,0,0|1,0,0]=3 496 B9R1.3 c1cc(c(c(c1)O)F)O LS10311 [1,1,0,0,0,0|1,0,0]=3 497 B9R1.3 c1cc(c(c(c1)O)N)O LS11761 [1,1,0,0,0,0|1,0,0]=3 498 B9R1.3 c1cc(c(c(c1)O)N)O LS11782 [1,1,0,0,0,0|1,0,0]=3 499 B9R1.34 Cc1cc(cc(=O)[nH]1)O LS40012 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.34 Cc1cc(cc(=O)o1)O LS40924 [1,1,0,0,0,0|1,0,0]=3 501 B9R1.34 Cc1cc(cc(c1)Br)O LS10313 [1,1,0,0,0,0|0,0,0]=2 502 B9R1.34 Cc1cc(cc(c1)I)C LS11748 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.34 Cc1cc(nc(c1)Cl)C LS20404 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.34 Cc1cc(nc(c1)Cl)Cl LS20377 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.34 Cc1cc(nc(c1)N)C LS20569 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.34 Cc1cc(nc(n1)S)O LS20666 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.34 c1c(cc(cc1Br)Br)Br LS11454 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.34 c1c(cc(cc1Br)Br)N LS10618 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.34 c1c(cc(cc1Cl)Br)Cl LS10341 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.34 c1c(cc(cc1Cl)Cl)O LS10337 [1,1,0,0,0,0|1,0,0]=3 511 B9R1.34 c1c(cc(cc1F)Cl)N LS00042 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.34 c1c(cc(cc1F)F)F LS11673 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.34 c1c(cc(cc1F)F)N LS10767 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.34 c1c(cc(cc1F)F)O LS10458 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.15 C=Cc1ccccc1Br LS11653 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,1,0,0,0,0|1,0,1]=4 517 B9R1.15 C=Cc1ccccc1F LS11647 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.15 CNc1ccccc1Br LS11478 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.15 CNc1ccccc1F LS10646 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.15 COc1c(cccn1)I LS20331 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.15 COc1cccnc1Br LS20368 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.15 CSc1ccccc1Br LS11369 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.15 Cc1ccccc1C#C LS11393 [1,1,0,0,0,0|0,0,1]=3 524 B9R1.15 Cc1ccccc1C=O LS11852 [1,1,0,0,0,0|0,0,1]=3 525 B9R1.15 Cc1ccccc1CBr LS11262 [1,1,0,0,0,0|0,0,0]=2 526 B9R1.15 Cc1ccccc1CN LS11218 [1,1,0,0,0,0|0,0,0]=2 527 B9R1.15 Cc1ccccc1CO LS11274 [1,1,0,0,0,0|0,0,0]=2 528 B9R1.15 Cc1ccncc1C#N LS20001 [1,1,0,0,0,0|1,0,1]=4 529 B9R1.15 c1cc(c(nc1)CO)O LS20165 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.15 c1cc(c(nc1)Cl)CO LS20227 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.15 c1cc(c(nc1)N)CO LS41435 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [1,1,0,0,0,0|1,0,1]=4 533 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,1,0,0,0,0|1,0,1]=4 535 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [1,1,0,0,0,0|1,0,0]=3 538 B9R1.15 c1ccc(c(c1)CO)F LS11270 [1,1,0,0,0,0|1,0,0]=3 539 B9R1.15 c1ccc(c(c1)CO)I LS11276 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.15 c1ccc(c(c1)CO)N LS10594 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.15 c1ccc(c(c1)NN)F LS11539 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.14 Cc1cc(cc(c1Br)C)C=O LS11284 [0,2,0,0,0,0|1,0,1]=4 544 B11R1.464 Cc1cc(c(c(c1)C)C=O)C LS10375 [0,2,0,0,0,0|1,0,1]=4 545 B11R1.464 Cc1cc(cc(c1C#N)C)O LS11717 [0,2,0,0,0,0|0,0,1]=3 546 B11R1.464 Cc1cc(cc(c1C#N)Cl)Cl LS11642 [0,2,0,0,0,0|1,0,1]=4 547 B11R1.464 Cc1cc(cc(c1C=O)Br)F LS10511 [0,2,0,0,0,0|1,0,1]=4 548 B11R1.464 Cc1cc(cc(c1C=O)C)O LS10368 [0,2,0,0,0,0|0,0,1]=3 549 B11R1.464 Cc1cc(cc(c1OC)C)Br LS10411 [0,2,0,0,0,0|1,0,0]=3 550 B11R1.464 c1c(cc(c(c1F)CO)F)Br LS11307 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.37 COc1cc(ccc1C#N)Br LS10144 [0,2,0,0,0,0|1,0,1]=4 552 B11R1.37 COc1cc(ccc1C=O)F LS10599 [0,2,0,0,0,0|1,0,1]=4 553 B11R1.37 COc1ccc(cc1C=O)Cl LS10412 [0,2,0,0,0,0|1,0,1]=4 554 B11R1.37 c1cc(c(cc1O)C#N)C#N LS10062 [0,2,0,0,0,0|0,0,2]=4 555 B11R1.81 CCOc1ccc(cc1N)N LS11503 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.81 CNCc1ccc(cc1Cl)Cl LS10751 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.81 c1cc(c(cc1Cl)Cl)CCN LS11233 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.81 c1cc(c(cc1Cl)Cl)CCO LS11244 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.81 c1cc(c(cc1Cl)F)CC#N LS10623 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.166 B(c1ccc(cc1C)C)(O)O LS10933 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.166 B(c1ccc(cc1C)Cl)(O)O LS11030 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.166 B(c1ccc(cc1C)F)(O)O LS11036 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.166 B(c1ccc(cc1C)O)(O)O LS11044 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.166 CN(C)c1ccc(cc1Cl)Br LS10231 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] LS20738 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [0,2,0,0,0,0|1,0,1]=4 570 B11R1.166 Cc1cc(ccc1C(C)C)O LS10720 [0,2,0,0,0,0|0,0,0]=2 571 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F LS11421 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])O LS20746 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O LS11739 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] LS00120 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.166 c1cc(c(cc1O)I)[N+](=O)[O-] LS10155 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.166 c1cc(c(cc1O)O)C(=O)N LS10714 [0,2,0,0,0,0|1,0,1]=4 577 B11R1.277 COc1cc(c(cc1Cl)Cl)N LS10683 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.277 Cc1cc(c(cc1Br)F)C=O LS10510 [0,2,0,0,0,0|1,0,1]=4 579 B11R1.277 Cc1cc(c(cc1F)Br)C=O LS10656 [0,2,0,0,0,0|1,0,1]=4 580 B11R1.277 Cc1cc(c(cc1F)F)C#N LS10212 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.277 Cc1cc(c(cc1O)C)C=O LS10195 [0,2,0,0,0,0|0,0,1]=3 582 B11R1.277 c1c(c(cc(c1F)F)O)C=O LS10186 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.279 COc1ccc(c(c1)F)C=O LS10504 [0,2,0,0,0,0|1,0,1]=4 584 B11R1.279 COc1ccc(c(c1)F)C=O LS11583 [0,2,0,0,0,0|1,0,1]=4 585 B11R1.279 COc1ccc(c(c1)F)NN LS10185 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.279 COc1ccc(cc1O)C#N LS11706 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.279 COc1ccc(cc1O)C=O LS10550 [0,2,0,0,0,0|1,0,1]=4 590 B11R1.167 B(c1cc(ccc1C)C)(O)O LS10937 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.167 B(c1cc(ccc1C)Cl)(O)O LS11051 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.167 B(c1cc(ccc1C)F)(O)O LS11054 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.167 CC(=O)c1cc(ccc1Br)Cl LS11579 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.167 CC(=O)c1cc(ccc1Br)F LS10365 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.167 CC(=O)c1cc(ccc1F)Br LS10106 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.167 CC(=O)c1cc(ccc1I)F LS10113 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.167 Cc1ccc(cc1C(=O)O)Br LS10562 [0,2,0,0,0,0|1,0,1]=4 599 B11R1.167 Cc1ccc(cc1C(=O)O)F LS10582 [0,2,0,0,0,0|1,0,1]=4 600 B11R1.167 Cc1ccc(cc1C(=O)O)I LS11399 [0,2,0,0,0,0|1,0,1]=4 601 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl LS10692 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O LS10704 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.167 c1cc(c(cc1O)C(=O)O)F LS10475 [0,2,0,0,0,0|1,0,1]=4 604 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F LS10130 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N LS10710 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.280 CCc1cc(ccc1N)C#N LS10564 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.280 COc1cc(ccc1F)C=O LS10503 [0,2,0,0,0,0|1,0,1]=4 608 B11R1.280 COc1cc(ccc1O)C#N LS11702 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.280 COc1cc(ccc1O)CN LS11401 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.21 B(c1ccc(c(c1)C)C)(O)O LS10947 [0,2,0,0,0,0|0,0,0]=2 611 B11R1.21 B(c1ccc(c(c1)C)F)(O)O LS11041 [0,2,0,0,0,0|1,0,0]=3 612 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O LS11005 [0,2,0,0,0,0|1,0,0]=3 613 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O LS10944 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.21 B(c1ccc(c(c1)Cl)F)(O)O LS11001 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O LS11002 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.21 B(c1ccc(c(c1)F)C)(O)O LS11014 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O LS11032 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.21 B(c1ccc(c(c1)F)F)(O)O LS10945 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.21 B(c1ccc(c(c1)N)C)(O)O LS10990 [0,2,0,0,0,0|1,0,0]=3 620 B11R1.21 B(c1ccc(c(c1)N)F)(O)O LS10989 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] LS10563 [0,2,0,0,0,0|1,0,1]=4 622 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] LS10652 [0,2,0,0,0,0|1,0,1]=4 623 B11R1.21 Cc1ccc(cc1Br)C(=O)O LS10330 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] LS10327 [0,2,0,0,0,0|1,0,1]=4 625 B11R1.21 Cc1ccc(cc1Cl)C(=O)O LS10663 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.21 Cc1ccc(cc1F)C(=O)O LS10532 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] LS10437 [0,2,0,0,0,0|1,0,1]=4 628 B11R1.21 c1cc(c(cc1C(=O)O)F)F LS11167 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.192 CCOc1ccc(c(c1)Cl)Br LS11311 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.192 c1cc(c(cc1CCO)Cl)Cl LS11246 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.192 c1cc(c(cc1CCO)Cl)F LS11250 [0,2,0,0,0,0|2,0,0]=4 632 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [0,1,0,1,0,0|0,0,2]=4 633 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [0,1,0,1,0,0|0,0,2]=4 634 B11R2.36 c1cc2c(cc1Br)CCN2 LS20952 [0,1,0,1,0,0|1,0,0]=3 635 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [0,1,0,1,0,0|1,0,0]=3 636 B11R2.36 c1cc2c(cc1Br)CNC2 LS20867 [0,1,0,1,0,0|1,0,0]=3 637 B11R2.36 c1cc2c(cc1Br)NCC2 LS20158 [0,1,0,1,0,0|1,0,0]=3 638 B11R2.36 c1cc2c(cc1Cl)CCN2 LS20157 [0,1,0,1,0,0|1,0,0]=3 639 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [0,1,0,1,0,0|1,0,0]=3 640 B11R2.36 c1cc2c(cc1N)CNC2 LS40052 [0,1,0,1,0,0|1,0,0]=3 641 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [0,1,0,1,0,0|1,0,1]=4 642 B7R1.2 Cc1cc(cs1)Br LS20656 [1,0,0,0,1,0|2,0,0]=4 643 B7R1.2 Cc1ccc(s1)Br LS20655 [1,0,0,0,1,0|2,0,0]=4 644 B7R1.2 Cc1ccc(s1)C LS20641 [1,0,0,0,1,0|2,0,0]=4 645 B7R1.2 Cc1ccc(s1)Cl LS20653 [1,0,0,0,1,0|2,0,0]=4 646 B7R1.4 Cc1ccsc1Br LS20654 [1,0,0,0,1,0|2,0,0]=4 647 B7R1.4 Cc1ccsc1Cl LS20652 [1,0,0,0,1,0|2,0,0]=4