0 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.61 CC1=C(C(=O)O)C=CC=C1 HMDB0002340 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.61 CC1=CC=CC=C1C(C)C HMDB0037050 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 NC(=O)C1=CC=CC=C1O HMDB0015687 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.61 NC1=CC=CC=C1C(=O)O HMDB0001123 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.61 O=C(O)C1=C(O)C=CC=N1 HMDB0013188 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.61 O=C(O)C1=CC=CC=C1O HMDB0001895 [0,0,0,0,0,0|0,0,0]=0 7 B10R1.61 O=C(O)C1=CC=CNC1=O HMDB0059710 [0,0,0,0,0,0|1,0,1]=2 8 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 NC(=O)C1=NC=CN=C1 HMDB0014483 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.6 O=C(O)C1=CC=CC=C1 HMDB0001870 [1,0,0,0,0,0|0,0,0]=1 12 B9R1.6 O=C(O)C1=CC=CC=N1 HMDB0002243 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.6 O=C(O)C1=CC=NC=C1 HMDB0060665 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.6 O=C(O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 O=C(O)C1=CN=CC=N1 HMDB0059734 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.53 C1=NC(CC)=C(C(=O)N)C=C1 HMDB0013704 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.53 COC1=CC=CC=C1C(=O)O HMDB0032604 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.156 O=C(O)C1=C(O)C=CC=C1O HMDB0013676 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 HMDB0060680 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 HMDB0002390 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.159 NC1=C(O)C=CC=C1C(=O)O HMDB0001476 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.159 NC1=CC=CC(C(=O)O)=C1O HMDB0001972 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 HMDB0000397 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 HMDB0001878 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 HMDB0014378 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.167 CN1C=CC(=O)C(C(N)=O)=C1 HMDB0004194 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 HMDB0014389 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 HMDB0000152 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.222 COC(=O)C1=CC=CC=C1O HMDB0034172 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.86 O=C(O)CC1=CC=CC=C1O HMDB0000669 [0,0,0,0,0,1|0,0,0]=1 33 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|1,0,1]=4 35 B8R1.5 CC1=CC=CC=C1O HMDB0002055 [2,0,0,0,0,0|0,0,1]=3 36 B8R1.5 N=C1C=CNC=C1O HMDB0060741 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [2,0,0,0,0,0|0,0,0]=2 38 B10R1.13 C=C(C)C1=CC=C(C)C=C1 HMDB0029641 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HMDB0001392 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HMDB0000500 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.13 O=C(O)C1=CN=C(O)C=C1 HMDB0002658 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 HMDB0001232 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.15 C=C(C=O)C1=CC=CC=C1 HMDB0060671 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.15 NNC(=O)C1=CC=NC=C1 HMDB0015086 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 HMDB0000875 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HMDB0000699 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.113 NC1=CC=CC(C(=O)O)=C1 HMDB0001891 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 HMDB0001544 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HMDB0002466 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 HMDB0014871 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 HMDB0000130 [0,1,0,0,0,1|0,0,0]=2 53 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O HMDB0002107 [0,2,0,0,0,0|0,0,0]=2 54 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O HMDB0000232 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.893 O=C(O)C1=C(O)C(O)=C(O)C=C1 HMDB0059964 [0,2,0,0,0,0|0,0,0]=2 56 B12R1.453 COC1=CC(C(=O)O)=C(O)C=C1 HMDB0001868 [0,2,0,0,0,0|0,0,0]=2 57 B10R1.18 O=C(O)CC1=CC=CC=C1 HMDB0000209 [0,0,1,1,0,0|1,0,1]=4 58 B10R1.18 O=C(O)CC1=CC=CC=N1 HMDB0060722 [0,0,1,1,0,0|1,0,1]=4 59 B10R1.66 O=C(O)\C=C\C1=CNC=N1 HMDB0000301 [0,0,1,1,0,0|2,0,0]=4 60 B10R2.7 C1=CC2=C(C=C1)NC=C2 HMDB0000738 [1,0,0,1,0,0|2,0,0]=4 61 B10R2.7 C1=CC=C2C(=C1)OCC2 HMDB0013815 [1,0,0,1,0,0|1,0,1]=4 62 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [0,0,0,1,0,1|2,0,0]=4 63 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 HMDB0012138 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.7 O=C(O)C1=CC=CN1 HMDB0004230 [1,0,0,0,1,0|1,0,0]=3 65 B8R1.7 O=C(O)C1=CC=CO1 HMDB0000617 [1,0,0,0,1,0|1,0,0]=3 66 B8R1.7 O=C(O)C1=CNN=C1 HMDB0060760 [1,0,0,0,1,0|2,0,0]=4 67 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1O HMDB0041592 [0,0,0,0,0,2|0,0,0]=2