0 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O H58200 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.35 c1c(ncs1)C[C@@H](C(=O)O)N H63511 [0,0,1,0,0,0|2,0,1]=4 2 B11R1.35 c1c(ncs1)C[C@H](C(=O)O)N H63946 [0,0,1,0,0,0|2,0,1]=4 3 B11R1.35 c1cc(sc1)C[C@@H](C(=O)O)N H63316 [0,0,1,0,0,0|1,0,2]=4 4 B11R1.35 c1cc(sc1)C[C@H](C(=O)O)N H63681 [0,0,1,0,0,0|1,0,2]=4 5 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O L16019 [0,0,0,0,0,1|2,0,1]=4 6 B13R2.430 c1cc2c(cc1C(=O)N)scn2 H34216 [0,0,0,0,0,1|2,0,0]=3 7 B13R2.430 c1cc2c(cc1C(=O)O)nc[nH]2 A15980 [0,0,0,0,0,1|2,0,0]=3 8 B13R2.430 c1cc2c(cc1C(=O)O)nsn2 H33095 [0,0,0,0,0,1|3,0,0]=4 9 B13R2.430 c1cc2c(cc1C(=O)O)scn2 H31868 [0,0,0,0,0,1|1,0,0]=2 10 B13R2.430 c1cc2c(cc1[N+](=O)[O-])ncs2 H33594 [0,0,0,0,0,1|2,0,1]=4 11 B13R2.430 c1cc2c(cc1[N+](=O)[O-])scn2 A10634 [0,0,0,0,0,1|2,0,1]=4 12 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O A18627 [0,0,0,0,0,1|2,0,1]=4 13 B13R2.430 c1cc2nccn2cc1C(=O)O H33128 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.435 c1cc2c(cc(o2)C(=O)O)nc1 H34400 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A18690 [0,0,0,0,0,1|2,0,0]=3 16 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O A15579 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O A12471 [0,0,0,0,0,1|3,0,0]=4 18 B10R1.66 CC(=O)\C=C\c1cccs1 B25191 [1,0,1,0,0,0|2,0,0]=4 19 B10R1.66 c1cc(oc1)\C=C\C(=O)O B21653 [1,0,1,0,0,0|1,1,0]=4 20 B10R1.66 c1cc(sc1)\C=C\C(=O)O A10342 [1,0,1,0,0,0|1,0,0]=3 21 B10R1.66 c1cocc1\C=C\C(=O)O L13143 [1,0,1,0,0,0|2,0,0]=4 22 B10R1.66 c1cscc1\C=C\C(=O)O B25017 [1,0,1,0,0,0|2,0,0]=4 23 B14R2.601 c1cc2c(cc1C(=O)O)sc(n2)N H31512 [0,1,0,0,0,1|1,0,0]=3 24 B14R2.624 Cc1cc2c(cc1C(=O)O)nc[nH]2 H25926 [0,1,0,0,0,1|2,0,0]=4 25 B14R2.972 COC(=O)c1cc2c([nH]1)cccn2 H34321 [0,1,0,0,0,1|2,0,0]=4 26 B14R2.972 COC(=O)c1cc2ccccc2[nH]1 H66609 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O L17145 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br H63799 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl H66864 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.4529 c1cc(nc2c1[nH]c(c2)C(=O)O)Cl H33628 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.4529 c1cc2c(cc1Br)cc([nH]2)C(=O)O H66396 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.4529 c1cc2c(cc1Cl)cc([nH]2)C(=O)O A18626 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O A12794 [0,1,0,0,0,1|2,0,0]=4 34 B14R2.4529 c1cc2c(cc1O)cc([nH]2)C(=O)O L00786 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.23 c1cc(sc1)C(=O)C(=O)O L05153 [0,0,1,0,1,0|2,0,0]=4 36 B12R1.125 c1cc(c(nc1)Cl)\C=C\C(=O)O H50051 [0,0,1,0,0,1|2,0,0]=4 37 B12R1.125 c1cc(c(nc1)N)\C=C\C(=O)O H50021 [0,0,1,0,0,1|1,0,0]=3 38 B12R1.125 c1cncc(c1N)\C=C\C(=O)O H51665 [0,0,1,0,0,1|2,0,0]=4 39 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O H54638 [1,0,0,0,0,1|2,0,0]=4 40 B14R2.781 c1cc2c(cc1C(=O)O)nccn2 H33157 [0,0,0,0,0,2|2,0,0]=4 41 B14R2.781 c1cc2cc(ccc2nc1)C(=O)O A18223 [0,0,0,0,0,2|2,0,0]=4