0 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 NC(=O)C1=NC=CN=C1 HMDB0014483 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 O=C(O)C1=CC=CC=C1 HMDB0001870 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.6 O=C(O)C1=CC=CC=N1 HMDB0002243 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 O=C(O)C1=CC=NC=C1 HMDB0060665 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 O=C(O)C1=CN=CC=C1 HMDB0001488 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 O=C(O)C1=CN=CC=N1 HMDB0059734 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.13 C=C(C)C1=CC=C(C)C=C1 HMDB0029641 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 CC1=CC=C(C(C)C)C=C1 HMDB0005805 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HMDB0001392 [0,1,0,0,0,0|0,0,0]=1 13 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HMDB0000500 [0,1,0,0,0,0|0,0,0]=1 14 B10R1.13 O=C(O)C1=CN=C(O)C=C1 HMDB0002658 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 HMDB0001232 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.15 C=C(C=O)C1=CC=CC=C1 HMDB0060671 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.15 NNC(=O)C1=CC=NC=C1 HMDB0015086 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.61 CC1=C(C(=O)O)C=CC=C1 HMDB0002340 [0,1,0,0,0,0|0,0,0]=1 21 B10R1.61 CC1=CC=CC=C1C(C)C HMDB0037050 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.61 NC(=O)C1=CC=CC=C1O HMDB0015687 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.61 NC1=CC=CC=C1C(=O)O HMDB0001123 [0,1,0,0,0,0|0,0,0]=1 24 B10R1.61 O=C(O)C1=C(O)C=CC=N1 HMDB0013188 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.61 O=C(O)C1=CC=CC=C1O HMDB0001895 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.61 O=C(O)C1=CC=CNC1=O HMDB0059710 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 HMDB0000875 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HMDB0000699 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.113 NC1=CC=CC(C(=O)O)=C1 HMDB0001891 [0,1,0,0,0,0|0,0,0]=1 30 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,1,0,0,0,0|0,0,0]=1 31 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HMDB0002466 [0,1,0,0,0,0|0,0,0]=1 32 B8R1.7 O=C(O)C1=CC=CN1 HMDB0004230 [0,0,0,0,1,0|1,0,0]=2 33 B8R1.7 O=C(O)C1=CC=CO1 HMDB0000617 [0,0,0,0,1,0|1,0,0]=2 34 B8R1.7 O=C(O)C1=CNN=C1 HMDB0060760 [0,0,0,0,1,0|2,0,0]=3 35 B10R1.18 CC(N)CC1=CC=CC=C1 HMDB0014328 [0,0,0,0,0,1|2,0,1]=4 36 B10R1.18 C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [0,0,0,0,0,1|2,0,1]=4 37 B10R1.18 O=C(O)CC1=CC=CC=C1 HMDB0000209 [0,0,0,0,0,1|0,0,0]=1 38 B10R1.18 O=C(O)CC1=CC=CC=N1 HMDB0060722 [0,0,0,0,0,1|1,0,0]=2 39 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [2,0,0,0,0,0|0,0,1]=3 40 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [2,0,0,0,0,0|1,0,0]=3 41 B7R1.3 OC1=CC=CC=C1 HMDB0000228 [2,0,0,0,0,0|0,0,0]=2 42 B9R0.55 O=C(O)\C=C/C=C\C(=O)O HMDB0002349 [0,1,1,0,0,0|1,0,0]=3 43 B9R0.15 C=C\C=C(/CCC)C(=O)O HMDB0060682 [0,1,1,0,0,0|0,0,2]=4 44 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.1 O=CC1=CC=C(O)C=C1 HMDB0011718 [1,1,0,0,0,0|0,0,0]=2 46 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.35 CC1=CC=C(C(=O)O)O1 HMDB0059735 [0,1,0,0,1,0|1,0,0]=3 49 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 HMDB0060946 [0,1,0,0,0,1|1,0,0]=3 50 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HMDB0001859 [0,1,0,0,0,1|1,0,0]=3 51 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 HMDB0000020 [0,1,0,0,0,1|0,0,0]=2 52 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HMDB0011743 [0,1,0,0,0,1|0,0,0]=2 53 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HMDB0002210 [0,1,0,0,0,1|0,0,0]=2 54 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 HMDB0001587 [0,1,0,0,0,1|0,0,0]=2 55 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 HMDB0000703 [0,1,0,0,0,1|0,0,0]=2 56 B11R1.86 O=C(O)CC1=CC=CC=C1O HMDB0000669 [0,1,0,0,0,1|0,0,0]=2 57 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 HMDB0000440 [0,1,0,0,0,1|0,0,0]=2 58 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 HMDB0060015 [0,1,0,0,0,1|1,0,0]=3 59 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 HMDB0002097 [0,2,0,0,0,0|0,0,0]=2 60 B11R1.3 COC1=CC=C(C(=O)O)C=N1 HMDB0059749 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 HMDB0014404 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.19 NS(=O)(=O)C1=CC=C(Cl)C=C1 HMDB0061173 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.21 CC1=CC(C(=O)O)=CC=C1O HMDB0004815 [0,2,0,0,0,0|0,0,0]=2 64 B11R1.21 CN1C=C(C(N)=O)C=CC1=O HMDB0004193 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 HMDB0001856 [0,2,0,0,0,0|0,0,0]=2 66 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,2,0,0,0,0|0,0,0]=2 67 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [0,2,0,0,0,0|1,0,1]=4 68 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 HMDB0014378 [0,2,0,0,0,0|0,0,0]=2 69 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,2,0,0,0,0|0,0,0]=2 70 B11R1.222 COC(=O)C1=CC=CC=C1O HMDB0034172 [0,2,0,0,0,0|0,0,0]=2 71 B11R1.53 C1=NC(CC)=C(C(=O)N)C=C1 HMDB0013704 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.53 COC1=CC=CC=C1C(=O)O HMDB0032604 [0,2,0,0,0,0|0,0,0]=2 73 B11R1.156 O=C(O)C1=C(O)C=CC=C1O HMDB0013676 [0,2,0,0,0,0|0,0,0]=2 74 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 HMDB0060680 [0,2,0,0,0,0|0,0,0]=2 75 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 HMDB0002390 [0,2,0,0,0,0|0,0,0]=2 76 B11R1.159 NC1=C(O)C=CC=C1C(=O)O HMDB0001476 [0,2,0,0,0,0|0,0,0]=2 77 B11R1.159 NC1=CC=CC(C(=O)O)=C1O HMDB0001972 [0,2,0,0,0,0|0,0,0]=2 78 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 HMDB0000397 [0,2,0,0,0,0|0,0,0]=2 79 B11R1.167 CN1C=CC(=O)C(C(N)=O)=C1 HMDB0004194 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 HMDB0014389 [0,2,0,0,0,0|0,0,0]=2 81 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 HMDB0000152 [0,2,0,0,0,0|0,0,0]=2 82 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 HMDB0013677 [0,2,0,0,0,0|0,0,0]=2 83 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 HMDB0000226 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.266 COC1=CC=CC(C(=O)O)=C1 HMDB0032606 [0,2,0,0,0,0|0,0,0]=2 85 B7R1.1 O=CC1=CC=CO1 HMDB0032914 [1,0,0,0,1,0|1,0,0]=3 86 B7R1.1 OCC1=CC=CO1 HMDB0013742 [1,0,0,0,1,0|1,0,1]=4 87 B11R1.91 O=C(O)CCC1=CC=CC=C1 HMDB0000764 [0,0,0,0,0,2|0,0,0]=2 88 B11R1.91 O=C(O)\C=C/C1=CC=CC=C1 HMDB0000567 [0,0,0,0,0,2|0,0,0]=2