0 B9R1.11 CCC(=O)n1ccnc1 CHEBI:27449 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.7 CC(=O)C1=NCCC1 CHEBI:67125 [1,0,0,0,0,0|1,0,2]=4 2 B8R1.7 CC(=O)c1ccc[nH]1 CHEBI:59981 [1,0,0,0,0,0|1,0,1]=3 3 B8R1.7 CC(=O)c1ccco1 CHEBI:59983 [1,0,0,0,0,0|1,1,0]=3 4 B8R1.7 c1c(scn1)C(=O)N CHEBI:132332 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.7 c1cc([nH]c1)C(=O)O CHEBI:36751 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.7 c1cc([nH]c1)C(=O)[O-] CHEBI:27660 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.7 c1cc(oc1)C(=O)O CHEBI:30845 [1,0,0,0,0,0|2,1,0]=4 8 B8R1.7 c1cc(oc1)C(=O)[O-] CHEBI:16739 [1,0,0,0,0,0|2,1,0]=4 9 B8R1.7 c1cc(sc1)C(=O)O CHEBI:71241 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 c1cc(sc1)C(=O)[O-] CHEBI:71237 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] CHEBI:67135 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,0,0,0,0,1|2,0,0]=3 13 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,0,0,0,0,1|3,0,0]=4 15 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,0,0,0,0,1|3,0,0]=4 16 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,0,0,0,0,1|3,0,0]=4 17 B7R0.3 CCC(=O)\C=C\C=O CHEBI:76721 [1,0,1,0,0,0|0,1,0]=3 18 B7R0.1 CC\C=C\C=C\C=C CHEBI:77504 [1,0,1,0,0,0|2,0,0]=4 19 B7R0.1 CC\C=C\C=C\C=O CHEBI:132837 [1,0,1,0,0,0|1,1,0]=4 20 B7R1.1 c1cc([nH]c1)C=O CHEBI:59978 [2,0,0,0,0,0|1,0,1]=4 21 B7R1.1 c1cc(oc1)C=O CHEBI:34768 [2,0,0,0,0,0|1,1,0]=4 22 B7R1.1 c1cc(sc1)C=O CHEBI:87301 [2,0,0,0,0,0|1,0,0]=3 23 B9R0.5 CCOC(=O)\C=C\C=C\C CHEBI:72819 [0,1,1,0,0,0|2,0,0]=4 24 B9R1.35 Cc1ccc(o1)C(=O)C CHEBI:562752 [1,1,0,0,0,0|1,1,0]=4 25 B9R1.35 Cc1cnc([nH]1)C(=O)O CHEBI:74745 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.35 Cc1csc(n1)C(C)C CHEBI:133679 [1,1,0,0,0,0|1,0,1]=4 27 B9R1.41 CC(=O)c1cccn1C CHEBI:59982 [1,1,0,0,0,0|1,0,1]=4 28 B9R1.41 Cn1ccnc1C(=O)O CHEBI:74743 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.13 CC(C)Cc1nccs1 CHEBI:133683 [1,1,0,0,0,0|0,0,1]=3 30 B9R1.13 CN(C)C=C1N=CC=N1 CHEBI:52001 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.36 CC(C(=O)c1ccccc1)N CHEBI:59332 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.36 CC(C(=O)c1ccccc1)O CHEBI:63553 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.36 C[C@@H](C(=O)c1ccccc1)N CHEBI:4110 [0,1,0,0,0,1|2,0,0]=4 36 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [0,0,0,1,0,1|2,0,0]=4 37 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [1,0,0,0,0,1|2,0,0]=4 38 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [1,0,0,0,0,1|2,0,0]=4 39 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [1,0,0,0,0,1|2,0,0]=4 40 B9R1.6 c1cc(cnc1)C(=O)[O-] CHEBI:32544 [1,0,0,0,0,1|2,0,0]=4 41 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [1,0,0,0,0,1|2,0,0]=4 42 B9R1.6 c1ccnc(c1)C(=O)O CHEBI:28747 [1,0,0,0,0,1|2,0,0]=4 43 B9R1.6 c1ccnc(c1)C(=O)[O-] CHEBI:38184 [1,0,0,0,0,1|2,0,0]=4 44 B9R1.6 c1cnc(cn1)C(=O)N CHEBI:45285 [1,0,0,0,0,1|2,0,0]=4 45 B9R1.6 c1cnc(cn1)C(=O)O CHEBI:71311 [1,0,0,0,0,1|2,0,0]=4 46 B9R1.6 c1cnc(cn1)C(=O)[O-] CHEBI:71266 [1,0,0,0,0,1|2,0,0]=4