0 B10R1.58 c1c(c(sc1C(=O)O)Br)Br A2Z00080716 [0,0,0,0,0,0|1,1,0]=2 1 B9R1.23 Cc1c(nc([nH]1)C=O)C A2Z00050350 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.35 CC(=O)c1ccc(o1)Br A2Z00062313 [1,0,0,0,0,0|1,2,0]=4 3 B9R1.35 Cc1cc(n[nH]1)C(=O)O A2Z00046525 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.35 Cc1cc(ns1)C(=O)O A2Z00050333 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 Cc1cnc(o1)C(=O)O A2Z00050346 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.35 Cc1ncc(s1)C(=O)O A2Z00073992 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 Cn1cc(nn1)C(=O)O A2Z00061751 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.35 c1c([nH][nH]c1=O)C(=O)O A2Z00050177 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 c1c([nH]nc1O)C(=O)O A2Z00050449 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 c1c(n[nH]c1O)C(=O)O A2Z00096273 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 c1c(nc(s1)Cl)C(=O)O A2Z00085550 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 c1c(nc(s1)N)C(=O)O A2Z00085471 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 c1cc(oc1C(=O)O)Br A2Z00033998 [1,0,0,0,0,0|0,2,0]=3 14 B9R1.35 c1cc(sc1C(=O)O)Cl A2Z00095939 [1,0,0,0,0,0|0,0,0]=1 15 B11R1.672 Cc1c(sc(=O)n1C)C(=O)O A2Z00069309 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl A2Z00094298 [0,0,0,0,0,1|3,0,0]=4 17 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl A2Z00049750 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.21 Cc1cc(ccc1O)C(=O)C A2Z00094595 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.21 Cc1cc(cnc1Cl)[N+](=O)[O-] A2Z00070328 [0,0,0,0,0,1|2,0,1]=4 20 B11R1.21 Cc1ccc(cc1N)C(=O)C A2Z00048065 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.21 Cc1ccc(cc1N)C(=O)O A2Z00094525 [0,0,0,0,0,1|2,0,0]=3 22 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl A2Z00094869 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl A2Z00093440 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.21 c1cc(c(cc1C(=O)O)N)N A2Z00095962 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.21 c1cc(c(cc1C(=O)O)N)O A2Z00098397 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.74 Cc1cc(nc(c1)C(=O)O)C A2Z00009586 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O A2Z00094868 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.74 c1c(cc(cc1F)Br)C(=O)O A2Z00094875 [0,0,0,0,0,1|2,1,0]=4 29 B11R1.74 c1c(cc(cc1O)O)C(=O)O A2Z00098105 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.74 c1c(cc(nc1O)O)C(=O)O A2Z00096016 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.80 Cc1c(sc(n1)NC(=O)C)Br A2Z00049456 [0,0,0,0,0,1|2,1,0]=4 32 B8R1.1 Cc1cnc(o1)C=O A2Z00050355 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.1 c1cc(oc1C=O)I A2Z00064077 [2,0,0,0,0,0|0,2,0]=4 34 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.7 CC(=O)c1cncs1 A2Z00085476 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.7 CC(c1cccs1)O A2Z00094291 [2,0,0,0,0,0|1,0,1]=4 37 B8R1.7 c1c(ncs1)C(=O)O A2Z00061631 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [2,0,0,0,0,0|0,1,0]=3 40 B8R1.7 c1cc(sc1)C(=S)N A2Z00038399 [2,0,0,0,0,0|1,1,0]=4 41 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [2,0,0,0,0,0|1,1,0]=4 42 B10R1.14 COC(=O)c1ccc(o1)Br A2Z00095435 [1,1,0,0,0,0|0,2,0]=4 43 B10R1.14 Cc1cc(n[nH]1)C(=O)OC A2Z00096044 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.14 c1cc(sc1C(=O)CCl)Cl A2Z00094277 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.31 c1c(c[nH]c1C(=O)O)C=O A2Z00096179 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.31 c1cc([nH]c1C=O)C(=O)O A2Z00096160 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.31 c1cc(oc1C#N)C(=O)O A2Z00048029 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.31 c1cc(oc1C=O)C(=O)O A2Z00094670 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.55 c1cc(sc1S(=O)(=O)Cl)Cl A2Z00041380 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.59 Cc1c(sc(=O)[nH]1)C(=O)O A2Z00069308 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.59 Cc1c(sc(n1)C)C(=O)O A2Z00087546 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.48 COc1ccc(cc1Br)C(=O)O A2Z00095298 [0,1,0,0,0,1|1,1,0]=4 53 B12R1.48 COc1ccc(cc1N)C(=O)O A2Z00048893 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.56 Cc1ccc(cc1C#N)C(=O)O A2Z00056969 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl A2Z00094243 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.893 c1cc(c(c(c1C(=O)O)N)Cl)Cl A2Z00062159 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.358 COC(=O)c1cc(cc(c1)Cl)Cl A2Z00097515 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.358 COC(=O)c1cc(nc(c1)Cl)Cl A2Z00096479 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.111 c1c(c(sc1C(=O)O)Cl)[N+](=O)[O-] A2Z00096355 [0,2,0,0,0,0|1,0,0]=3 60 B10R1.39 CCc1c(scn1)C(=O)O A2Z00069948 [0,0,1,1,0,0|1,0,1]=4 61 B10R1.113 Cc1cc(ccn1)C(=O)O A2Z00096178 [0,0,1,1,0,0|2,0,0]=4 62 B10R1.113 c1cc(nc(c1)Cl)C(=O)O A2Z00050531 [0,0,1,1,0,0|1,0,1]=4 63 B10R1.113 c1cnc(cc1C(=O)O)Cl A2Z00096019 [0,0,1,1,0,0|2,0,0]=4 64 B12R2.252 c1c[nH]c2c1sc(c2)C(=O)O A2Z00050312 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.54 Cc1cc(no1)CC(=O)O A2Z00047214 [1,0,0,0,0,1|2,0,0]=4 66 B10R1.54 Cc1ccc(o1)CC(=O)O A2Z00049556 [1,0,0,0,0,1|1,1,0]=4 67 B10R1.54 c1cc(sc1CC(=O)O)Br A2Z00050168 [1,0,0,0,0,1|0,1,0]=3 68 B12R1.19 Cc1ccc(cc1Br)CC(=O)O A2Z00049493 [0,0,0,0,0,2|1,1,0]=4