0 B10R1.13 C1=CC(=CC=C1C(=O)N)O NPA016028 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.1 C1=CC(=CC=C1[N+]#N)O NPA002101 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.1 O=CC1=CC=C(C=C1)O NPA032546 [1,0,0,0,0,0|0,0,0]=1 3 B9R1.6 C1=CC=C(C=C1)C(=O)O NPA008069 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.3 CNC1=CC=C(C=C1)C(=O)N NPA022112 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O NPA011566 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)O NPA013732 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.21 CC1=CC=C(OC1=O)C(=O)C NPA003401 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O NPA027819 [0,1,0,0,0,0|0,0,2]=3 9 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O NPA001349 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.1 C/C=C(/C)\C=C\C=C(C)C NPA004953 [0,0,1,0,0,0|2,0,1]=4 11 B9R1.35 CC1=CC=C(O1)C(=O)C NPA011986 [0,0,0,0,1,0|2,0,0]=3 12 B11R1.20 C1=CC(=CC=C1CC(=O)N)O NPA016090 [0,0,0,0,0,1|1,0,0]=2 13 B11R1.20 O=C(O)CC1=CC=C(C=C1)O NPA032547 [0,0,0,0,0,1|1,0,0]=2 14 B8R1.2 C=CC1=CC=CC=C1 NPA015288 [2,0,0,0,0,0|0,0,1]=3 15 B8R1.2 COC1=CC=CC=C1 NPA018776 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.1 OCCC1=CC=C(C=C1)O NPA032538 [1,1,0,0,0,0|0,0,1]=3 17 B10R1.3 C1=CC(=CC=C1CO)[N+]#N NPA009452 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.3 COC1=CC=C(C=C1)OC NPA013417 [1,1,0,0,0,0|1,0,0]=3 19 B10R1.25 C=CC1=C(C=C(C=C1)O)O NPA017935 [1,1,0,0,0,0|0,0,1]=3 20 B10R1.176 OCC1=CC(=C(C=C1)O)O NPA032543 [1,1,0,0,0,0|0,0,2]=4 21 B10R1.15 CSC(=O)C1=CC=CC=C1 NPA006840 [1,1,0,0,0,0|0,0,0]=2 22 B10R1.28 CC(C)(C1=CC=CC=C1)O NPA011090 [1,1,0,0,0,0|0,0,2]=4 23 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O NPA022113 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.61 CC(=O)C1=CC=CC=C1N NPA005121 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O NPA007061 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.113 CC1=CC=CC(=C1)C(=O)C NPA016953 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.31 C1=C(OC=C1C(=O)O)CO NPA015736 [0,1,0,0,1,0|2,0,0]=4 28 B10R1.31 CC(=O)C1=CNC(=C1)CO NPA001194 [0,1,0,0,1,0|1,0,0]=3 29 B12R1.4 COC1=CC=C(C=C1)NC(=O)C NPA031034 [0,1,0,0,0,1|0,0,0]=2 30 B12R1.19 C1=CC(=C(C=C1CC(=O)N)Cl)O NPA019761 [0,1,0,0,0,1|1,0,0]=3 31 B12R1.49 C1=CC(=CC=C1C[C@H](CO)O)O NPA022620 [0,1,0,0,0,1|0,0,2]=4 32 B12R1.5 COC1=CC=C(C=C1)C(CO)O NPA004620 [0,2,0,0,0,0|0,0,2]=4 33 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO NPA031787 [0,2,0,0,0,0|0,0,2]=4 34 B12R1.48 CC(=O)C1=CC=C(C(=O)O1)CO NPA005016 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.48 CCC1=CC=C(OC1=O)C(=O)C NPA026131 [0,2,0,0,0,0|2,0,0]=4 36 B12R1.452 COC1=CC(=C(C=C1)C(=O)N)O NPA003894 [0,2,0,0,0,0|1,0,0]=3 37 B12R1.56 C1=CC(=C(C=C1C(=O)N)N=O)O NPA016795 [0,2,0,0,0,0|1,0,0]=3 38 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O NPA011303 [0,2,0,0,0,0|1,0,0]=3 39 B12R1.1005 C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O NPA009099 [0,2,0,0,0,0|1,0,0]=3 40 B12R1.16 C1=CC(=CC=C1C(=O)/C=N/O)O NPA006582 [0,2,0,0,0,0|0,0,1]=3 41 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O NPA027821 [0,2,0,0,0,0|0,0,2]=4 42 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)O)O NPA024876 [0,2,0,0,0,0|1,0,0]=3 43 B12R2.612 C1=CC2=C(C=C1O)ONC2=O NPA020950 [0,1,0,1,0,0|1,0,0]=3 44 B8R1.7 C1=CNC(=C1)C(=O)N NPA022114 [1,0,0,0,1,0|2,0,0]=4 45 B10R1.18 CC(=O)CC1=CC=CC=C1 NPA018784 [1,0,0,0,0,1|0,0,0]=2 46 B12R1.21 C1=CC(=CC=C1N=NC(=O)N)O NPA014946 [0,0,0,0,0,2|1,0,0]=3 47 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O NPA010023 [0,0,0,0,0,2|0,0,0]=2