0 B11R2.1 c1ccc2c(c1)c(co2)Br AS06438 [1,0,0,0,0,0|1,0,0]=2 1 B11R2.1 c1ccc2c(c1)c(no2)Cl AS06286 [1,0,0,0,0,0|2,0,0]=3 2 B11R2.1 c1ccc2c(c1)c(no2)O AS06287 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 AS04548 [0,1,0,0,0,0|3,0,0]=4 4 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 AS06263 [0,1,0,0,0,0|3,0,0]=4 5 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 AS05050 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AS02428 [0,1,0,0,0,0|3,0,0]=4 7 B13R2.5190 Cc1nc2cc(ccc2n1C)F AS07075 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O AS01425 [0,0,1,0,0,0|2,0,1]=4 9 B11R1.41 CCOc1ccccc1C#N AS02393 [0,0,1,0,0,0|1,0,2]=4 10 B11R1.41 CCOc1ccccc1OC AS02564 [0,0,1,0,0,0|1,0,1]=3 11 B11R1.222 CCC(=O)c1ccccc1Cl AS06723 [0,0,1,0,0,0|2,0,1]=4 12 B11R1.222 CCC(C)c1ccccc1N AS05311 [0,0,1,0,0,0|1,0,2]=4 13 B11R1.222 COC(=O)c1ccccc1Br AS03615 [0,0,1,0,0,0|3,0,0]=4 14 B11R1.222 COC(=O)c1ccccc1Cl AS00094 [0,0,1,0,0,0|3,0,0]=4 15 B11R1.222 COC(=O)c1ccccc1F AS01317 [0,0,1,0,0,0|3,0,0]=4 16 B11R1.222 COC(=O)c1ccccc1I AS02316 [0,0,1,0,0,0|3,0,0]=4 17 B11R1.222 COC(=O)c1ccccc1N AS01236 [0,0,1,0,0,0|3,0,0]=4 18 B11R1.222 c1ccc(c(c1)C(=O)NN)O AS00900 [0,0,1,0,0,0|3,0,0]=4 19 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl AS06244 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.15 C=CC(=O)c1ccccc1 AS07048 [1,0,1,0,0,0|1,0,1]=4 21 B10R1.15 CCC(=O)c1ccccc1 AS01141 [1,0,1,0,0,0|1,0,1]=4 22 B10R1.15 CCC(C)c1ccccc1 AS05667 [1,0,1,0,0,0|0,0,2]=4 23 B10R1.15 c1ccc(cc1)C(=NO)N AS06646 [1,0,1,0,0,0|2,0,0]=4 24 B10R1.18 CC(Cc1ccccc1)O AS07220 [1,0,1,0,0,0|0,0,2]=4 25 B10R1.18 c1ccc(cc1)OC(=O)Cl AS01233 [1,0,1,0,0,0|2,0,0]=4 26 B10R1.17 CCCOc1ccccc1 AS01111 [1,0,1,0,0,0|0,0,2]=4 27 B10R1.4 CCOc1ccccc1Br AS03446 [1,0,1,0,0,0|1,0,1]=4 28 B10R1.4 CCOc1ccccc1C AS07155 [1,0,1,0,0,0|0,0,1]=3 29 B10R1.4 CCOc1ccccc1F AS02636 [1,0,1,0,0,0|1,0,1]=4 30 B10R1.4 CCOc1ccccc1N AS01513 [1,0,1,0,0,0|1,0,1]=4 31 B10R1.20 CCc1ccccc1C=O AS04433 [1,0,1,0,0,0|1,0,1]=4 32 B10R1.20 CCc1ccccc1OC AS02573 [1,0,1,0,0,0|0,0,1]=3 33 B10R1.20 COc1ccccc1CCl AS05988 [1,0,1,0,0,0|1,0,1]=4 34 B10R1.20 COc1ccccc1CO AS03989 [1,0,1,0,0,0|1,0,1]=4 35 B10R1.20 COc1ccccc1NN AS02474 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.20 COc1ccccc1NN AS06157 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.20 COc1ccccc1OC AS06960 [1,0,1,0,0,0|1,0,0]=3 38 B10R1.20 COc1ccccc1SC AS04294 [1,0,1,0,0,0|1,0,0]=3 39 B10R1.20 c1ccc(c(c1)C=O)C=O AS03002 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.61 CC(=O)c1ccccc1Br AS01164 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.61 CC(=O)c1ccccc1Cl AS01142 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.61 CC(=O)c1ccccc1F AS01129 [1,0,1,0,0,0|2,0,0]=4 43 B10R1.61 CC(=O)c1ccccc1I AS03911 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.61 CC(=O)c1ccccc1O AS01159 [1,0,1,0,0,0|1,0,0]=3 45 B10R1.61 CC(C)c1ccccc1Br AS05661 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.61 CN(C)c1ccccc1F AS05364 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.61 C[C@H](c1ccccc1O)N AS06796 [1,0,1,0,0,0|1,0,1]=4 48 B10R2.7 c1cc2cc[nH]c2nc1 AS07114 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.20 c1cc(ccc1C(=O)C(=O)O)Cl AS06628 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.478 COC(c1ccccc1)C(=O)O AS04652 [0,1,1,0,0,0|1,0,1]=4 51 B12R1.75 CC(=O)Nc1ccccc1OC AS00985 [0,1,1,0,0,0|2,0,0]=4 52 B12R1.112 CCOc1ccc(cc1C=O)Br AS03794 [0,1,1,0,0,0|1,0,1]=4 53 B12R1.121 COc1ccccc1OCCBr AS04182 [0,1,1,0,0,0|1,0,1]=4 54 B12R1.283 CCOc1ccccc1C(=O)O AS02554 [0,1,1,0,0,0|1,0,1]=4 55 B12R1.24 COC(=O)c1cccc(c1O)O AS01308 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.354 COC(=O)c1cc(ccc1O)Br AS03674 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.354 COC(=O)c1cc(ccc1O)Cl AS02955 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.354 COC(=O)c1cc(ccc1O)F AS00902 [0,1,1,0,0,0|2,0,0]=4 59 B12R1.354 COC(=O)c1cc(ccc1O)I AS02315 [0,1,1,0,0,0|2,0,0]=4 60 B12R1.354 COC(=O)c1cc(ccc1O)O AS01309 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.1703 CCC(=O)c1ccc(cc1O)O AS07000 [0,1,1,0,0,0|1,0,1]=4 62 B12R1.1703 COC(=O)c1ccc(cc1O)Br AS03632 [0,1,1,0,0,0|2,0,0]=4 63 B12R1.1703 COC(=O)c1ccc(cc1O)F AS01320 [0,1,1,0,0,0|2,0,0]=4 64 B12R1.1703 COC(=O)c1ccc(cc1O)I AS02314 [0,1,1,0,0,0|2,0,0]=4 65 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 AS06367 [1,1,0,0,0,0|1,0,1]=4 66 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AS06459 [1,1,0,0,0,0|1,0,1]=4 67 B12R2.132 c1cc2c(cc1F)C(=O)CO2 AS06458 [1,1,0,0,0,0|1,0,1]=4 68 B12R2.196 Cn1cnc2c1cccc2Br AS06203 [1,1,0,0,0,0|2,0,0]=4 69 B12R2.612 Cn1ccc2c1ccc(c2)N AS07117 [1,1,0,0,0,0|2,0,0]=4 70 B12R2.612 Cn1cnc2c1ccc(c2)Br AS06493 [1,1,0,0,0,0|2,0,0]=4 71 B12R2.612 Cn1cnc2c1ccc(c2)F AS07072 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.612 c1cc2c(cc1Br)OCC2=O AS06368 [1,1,0,0,0,0|1,0,1]=4 73 B12R2.612 c1cc2c(cc1Br)onc2Cl AS06283 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.612 c1cc2c(cc1Cl)OCC2=O AS06461 [1,1,0,0,0,0|1,0,1]=4 75 B12R2.612 c1cc2c(cc1Cl)onc2O AS06205 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.612 c1cc2c(cc1F)OCC2=O AS06460 [1,1,0,0,0,0|1,0,1]=4 77 B12R2.612 c1cc2c(cc1O)OCC2=O AS06432 [1,1,0,0,0,0|1,0,1]=4 78 B12R2.606 Cc1[nH]c2ccc(cc2n1)F AS07081 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br AS06046 [1,1,0,0,0,0|1,0,0]=3 80 B12R2.606 Cc1cc2cc(ccc2[nH]1)F AS06056 [1,1,0,0,0,0|1,0,0]=3 81 B12R2.606 Cc1cc2ccc(cc2[nH]1)F AS06057 [1,1,0,0,0,0|1,0,0]=3 82 B12R2.606 c1cc2c(cc1Br)nc(o2)N AS06399 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.1815 Cc1nc2cc(ccc2n1C)C#N AS07074 [0,2,0,0,0,0|2,0,0]=4 84 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AS06210 [0,0,1,1,0,0|1,0,1]=4