0 B12R1.78 COc1ccc(cc1OC)CO LS10643 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.37 COc1cc(ccc1C#N)Br LS10144 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.37 COc1cc(ccc1C=O)F LS10599 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.37 COc1ccc(cc1C=O)Cl LS10412 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.279 COc1ccc(cc1O)C#N LS11706 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.279 COc1ccc(cc1O)C=O LS10550 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.280 COc1cc(ccc1F)C=O LS10503 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.280 COc1cc(ccc1O)C#N LS11702 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.280 COc1cc(ccc1O)CN LS11401 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.386 COc1ccc(cc1OC)CC#N LS10059 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.2200 COc1cc(c(cc1OC)Br)C=O LS10202 [0,1,0,0,0,0|0,0,0]=1 13 B13R1.2430 B(c1cc(ccc1OC)C=O)(O)O LS10986 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O LS10946 [0,1,0,0,0,0|1,0,1]=3 15 B13R2.57 c1cc2c(cc1C=O)OCCO2 LS00032 [0,0,0,1,0,0|0,0,0]=1 16 B10R1.20 COc1ccccc1CCl LS10029 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.20 COc1ccccc1OC LS11385 [2,0,0,0,0,0|0,0,0]=2 18 B10R1.25 COc1ccc(cc1Br)N LS10092 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.25 COc1ccc(cc1F)N LS10107 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.25 COc1ccc(cc1F)O LS10467 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.25 COc1ccc(cc1I)N LS10132 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.30 COc1cc(ccc1Br)Br LS10232 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.30 COc1cc(ccc1Cl)I LS10238 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.30 COc1cc(ccc1F)F LS11368 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.30 COc1cc(ccc1F)N LS10127 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.30 COc1cc(ccc1F)O LS10037 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.30 COc1cc(ccc1I)Cl LS10237 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.30 COc1cc(ccc1N)Br LS10476 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.30 COc1cc(ccc1N)I LS10552 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [2,0,0,0,0,0|0,0,0]=2 32 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [2,0,0,0,0,0|0,0,0]=2 40 B10R1.172 CCc1cccc(c1)C=O LS10374 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.172 c1cc(cc(c1)C#N)C=O LS11367 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.172 c1cc(cc(c1)C=O)C=O LS11856 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl LS20068 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] LS10761 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.48 COc1ccc(cc1N)C(=O)O LS11205 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.48 Cc1cc(ccc1C#N)C(=O)O LS00053 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] LS10772 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.288 COc1ccc(cc1O)CCN LS10775 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.450 c1c(c(cc(c1O)C=O)O)C=O LS11381 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O LS11021 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] LS00026 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] LS10410 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.56 COc1cc(ccc1N)C(=O)O LS11388 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.453 c1cc(c(cc1C=O)C(=O)O)O LS10658 [1,1,0,0,0,0|2,0,0]=4 55 B14R1.576 COc1cc(cc(c1OC)OC)C=O LS10216 [0,2,0,0,0,0|0,0,0]=2 56 B14R1.576 COc1cc(cc(c1OC)OC)CN LS10099 [0,2,0,0,0,0|1,0,1]=4 57 B14R1.576 COc1cc(cc(c1OC)OC)CO LS11662 [0,2,0,0,0,0|0,0,2]=4 58 B14R1.2282 COc1cc(c(cc1OC)OC)C=O LS10199 [0,2,0,0,0,0|0,0,0]=2 59 B12R2.44 c1cc2c(cc1C#N)OCO2 LS40634 [1,0,0,1,0,0|1,0,1]=4 60 B12R2.44 c1cc2c(cc1CN)OCO2 LS40613 [1,0,0,1,0,0|1,0,1]=4 61 B12R2.44 c1cc2c(cco2)cc1C=O LS40181 [1,0,0,1,0,0|0,0,2]=4 62 B14R2.781 B(c1ccc2c(c1)OCCO2)(O)O LS11058 [0,1,0,1,0,0|1,0,1]=4 63 B12R1.58 COc1cc(cc(c1)OC)C=O LS11617 [0,0,0,0,1,1|0,0,0]=2