0 B10R1.17 CCCOc1ccccc1 AS01111 [1,0,0,0,0,0|2,0,0]=3 1 B10R1.17 c1ccc(cc1)CCCBr AS03468 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.17 c1ccc(cc1)CN=C=S AS04379 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.17 c1ccc(cc1)NCCO AS00460 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.17 c1ccc(cc1)OCCBr AS03452 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.18 CC(Cc1ccccc1)O AS07220 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.49 COC(=O)Cc1ccc(cc1)O AS06110 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.50 COC(=O)Cc1cccc(c1)F AS06105 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.50 COC(=O)Cc1cccc(c1)N AS04587 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.50 COC(=O)Cc1cccc(c1)N AS06071 [0,1,0,0,0,0|2,0,1]=4 10 B12R2.18 c1ccc2c(c1)CC(C2O)Br AS03960 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.15 CC(CBr)c1ccccc1 AS03467 [0,0,0,0,1,0|2,0,0]=3 12 B10R1.15 CCC(=O)c1ccccc1 AS01141 [0,0,0,0,1,0|2,0,1]=4 13 B10R1.15 CCC(C)c1ccccc1 AS05667 [0,0,0,0,1,0|1,0,0]=2 14 B10R1.15 c1ccc(cc1)C(=O)NN AS01560 [0,0,0,0,1,0|2,0,1]=4 15 B12R1.27 COC(=O)CCc1ccccc1 AS06125 [0,0,0,0,0,1|2,0,1]=4 16 B9R1.8 c1ccc(cc1)CC#N AS01366 [2,0,0,0,0,0|0,0,2]=4 17 B9R1.8 c1ccc(cc1)CCCl AS00650 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.8 c1ccc(cc1)CCN AS00484 [2,0,0,0,0,0|0,0,0]=2 19 B9R1.8 c1ccc(cc1)CCO AS00558 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.8 c1ccc(cc1)CON AS04494 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.8 c1ccnc(c1)CCCl AS04932 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.1 CCCCc1ccc(cc1)Cl AS02834 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.1 CCCCc1ccc(cc1)I AS02288 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.1 CCCCc1ccc(cc1)I AS02333 [1,1,0,0,0,0|1,0,0]=3 25 B11R1.1 COCCc1ccc(cc1)O AS00207 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.17 CCCOc1ccccc1F AS00939 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.24 CCCOc1cccc(c1)F AS00940 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.24 c1cc(cc(c1)O)CCCO AS06749 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.28 CCCCOc1ccccc1 AS01104 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.28 c1ccc(cc1)CCN=C=O AS04375 [1,1,0,0,0,0|0,0,2]=4 31 B11R1.28 c1ccc(cc1)CNCC#N AS06325 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.28 c1ccc(cc1)OCCCBr AS03455 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.91 CC(=O)COc1ccccc1 AS05273 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.20 CC(=O)Cc1ccc(cc1)F AS05241 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.20 CC(C)Cc1ccc(cc1)Br AS05659 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.20 CC(C)Oc1ccc(cc1)N AS05394 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.20 CC(Oc1ccc(cc1)Br)Cl AS03451 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.86 CC(=O)Cc1ccccc1Br AS05236 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.86 CC(C)Oc1ccccc1Br AS03456 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.157 CC(=O)Cc1cccc(c1)Cl AS05237 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.157 CC(C)Oc1cccc(c1)Br AS01613 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.157 CC(C)Oc1cccc(c1)F AS00941 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.157 c1cc(cc(c1)Cl)CC(=O)N AS06809 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.509 CC(C)(Cc1ccccc1)N AS01627 [1,1,0,0,0,0|0,0,0]=2 46 B11R1.7 CC(C#C)(c1ccccc1)O AS01594 [0,1,0,0,1,0|1,0,1]=4 47 B11R1.23 CNC(=O)c1cccc(c1)N AS06601 [0,1,0,0,1,0|1,0,1]=4 48 B11R1.222 CCC(C)c1ccccc1N AS05311 [0,1,0,0,1,0|1,0,0]=3 49 B13R2.5190 Cc1nc2cc(ccc2n1C)F AS07075 [0,1,0,1,0,0|1,0,1]=4