0 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.166 CC(C)=C1CCC(C)=CC1=O HMDB0036999 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.166 OC1=CC(O)=C(C=C1)[N+]([O-])=O HMDB0006200 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.13 CC(=C)C1=CC=C(C)CC1 HMDB0037013 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,0,0,0,0,0|0,0,0]=1 15 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.61 CC(=O)C1=NC=CN=C1C HMDB0030001 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.61 OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O HMDB0034732 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O HMDB0029644 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.1000 OC(=O)C1=C(O)C=C(O)C=C1O HMDB0029649 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 HMDB0032159 [0,0,0,0,1,0|1,0,0]=2 27 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HMDB0029563 [0,0,0,0,1,0|1,0,0]=2 28 B10R1.59 CC(=O)C1=C(O)C=C(C)S1 HMDB0032334 [0,0,0,0,1,0|2,0,0]=3 29 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [1,0,1,0,0,0|1,0,1]=4 30 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [1,0,1,0,0,0|1,0,1]=4 31 B9R0.2 C/C=C/C=C/COC(C)=O HMDB0032311 [1,0,1,0,0,0|1,0,1]=4 32 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|0,0,0]=2 33 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,1]=4 34 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [2,0,0,0,0,0|1,0,1]=4 35 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.6 CC(=O)C1=CN=CC=N1 HMDB0031861 [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|1,0,1]=4 42 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|0,0,2]=4 43 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [2,0,0,0,0,0|0,1,1]=4 44 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [2,0,0,0,0,0|0,0,0]=2 50 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [2,0,0,0,0,0|0,0,0]=2 54 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [2,0,0,0,0,0|1,0,1]=4 56 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.69 CC1=NC(C)=C(C)N=C1 HMDB0031844 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.3 CC(=C)C1=CC=C(C=O)C=C1 HMDB0035925 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [1,1,0,0,0,0|0,0,0]=2 62 B11R1.3 COC1=CC=C(C=C1)C(O)=O HMDB0001101 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [1,1,0,0,0,0|0,0,2]=4 64 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [1,1,0,0,0,0|0,0,1]=3 69 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [1,1,0,0,0,0|0,0,2]=4 70 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.277 CC1=CC(C)=C(C=O)C=C1C HMDB0032015 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.464 CC1=CC(C)=C(C=O)C(C)=C1 HMDB0032016 [1,1,0,0,0,0|0,0,0]=2 74 B11R1.53 CCC1=NC=CN=C1C(C)=O HMDB0029410 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.53 CNC1=CC=CC=C1C(O)=O HMDB0032609 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.53 COC1=CC=CC=C1C(C)=O HMDB0032569 [1,1,0,0,0,0|0,0,0]=2 77 B11R1.53 COC1=CC=CC=C1C(O)=O HMDB0032604 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.53 NC(=O)C1=C(N=CC=C1)CC HMDB0013704 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.53 OCC1=CC=CC=C1C(O)=O HMDB0032594 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.156 CC(=O)C1=C(O)C=CC=C1O HMDB0029660 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.156 OC(=O)C1=C(O)C=CC=C1O HMDB0013676 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.159 NC1=C(O)C=CC=C1C(O)=O HMDB0001476 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.159 OC(=O)C1=C(O)C(O)=CC=C1 HMDB0000397 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 HMDB0000152 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.222 COC(=O)C1=CC=CC=C1N HMDB0029703 [1,1,0,0,0,0|1,0,0]=3 89 B13R1.428 COC1=CC(O)=C(C(C)=O)C(O)=C1 HMDB0029646 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.4656 COC(=O)C1=C(O)C=C(O)C=C1O HMDB0029650 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.1511 CCCC(=O)C1=C(O)C=C(O)C=C1 HMDB0032128 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.645 CC(=O)SC1=C(C)OC(C)=C1 HMDB0032234 [0,0,1,1,0,0|2,0,0]=4 93 B11R1.175 CC(=C)C1CC=C(C1)C(C)=O HMDB0036070 [0,0,1,1,0,0|0,0,2]=4 94 B11R2.1 CC1=CNC2=C1C=CC=C2 HMDB0000466 [1,0,0,1,0,0|2,0,0]=4 95 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [1,0,0,1,0,0|1,0,0]=3 96 B13R2.3683 CC1=CC2=C(OC(=O)C=C2)C=C1 HMDB0032394 [0,0,0,1,0,1|0,0,2]=4 97 B13R2.5180 CC1=NC=C2C(=O)OCC2=C1O HMDB0004291 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,0,0,0,0,1|0,0,0]=2 99 B11R1.86 CC(=O)OC1=CC=CC=C1C HMDB0032073 [1,0,0,0,0,1|0,0,0]=2 100 B11R1.86 OC(=O)CC1=CC=CC=C1O HMDB0000669 [1,0,0,0,0,1|2,0,0]=4 101 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 HMDB0029662 [0,0,0,0,1,1|2,0,0]=4