0 B9R1.35 Cc1cc(n[nH]1)C(=O)O CHEBI:74739 [1,0,0,0,0,0|3,0,0]=4 1 B9R1.35 Cc1ccc(o1)C(=O)C CHEBI:562752 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.35 Cc1cnc([nH]1)C(=O)O CHEBI:74745 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.35 Cn1ccc(n1)C(=O)O CHEBI:74738 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.35 c1cc([nH]c1C(=O)O)O CHEBI:62212 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 c1cc([nH]c1C(=O)[O-])O CHEBI:62210 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.35 c1cc(oc1C(=O)O)O CHEBI:86395 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.21 Cc1c(cc(cn1)C(=O)O)O CHEBI:15821 [0,0,0,0,0,1|3,0,0]=4 8 B11R1.21 Cc1cc(ccc1O)C(=O)O CHEBI:85239 [0,0,0,0,0,1|3,0,0]=4 9 B11R1.21 Cc1ccc(cc1C)C(=O)O CHEBI:64818 [0,0,0,0,0,1|3,0,0]=4 10 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CHEBI:49401 [0,0,0,0,0,1|1,0,0]=2 11 B11R1.21 c1cc(c(cc1C(=O)O)N)O CHEBI:29476 [0,0,0,0,0,1|3,0,0]=4 12 B11R1.21 c1cc(c(cc1C(=O)O)O)O CHEBI:36062 [0,0,0,0,0,1|3,0,0]=4 13 B11R1.21 c1cc(c(cc1C(=O)[O-])Cl)Cl CHEBI:83287 [0,0,0,0,0,1|1,0,1]=3 14 B11R1.74 Cc1cc(cc(c1)C(=O)O)C CHEBI:64821 [0,0,0,0,0,1|3,0,0]=4 15 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O CHEBI:16742 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.74 c1c(cc(cc1N)O)C(=O)O CHEBI:29507 [0,0,0,0,0,1|3,0,0]=4 17 B11R1.74 c1c(cc(cc1O)O)C(=O)O CHEBI:39912 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O CHEBI:73179 [0,0,0,0,0,1|1,0,0]=2 19 B11R1.80 C/1=C(C(=O)O\C1=C/C(=O)O)Cl CHEBI:16773 [0,0,0,0,0,1|1,0,0]=2 20 B11R1.80 C/1=C(C(=O)O\C1=C/C(=O)[O-])Cl CHEBI:57891 [0,0,0,0,0,1|1,0,1]=3 21 B11R1.80 C/1=C(C(=O)O\C1=C\C(=O)O)Cl CHEBI:16211 [0,0,0,0,0,1|1,0,0]=2 22 B11R1.80 C/1=C(C(=O)O\C1=C\C(=O)O)Cl CHEBI:38122 [0,0,0,0,0,1|1,0,0]=2 23 B11R1.80 C/1=C(C(=O)O\C1=C\C(=O)[O-])Cl CHEBI:57681 [0,0,0,0,0,1|1,0,1]=3 24 B8R0.8 C\C=C/C=C(/C(=O)O)\O CHEBI:63735 [1,0,1,0,0,0|1,0,0]=3 25 B8R0.8 C\C=C/C=C(/C(=O)[O-])\O CHEBI:63693 [1,0,1,0,0,0|1,0,1]=4 26 B8R0.28 C(\C=C/C(=O)O)C(=O)O CHEBI:50429 [1,0,1,0,0,0|1,0,1]=4 27 B8R0.28 C(\C=C\C(=O)O)C(=O)O CHEBI:15670 [1,0,1,0,0,0|1,0,1]=4 28 B8R0.28 C(\C=C\C(=O)O)C(=O)O CHEBI:24309 [1,0,1,0,0,0|1,0,1]=4 29 B8R0.23 C(=C(\C(=O)O)/O)/C(=O)O CHEBI:28394 [1,0,1,0,0,0|2,0,0]=4 30 B8R1.7 CC(=O)c1ccc[nH]1 CHEBI:59981 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.7 CC(=O)c1ccco1 CHEBI:59983 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.7 c1c[nH]cc1C(=O)O CHEBI:68076 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.7 c1cc([nH]c1)C(=O)O CHEBI:36751 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.7 c1cc([nH]c1)C(=O)[O-] CHEBI:27660 [2,0,0,0,0,0|1,0,1]=4 35 B8R1.7 c1cc(oc1)C(=O)O CHEBI:30845 [2,0,0,0,0,0|0,0,0]=2 36 B8R1.7 c1cc(oc1)C(=O)[O-] CHEBI:16739 [2,0,0,0,0,0|0,0,1]=3 37 B8R1.7 c1cc(oc1)[N+](=O)[O-] CHEBI:34890 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.7 c1cc(sc1)C(=O)O CHEBI:71241 [2,0,0,0,0,0|0,1,0]=3 39 B8R1.7 c1cc(sc1)C(=O)[O-] CHEBI:71237 [2,0,0,0,0,0|0,1,1]=4 40 B8R1.7 c1cocc1C(=O)O CHEBI:30846 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.31 c1cc(oc1C=O)C(=O)O CHEBI:84206 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.31 c1cc(oc1C=O)C(=O)[O-] CHEBI:83387 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.31 c1cc(oc1CO)C(=O)O CHEBI:89118 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.1005 c1c(cc(c(c1Cl)O)Cl)C(=O)O CHEBI:53685 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.511 c1c(c(c(nc1Cl)C(=O)O)Cl)N CHEBI:62962 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.843 C1=C(C(=O)OC1(CC(=O)O)Cl)Cl CHEBI:16106 [0,1,0,0,0,1|1,0,1]=4 47 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CHEBI:49410 [0,0,1,1,0,0|2,0,0]=4 48 B10R1.118 c1c(c(=O)[nH]c(c1Cl)Cl)Cl CHEBI:83490 [0,0,1,1,0,0|2,0,0]=4 49 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O CHEBI:28520 [0,0,1,1,0,0|2,0,0]=4 50 B10R0.96 C(=C/C(=O)O)/C(=C/C(=O)O)/Cl CHEBI:38435 [0,0,1,0,0,1|1,0,0]=3 51 B10R0.96 C(=C/C(=O)O)/C(=C\C(=O)O)/Cl CHEBI:1472 [0,0,1,0,0,1|1,0,0]=3 52 B10R0.96 C(=C/C(=O)O)/C(=C\C(=O)O)/O CHEBI:17419 [0,0,1,0,0,1|2,0,0]=4 53 B10R0.96 C(=C\C(=O)O)/C(=C/C(=O)O)/Cl CHEBI:38428 [0,0,1,0,0,1|1,0,0]=3 54 B10R0.96 C(=C\C(=O)O)/C(=C/C(=O)O)/Cl CHEBI:38433 [0,0,1,0,0,1|1,0,0]=3 55 B10R0.96 C(=C\C(=O)O)/C(=C\C(=O)O)/Cl CHEBI:38432 [0,0,1,0,0,1|1,0,0]=3 56 B10R0.96 C(C(=O)\C=C/C(=O)O)C(=O)O CHEBI:1184 [0,0,1,0,0,1|2,0,0]=4 57 B10R0.96 C(C(=O)\C=C\C(=O)O)C(=O)O CHEBI:19672 [0,0,1,0,0,1|2,0,0]=4 58 B10R0.96 C(C(=O)\C=C\C(=O)O)C(=O)O CHEBI:37160 [0,0,1,0,0,1|2,0,0]=4 59 B10R0.96 C\C(=C\C(=O)O)\C=C/C(=O)O CHEBI:28958 [0,0,1,0,0,1|2,0,0]=4 60 B10R0.98 C(=C/C(=O)O)/C=C(\C(=O)O)/Cl CHEBI:27895 [0,0,1,0,0,1|1,0,0]=3 61 B10R0.98 C(=C/C(=O)O)/C=C(\C(=O)O)/O CHEBI:64037 [0,0,1,0,0,1|2,0,0]=4 62 B10R0.98 C(=C\C(=O)O)/C=C(/C(=O)O)\Cl CHEBI:38434 [0,0,1,0,0,1|1,0,0]=3 63 B10R0.98 C(=C\C(=O)O)/C=C(/C(=O)O)\N CHEBI:16886 [0,0,1,0,0,1|2,0,0]=4 64 B10R0.98 C(=C\C(=O)O)/C=C(/C(=O)O)\O CHEBI:53146 [0,0,1,0,0,1|2,0,0]=4 65 B10R0.98 C(\C=C/C(=O)C(=O)O)C(=O)O CHEBI:64038 [0,0,1,0,0,1|2,0,0]=4 66 B10R0.98 C(\C=C/C(=O)O)C(=O)C(=O)O CHEBI:32808 [0,0,1,0,0,1|2,0,0]=4 67 B10R0.98 C(\C=C\C(=O)C(=O)O)C(=O)O CHEBI:64031 [0,0,1,0,0,1|2,0,0]=4 68 B10R0.98 C(\C=C\C(=O)C(=O)O)C(=O)O CHEBI:64927 [0,0,1,0,0,1|2,0,0]=4 69 B10R1.54 C/1=CC(=O)O\C1=C/C(=O)O CHEBI:38107 [1,0,0,0,0,1|1,0,0]=3 70 B10R1.54 C/1=CC(=O)O\C1=C\C(=O)O CHEBI:11972 [1,0,0,0,0,1|1,0,0]=3 71 B10R1.54 C/1=CC(=O)O\C1=C\C(=O)O CHEBI:18371 [1,0,0,0,0,1|1,0,0]=3 72 B10R1.54 C/1=CC(=O)O\C1=C\C(=O)[O-] CHEBI:57263 [1,0,0,0,0,1|1,0,1]=4 73 B10R1.54 C1=CC(=O)OC1CC(=O)O CHEBI:18080 [1,0,0,0,0,1|1,0,1]=4 74 B10R1.54 C1=CC(=O)O[C@@H]1CC(=O)O CHEBI:48069 [1,0,0,0,0,1|1,0,1]=4 75 B10R1.54 C1=CC(=O)O[C@H]1CC(=O)O CHEBI:48068 [1,0,0,0,0,1|1,0,1]=4 76 B10R1.54 C1C=C(OC1=O)CC(=O)O CHEBI:18267 [1,0,0,0,0,1|1,0,1]=4 77 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O CHEBI:47106 [0,0,0,0,0,2|2,0,0]=4 78 B12R1.19 c1cc(c(cc1NC(=O)N)Cl)Cl CHEBI:83464 [0,0,0,0,0,2|2,0,0]=4