0 B9R1.35 Cc1cc(n[nH]1)C(=O)O CHEBI:74739 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.35 Cc1ccc(o1)C(=O)C CHEBI:562752 [1,0,0,0,0,0|2,1,0]=4 2 B9R1.35 Cc1cnc([nH]1)C(=O)O CHEBI:74745 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.35 Cn1cc(cn1)C(=O)O CHEBI:74741 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.35 Cn1ccc(n1)C(=O)O CHEBI:74738 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 c1cc([nH]c1C(=O)O)O CHEBI:62212 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.35 c1cc([nH]c1C(=O)[O-])O CHEBI:62210 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.35 c1cc(oc1C(=O)O)O CHEBI:86395 [1,0,0,0,0,0|1,1,0]=3 8 B11R1.21 Cc1c(cc(cn1)C(=O)O)O CHEBI:15821 [0,0,0,0,0,1|2,0,0]=3 9 B11R1.21 Cc1c(cc(cn1)C(=O)[O-])O CHEBI:57528 [0,0,0,0,0,1|2,0,1]=4 10 B11R1.21 Cc1cc(ccc1O)C(=O)O CHEBI:85239 [0,0,0,0,0,1|2,0,0]=3 11 B11R1.21 Cc1ccc(cc1C)C(=O)O CHEBI:64818 [0,0,0,0,0,1|2,0,0]=3 12 B11R1.21 Cc1ccc(cc1C)C(=O)[O-] CHEBI:64820 [0,0,0,0,0,1|2,0,1]=4 13 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CHEBI:49401 [0,0,0,0,0,1|2,0,0]=3 14 B11R1.21 c1cc(c(cc1C(=O)O)N)O CHEBI:29476 [0,0,0,0,0,1|3,0,0]=4 15 B11R1.21 c1cc(c(cc1C(=O)O)O)O CHEBI:36062 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.21 c1cc(c(cc1C(=O)[O-])Cl)Cl CHEBI:83287 [0,0,0,0,0,1|2,0,1]=4 17 B11R1.74 Cc1cc(cc(=O)[nH]1)C(=O)C CHEBI:66524 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.74 Cc1cc(cc(c1)C(=O)O)C CHEBI:64821 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.74 Cc1cc(cc(c1)C(=O)[O-])C CHEBI:64822 [0,0,0,0,0,1|2,0,1]=4 20 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O CHEBI:16742 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.74 c1c(cc(cc1N)O)C(=O)O CHEBI:29507 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.74 c1c(cc(cc1O)O)C(=O)O CHEBI:39912 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O CHEBI:73179 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.80 C/1=C(C(=O)O\C1=C/C(=O)O)Cl CHEBI:16773 [0,0,0,0,0,1|2,1,0]=4 25 B11R1.80 C/1=C(C(=O)O\C1=C\C(=O)O)Cl CHEBI:16211 [0,0,0,0,0,1|2,1,0]=4 26 B11R1.80 C/1=C(C(=O)O\C1=C\C(=O)O)Cl CHEBI:38122 [0,0,0,0,0,1|2,1,0]=4 27 B8R0.8 C\C=C/C=C(/C(=O)O)\O CHEBI:63735 [1,0,1,0,0,0|1,1,0]=4 28 B8R0.8 C\C=C/CC(=O)C(=O)O CHEBI:38352 [1,0,1,0,0,0|2,0,0]=4 29 B8R0.8 C\C=C\CC(=O)C(=O)O CHEBI:28998 [1,0,1,0,0,0|2,0,0]=4 30 B8R0.8 C\C=C\CC(=O)C(=O)O CHEBI:38353 [1,0,1,0,0,0|2,0,0]=4 31 B8R1.7 CC(=O)c1ccc[nH]1 CHEBI:59981 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.7 CC(=O)c1ccco1 CHEBI:59983 [2,0,0,0,0,0|1,1,0]=4 33 B8R1.7 c1c(scn1)C(=O)N CHEBI:132332 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.7 c1c[nH]cc1C(=O)O CHEBI:68076 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.7 c1cc([nH]c1)C(=O)O CHEBI:36751 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.7 c1cc([nH]c1)C(=O)[O-] CHEBI:27660 [2,0,0,0,0,0|1,0,1]=4 37 B8R1.7 c1cc(oc1)C(=O)O CHEBI:30845 [2,0,0,0,0,0|0,1,0]=3 38 B8R1.7 c1cc(oc1)C(=O)[O-] CHEBI:16739 [2,0,0,0,0,0|0,1,1]=4 39 B8R1.7 c1cc(sc1)C(=O)O CHEBI:71241 [2,0,0,0,0,0|0,0,0]=2 40 B8R1.7 c1cc(sc1)C(=O)[O-] CHEBI:71237 [2,0,0,0,0,0|0,0,1]=3 41 B8R1.7 c1cocc1C(=O)O CHEBI:30846 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.31 c1cc(oc1C=O)C(=O)O CHEBI:84206 [1,1,0,0,0,0|1,1,0]=4 43 B10R1.31 c1cc(oc1CO)C(=O)O CHEBI:89118 [1,1,0,0,0,0|1,1,0]=4 44 B12R1.48 COc1ccc(cc1O)C(=O)O CHEBI:63798 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.56 COc1cc(ccc1O)C(=O)O CHEBI:30816 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.893 Cc1ccc(c(c1O)N)C(=O)O CHEBI:16116 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.1005 c1c(cc(c(c1Cl)O)Cl)C(=O)O CHEBI:53685 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.511 c1c(c(c(nc1Cl)C(=O)O)Cl)N CHEBI:62962 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.113 Cc1cccc(c1)C(=O)O CHEBI:10589 [0,0,1,1,0,0|2,0,0]=4 50 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CHEBI:49410 [0,0,1,1,0,0|1,0,1]=4 51 B10R0.96 C\C(=C\C(=O)O)\C=C/C(=O)O CHEBI:28958 [0,0,1,0,0,1|1,1,0]=4 52 B10R1.54 C/1=CC(=O)O\C1=C/C(=O)O CHEBI:38107 [1,0,0,0,0,1|1,1,0]=4 53 B10R1.54 C/1=CC(=O)O\C1=C\C(=O)O CHEBI:11972 [1,0,0,0,0,1|1,1,0]=4 54 B10R1.54 C/1=CC(=O)O\C1=C\C(=O)O CHEBI:18371 [1,0,0,0,0,1|1,1,0]=4 55 B10R1.54 Cn1cc(nc1)CC(=O)O CHEBI:1606 [1,0,0,0,0,1|2,0,0]=4 56 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O CHEBI:47106 [0,0,0,0,0,2|2,0,0]=4