0 B11R2.36 Cc1ccc2c(c1)OCO2 AS01485 [0,0,0,1,0,0|2,0,1]=4 1 B11R2.36 Cc1ccc2c(c1)cco2 AS06433 [0,0,0,1,0,0|1,0,0]=2 2 B11R2.36 Cc1ccc2ccsc2c1 AS06413 [0,0,0,1,0,0|3,0,0]=4 3 B11R2.36 c1cc2c(cc[nH]2)cc1F AS02102 [0,0,0,1,0,0|2,0,1]=4 4 B11R2.36 c1cc2c(cco2)cc1Br AS06418 [0,0,0,1,0,0|1,0,1]=3 5 B11R2.36 c1cc2c(cco2)cc1Cl AS06428 [0,0,0,1,0,0|1,0,1]=3 6 B11R2.36 c1cc2c(cco2)cc1F AS06429 [0,0,0,1,0,0|1,0,1]=3 7 B11R2.36 c1cc2c(ccs2)cc1Br AS06396 [0,0,0,1,0,0|1,1,1]=4 8 B11R1.91 CC(=O)COc1ccccc1 AS05273 [0,0,0,0,0,1|2,0,1]=4 9 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [0,0,0,0,0,1|2,0,1]=4 10 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [0,0,0,0,0,1|2,0,0]=3 11 B12R1.21 c1cc(ccc1C=CC(=O)O)Br AS03178 [0,1,0,0,0,1|2,0,0]=4 12 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl AS02692 [0,1,0,0,0,1|2,0,0]=4 13 B12R1.21 c1cc(ccc1C=CC(=O)O)F AS01284 [0,1,0,0,0,1|2,0,0]=4 14 B12R1.21 c1cc(ccc1C=CC(=O)O)I AS02228 [0,1,0,0,0,1|2,0,0]=4 15 B12R1.21 c1cc(ccc1C=CC(=O)O)O AS03322 [0,1,0,0,0,1|2,0,0]=4 16 B12R1.125 Cc1ccccc1C=CC(=O)O AS00517 [0,1,0,0,0,1|2,0,0]=4 17 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Br AS03176 [0,1,0,0,0,1|2,0,0]=4 18 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl AS02690 [0,1,0,0,0,1|2,0,0]=4 19 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F AS01282 [0,1,0,0,0,1|2,0,0]=4 20 B12R1.125 c1ccc(c(c1)C=CC(=O)O)I AS02226 [0,1,0,0,0,1|2,0,0]=4 21 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O AS03177 [0,1,0,0,0,1|2,0,0]=4 22 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O AS02691 [0,1,0,0,0,1|2,0,0]=4 23 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01283 [0,1,0,0,0,1|2,0,0]=4 24 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01921 [0,1,0,0,0,1|2,0,0]=4 25 B12R1.226 c1cc(cc(c1)I)C=CC(=O)O AS02227 [0,1,0,0,0,1|2,0,0]=4 26 B10R1.61 CC(=O)c1c(cccn1)F AS04769 [0,0,1,1,0,0|2,0,0]=4 27 B10R1.61 CC(=O)c1ccccc1Br AS01164 [0,0,1,1,0,0|1,0,0]=3 28 B10R1.61 CC(=O)c1ccccc1Cl AS01142 [0,0,1,1,0,0|1,0,0]=3 29 B10R1.61 CC(=O)c1ccccc1F AS01129 [0,0,1,1,0,0|1,0,0]=3 30 B10R1.61 CC(=O)c1ccccc1I AS03911 [0,0,1,1,0,0|1,0,0]=3 31 B10R1.61 CC(=O)c1ccccc1O AS01159 [0,0,1,1,0,0|0,0,0]=2 32 B10R1.61 C[C@H](c1ccccc1O)N AS06796 [0,0,1,1,0,0|1,0,1]=4 33 B10R1.61 c1ccc(c(c1)C(=O)Cl)I AS00019 [0,0,1,1,0,0|2,0,0]=4 34 B10R1.61 c1ccc(c(c1)C(=O)N)Br AS00918 [0,0,1,1,0,0|2,0,0]=4 35 B10R1.61 c1ccc(c(c1)C(=O)N)Cl AS02678 [0,0,1,1,0,0|2,0,0]=4 36 B10R1.61 c1ccc(c(c1)C(=O)N)F AS00829 [0,0,1,1,0,0|2,0,0]=4 37 B10R1.61 c1ccc(c(c1)C(=O)N)I AS02212 [0,0,1,1,0,0|2,0,0]=4 38 B10R1.61 c1ccc(c(c1)C(=O)O)Br AS00760 [0,0,1,1,0,0|2,0,0]=4 39 B10R1.61 c1ccc(c(c1)C(=O)O)Cl AS00802 [0,0,1,1,0,0|2,0,0]=4 40 B10R1.61 c1ccc(c(c1)C(=O)O)F AS00814 [0,0,1,1,0,0|2,0,0]=4 41 B10R1.61 c1ccc(c(c1)C(=O)O)I AS02216 [0,0,1,1,0,0|2,0,0]=4 42 B10R1.61 c1ccc(c(c1)C(=O)[O-])F AS00773 [0,0,1,1,0,0|2,0,0]=4 43 B10R1.113 CC(=O)c1cccc(c1)Br AS01168 [0,0,1,1,0,0|1,0,0]=3 44 B10R1.113 CC(=O)c1cccc(c1)Cl AS03831 [0,0,1,1,0,0|1,0,0]=3 45 B10R1.113 CC(=O)c1cccc(c1)F AS01151 [0,0,1,1,0,0|1,0,0]=3 46 B10R1.113 CC(=O)c1cccc(c1)I AS04040 [0,0,1,1,0,0|1,0,0]=3 47 B10R1.113 CC(=O)c1cccc(c1)O AS01139 [0,0,1,1,0,0|0,0,0]=2 48 B10R1.113 Cc1cccc(c1)C(=O)C AS04042 [0,0,1,1,0,0|1,0,0]=3 49 B10R1.113 Cc1cccc(c1)C(=O)Cl AS01364 [0,0,1,1,0,0|2,0,0]=4 50 B10R1.113 Cc1cccc(c1)C(=O)O AS00863 [0,0,1,1,0,0|2,0,0]=4 51 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl AS00012 [0,0,1,1,0,0|2,0,0]=4 52 B10R1.113 c1cc(cc(c1)Br)C(=O)N AS00919 [0,0,1,1,0,0|2,0,0]=4 53 B10R1.113 c1cc(cc(c1)Br)C(=O)O AS01127 [0,0,1,1,0,0|2,0,0]=4 54 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl AS00014 [0,0,1,1,0,0|2,0,0]=4 55 B10R1.113 c1cc(cc(c1)Cl)C(=O)N AS02679 [0,0,1,1,0,0|2,0,0]=4 56 B10R1.113 c1cc(cc(c1)Cl)C(=O)O AS00810 [0,0,1,1,0,0|2,0,0]=4 57 B10R1.113 c1cc(cc(c1)F)C(=O)N AS00830 [0,0,1,1,0,0|2,0,0]=4 58 B10R1.113 c1cc(cc(c1)F)C(=O)O AS00742 [0,0,1,1,0,0|2,0,0]=4 59 B10R1.113 c1cc(cc(c1)F)C(=O)O AS01279 [0,0,1,1,0,0|2,0,0]=4 60 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] AS00777 [0,0,1,1,0,0|2,0,0]=4 61 B10R1.113 c1cc(cc(c1)I)C(=O)Cl AS00024 [0,0,1,1,0,0|2,0,0]=4 62 B10R1.113 c1cc(cc(c1)I)C(=O)N AS02213 [0,0,1,1,0,0|2,0,0]=4 63 B10R1.113 c1cc(cc(c1)I)C(=O)O AS02217 [0,0,1,1,0,0|2,0,0]=4 64 B10R1.113 c1cc(cc(c1)N)C(=O)N AS05882 [0,0,1,1,0,0|2,0,0]=4 65 B10R1.113 c1cc(cc(c1)N)C(=O)O AS00862 [0,0,1,1,0,0|2,0,0]=4 66 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] AS00219 [0,0,1,1,0,0|2,0,0]=4 67 B12R2.44 c1cc2c(cco2)cc1C#N AS06441 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.44 c1cc2c(cco2)cc1C=O AS06442 [0,1,0,1,0,0|0,0,1]=3 69 B12R2.246 Cc1cc(cc2c1occ2)Br AS06426 [0,1,0,1,0,0|1,0,1]=4 70 B12R2.246 Cc1cc2ccoc2c(c1)Br AS06431 [0,1,0,1,0,0|1,0,0]=3 71 B12R2.246 c1coc2c1cc(cc2Br)Br AS06435 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.246 c1coc2c1cc(cc2Br)Cl AS06425 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.246 c1coc2c1cc(cc2Br)F AS06419 [0,1,0,1,0,0|1,0,1]=4 74 B12R2.246 c1coc2c1cc(cc2Br)O AS06452 [0,1,0,1,0,0|0,0,2]=4 75 B12R2.246 c1coc2c1cc(cc2F)Br AS06423 [0,1,0,1,0,0|1,0,1]=4