0 B11R1.166 B(c1ccc(cc1C)C)(O)O LS10933 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.166 B(c1ccc(cc1Cl)C)(O)O LS11410 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.166 B(c1ccc(cc1F)C)(O)O LS10981 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.166 CN(C)c1ccc(cc1Cl)Br LS10231 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.166 Cc1cc(ccc1C(C)C)O LS10720 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] LS10436 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O LS10716 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 c1cc(c(cc1F)O)C(=O)O LS11396 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.166 c1cc(c(cc1O)O)C(=O)N LS10714 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.25 COc1ccc(cc1Br)N LS10092 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.25 COc1ccc(cc1F)N LS10107 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.25 COc1ccc(cc1F)O LS10467 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.25 COc1ccc(cc1I)N LS10132 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.61 B(c1ccccc1O)(O)O LS10799 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.61 CN(C)c1ccccc1Br LS10558 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.61 CN(C)c1ccccc1Cl LS10168 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.61 CN(C)c1ccccc1F LS10242 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.452 CC(=O)c1ccc(cc1F)OC LS11613 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.452 CN(C)c1ccc(cc1Cl)[N+]#N LS40442 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.1703 COC(=O)c1ccc(cc1O)O LS10726 [0,1,0,0,0,0|2,0,1]=4 39 B12R2.612 CC1c2ccc(cc2CN1)Br LS40061 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.612 c1cc2c(cc1O)OCC2=O LS21028 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.1 CCc1ccc(cc1)F LS11765 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.1 CCc1ccc(cn1)Br LS21179 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.1 COc1ccc(cc1)O LS10474 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 COc1ccc(cc1)S LS11831 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 Cc1ccc(cc1)C#C LS10578 [2,0,0,0,0,0|0,0,2]=4 46 B9R1.1 Cc1ccc(cc1)CBr LS11264 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.1 Cc1ccc(cc1)CN LS11220 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.1 Cc1ccc(cc1)CO LS11273 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.1 Cc1ccc(nc1)OC LS20323 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.1 c1cc(ccc1CBr)Br LS11427 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.1 c1cc(ccc1CBr)F LS10228 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 c1cc(ccc1CBr)I LS11269 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 c1cc(ccc1CO)I LS11275 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.1 c1cc(ccc1CO)N LS10779 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.6 C[C@H](c1ccccc1)N LS30099 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.15 CNc1ccccc1Br LS11478 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 CNc1ccccc1F LS10646 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 CSc1ccccc1Br LS11369 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.15 Cc1ccccc1CBr LS11262 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 Cc1ccccc1CN LS11218 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.15 Cc1ccccc1CO LS11274 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 c1cc(c(nc1)CO)O LS20165 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [2,0,0,0,0,0|1,0,1]=4 66 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.15 c1ccc(c(c1)CO)F LS11270 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 c1ccc(c(c1)CO)I LS11276 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.15 c1ccc(c(c1)CO)N LS10594 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.69 Cc1cc(c(nc1)C)C LS20056 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.69 Cc1ccc(cc1Br)Br LS10325 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.69 Cc1ccc(cc1Br)F LS10434 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.69 Cc1ccc(cc1Cl)F LS10431 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.69 Cc1ccc(cc1F)N LS10457 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.69 Cc1ccc(cc1N)Br LS10331 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.69 Cc1ccc(cc1N)F LS10455 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [1,1,0,0,0,0|0,0,2]=4 96 B11R1.3 CN(C)c1ccc(cc1)C=O LS10650 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.3 CN(C)c1ccc(cc1)OC LS10085 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.3 C[C@@H](c1ccc(cc1)OC)N LS30183 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.3 C[C@H](c1ccc(cc1)OC)N LS30182 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.19 CC(C)(C)c1ccc(cc1)Br LS11196 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.19 CC(C)(c1ccc(cc1)Br)O LS11332 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.81 CCOc1ccc(cc1N)N LS11503 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.81 CNCc1ccc(cc1Cl)Cl LS10751 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.81 c1cc(c(cc1Cl)Cl)CCN LS11233 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.81 c1cc(c(cc1Cl)Cl)CCO LS11244 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.279 COc1ccc(cc1O)C#N LS11706 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.279 COc1ccc(cc1O)C=O LS10550 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.159 CC(c1cccc(c1F)Br)O LS11305 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [1,1,0,0,0,0|1,0,1]=4 113 B11R2.36 c1cc2c(cc1Br)NCC2 LS20158 [1,0,0,1,0,0|2,0,0]=4 114 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [1,0,0,1,0,0|2,0,0]=4 115 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [1,0,0,1,0,0|2,0,0]=4 116 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [1,0,0,0,0,1|1,0,1]=4 117 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [1,0,0,0,0,1|1,0,1]=4 118 B11R1.74 Cc1cc(cc(c1)N(C)C)C LS11804 [0,0,0,0,1,1|2,0,0]=4