0 B11R1.40 c1ccc(cc1)NC(=O)CBr AS00910 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 c1ccc(cc1)NC(=O)CCl AS02673 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 c1ccc(cc1)NC(=O)CF AS00823 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 c1ccc(cc1)C#CC=O AS06906 [1,0,0,0,0,0|0,0,2]=3 4 B10R1.18 CC(Cc1ccccc1)O AS07220 [1,0,0,0,0,0|0,0,3]=4 5 B10R1.18 c1ccc(cc1)OC(=O)Cl AS01233 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.43 CC(=Cc1ccccc1)[N+](=O)[O-] AS06241 [0,1,0,0,0,0|1,0,0]=2 7 B12R2.24 Cc1nc2ccccc2nn1 AS06650 [0,0,0,1,0,0|3,0,0]=4 8 B12R2.24 c1cc2cc(ccc2nc1)I AS06220 [0,0,0,1,0,0|3,0,0]=4 9 B12R2.24 c1ccc2cc(ccc2c1)Br AS02431 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.15 C=CC(=O)c1ccccc1 AS07048 [0,0,0,0,1,0|2,0,0]=3 11 B10R1.15 CC(CBr)c1ccccc1 AS03467 [0,0,0,0,1,0|1,0,2]=4 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|1,0,2]=4 14 B10R1.15 c1ccc(cc1)C(=NO)N AS06646 [0,0,0,0,1,0|2,0,1]=4 15 B10R1.15 c1ccc(cc1)C(=O)C#N AS04664 [0,0,0,0,1,0|2,0,1]=4 16 B10R1.15 c1ccc(cc1)C(=O)CBr AS01145 [0,0,0,0,1,0|2,0,1]=4 17 B10R1.15 c1ccc(cc1)C(=O)CCl AS01163 [0,0,0,0,1,0|2,0,1]=4 18 B10R1.15 c1ccc(cc1)C(=O)NN AS01560 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.8 c1ccc(cc1)N=C=O AS04076 [2,0,0,0,0,0|1,0,1]=4 20 B11R1.16 c1ccc(cc1)C(=O)N=C=O AS04369 [1,1,0,0,0,0|1,0,1]=4 21 B11R1.91 CC(=O)COc1ccccc1 AS05273 [1,1,0,0,0,0|1,0,1]=4 22 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [1,1,0,0,0,0|1,0,1]=4 23 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [1,1,0,0,0,0|0,0,0]=2 24 B11R1.20 CC(=O)Cc1ccc(cc1)F AS05241 [1,1,0,0,0,0|0,0,1]=3 25 B11R1.20 CC(=O)Nc1ccc(cc1)Br AS00912 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.20 CC(=O)Nc1ccc(cc1)Cl AS02675 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.20 CC(=O)Nc1ccc(cc1)F AS00825 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.20 CC(=O)Nc1ccc(cc1)I AS02201 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AS07036 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.20 CC(=O)Oc1ccc(cc1)F AS02347 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.20 Cc1ccc(cc1)NC(=O)C AS00879 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.20 c1cc(ccc1CC(=O)O)Br AS00507 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.20 c1cc(ccc1CC(=O)O)Cl AS05024 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.20 c1cc(ccc1CC(=O)O)F AS00530 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.20 c1cc(ccc1CC(=O)O)I AS00544 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] AS06245 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br AS06247 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O AS01425 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.86 CC(=O)Cc1ccccc1Br AS05236 [1,1,0,0,0,0|0,0,1]=3 40 B11R1.86 CC(=O)Nc1ccccc1I AS02199 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.86 CC(=O)Nc1ccccc1O AS00888 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.86 CC(=O)Oc1ccccc1Br AS02339 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.86 CC(=O)Oc1ccccc1F AS02345 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.86 CC(=O)Oc1ccccc1I AS02979 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.86 Cc1ccccc1NC(=O)C AS00877 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.86 c1ccc(c(c1)CC(=O)O)Br AS00524 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl AS05022 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.86 c1ccc(c(c1)CC(=O)O)F AS00497 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.86 c1ccc(c(c1)CC(=O)O)I AS00532 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.157 CC(=O)Cc1cccc(c1)Cl AS05237 [1,1,0,0,0,0|0,0,1]=3 51 B11R1.157 CC(=O)Nc1cccc(c1)Br AS00911 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.157 CC(=O)Nc1cccc(c1)Cl AS02674 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.157 CC(=O)Nc1cccc(c1)F AS00824 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.157 CC(=O)Nc1cccc(c1)I AS02200 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.157 CC(=O)Nc1cccc(c1)O AS00889 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.157 CC(=O)Oc1cccc(c1)Br AS02340 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.157 CC(=O)Oc1cccc(c1)Cl AS02343 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.157 CC(=O)Oc1cccc(c1)F AS02346 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.157 Cc1cccc(c1)CC(=O)O AS00531 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.157 Cc1cccc(c1)NC(=O)C AS00878 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.157 Cc1cccc(c1)OC(=O)C AS01252 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AS00508 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.157 c1cc(cc(c1)Cl)CC(=O)N AS06809 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AS05023 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.157 c1cc(cc(c1)F)CC(=O)O AS00520 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.157 c1cc(cc(c1)I)CC(=O)O AS00542 [1,1,0,0,0,0|1,0,1]=4 67 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O AS04609 [0,2,0,0,0,0|1,0,1]=4 68 B11R2.1 c1ccc2c(c1)c(co2)Br AS06438 [1,0,0,1,0,0|2,0,0]=4 69 B11R2.36 Cc1ccc2c(c1)cco2 AS06433 [0,0,0,1,1,0|2,0,0]=4 70 B11R2.36 Cc1ccc2ccsc2c1 AS06413 [0,0,0,1,1,0|2,0,0]=4 71 B13R2.15 Cc1c(c[nH]n1)c2ccccc2 AS06545 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.43 c1cc2c(cc1Br)cc(s2)C=O AS06397 [0,1,0,1,0,0|1,0,0]=3 73 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 AS04548 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 AS06263 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 AS05050 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.3683 c1cc(cc2c1cc(cc2)Br)F AS02460 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.3683 c1cc(cc2c1cc(cc2)Br)N AS02461 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AS02428 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [1,0,0,0,1,0|1,0,0]=3 80 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [1,0,0,0,1,0|1,0,0]=3 81 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [1,0,0,0,1,0|1,0,0]=3 82 B9R1.6 c1ccc(cc1)[N+](=O)[O-] AS01461 [1,0,0,0,1,0|2,0,0]=4