0 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.166 CC(C)=C1CCC(C)=CC1=O HMDB0036999 [0,0,0,0,0,0|0,0,4]=4 3 B11R1.166 CC(C)C1CC=C(C)CC1O HMDB0037016 [0,0,0,0,0,0|0,0,4]=4 4 B11R1.166 CC(C)C1CCC(C)=CC1=O HMDB0034975 [0,0,0,0,0,0|0,0,4]=4 5 B11R1.166 CC(C)C1CCC(C)=CC1O HMDB0035838 [0,0,0,0,0,0|0,0,4]=4 6 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035737 [0,0,0,0,0,0|0,0,4]=4 7 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035738 [0,0,0,0,0,0|0,0,4]=4 8 B11R1.166 CC(C)[C@@H]1CCC(C)=C[C@H]1O HMDB0035861 [0,0,0,0,0,0|0,0,4]=4 9 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.166 OC1=CC(O)=C(C=C1)[N+]([O-])=O HMDB0006200 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [1,0,0,0,0,0|0,0,2]=3 14 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [1,0,0,0,0,0|0,0,2]=3 16 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [1,0,0,0,0,0|0,0,2]=3 18 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [1,0,0,0,0,0|0,0,2]=3 19 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,0,0,0,0,0|0,0,0]=1 25 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,1,0,0,0,0|0,0,0]=1 26 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O HMDB0034732 [0,1,0,0,0,0|0,0,1]=2 27 B12R1.893 CC(C)C1=C(O)C(=O)C(C)CC1 HMDB0037014 [0,1,0,0,0,0|0,0,3]=4 28 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O HMDB0029644 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.59 CC(=O)C1=C(O)C=C(C)S1 HMDB0032334 [0,0,0,0,1,0|2,0,1]=4 30 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,0,0,0,1,0|0,0,3]=4 31 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [1,0,1,0,0,0|0,0,2]=4 32 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [1,0,1,0,0,0|0,0,2]=4 33 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|1,0,1]=4 34 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [2,0,0,0,0,0|1,1,0]=4 48 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [2,0,0,0,0,0|0,0,0]=2 50 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [1,1,0,0,0,0|0,0,0]=2 55 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [1,1,0,0,0,0|0,0,0]=2 59 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [1,1,0,0,0,0|0,0,1]=3 60 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [1,1,0,0,0,0|0,0,0]=2 61 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.53 COC1=CC=CC=C1C(C)=O HMDB0032569 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.156 CC(=O)C1=C(O)C=CC=C1O HMDB0029660 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 HMDB0032132 [1,1,0,0,0,0|0,0,0]=2 68 B13R1.120 CC(C)C1=CC(O)=C(C=C1)C(C)C HMDB0032579 [0,2,0,0,0,0|0,0,0]=2 69 B13R1.428 COC1=CC(O)=C(C(C)=O)C(O)=C1 HMDB0029646 [0,2,0,0,0,0|1,0,1]=4 70 B11R1.424 CC1=C(C=O)C(C)(C)C=CC1 HMDB0035172 [0,0,1,1,0,0|0,0,2]=4 71 B11R1.424 CC1=C(C=O)C(C)(C)CC=C1 HMDB0036061 [0,0,1,1,0,0|0,0,2]=4 72 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,0,0,0,0,1|1,0,1]=4 73 B11R1.86 CC(C)OC1=CC=CC=C1O HMDB0041804 [1,0,0,0,0,1|0,0,0]=2