0 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=NC(C)=C(C)N=C1 HMDB0031844 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [1,0,0,0,0,0|2,1,0]=4 17 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HMDB0032544 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,0,1,0,0,0|2,0,1]=4 29 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,0,0,0,1,0|2,0,1]=4 31 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,0,0,0,1,0|2,0,0]=3 32 B7R0.1 O=C/C=C/C=C\C=O HMDB0031180 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [1,0,1,0,0,0|1,0,1]=4 34 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [1,0,1,0,0,0|2,0,0]=4 35 B7R1.3 CC1=CC=CCC1 HMDB0031532 [2,0,0,0,0,0|1,0,1]=4 36 B7R1.3 CC1=CCCC=C1 HMDB0032395 [2,0,0,0,0,0|1,0,1]=4 37 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [2,0,0,0,0,0|2,0,0]=4 38 B7R1.3 OC1=CC=CC=N1 HMDB0013751 [2,0,0,0,0,0|0,0,2]=4 39 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,1,0,0,0,0|1,0,0]=3 40 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.3 CC1=C(C)C(O)=CC=C1 HMDB0032148 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.3 CC1=CC=CC(C)=C1O HMDB0032150 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.3 CC1=CC=CC(C)=C1S HMDB0032019 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.3 OC1=CC=CC(O)=C1O HMDB0013674 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.34 OC1=CC(O)=CC(O)=C1 HMDB0013675 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,1,0,0,0,0|1,1,0]=4 58 B9R1.15 OC1=C(COC=C1)C=O HMDB0031256 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,1,0,0,1,0|1,0,1]=4 60 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [0,1,0,0,1,0|1,0,1]=4 61 B9R1.132 CCC1=C(O)C(=O)CO1 HMDB0031847 [0,1,0,0,1,0|2,0,0]=4 62 B11R1.464 CC1=CC(C)=C(C=O)C(C)=C1 HMDB0032016 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.166 OC1=CC(O)=C(C=C1)[N+]([O-])=O HMDB0006200 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.277 CC1=CC(C)=C(C=O)C=C1C HMDB0032015 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.280 COC1=C(O)C=CC(CO)=C1 HMDB0032012 [0,2,0,0,0,0|1,0,1]=4 69 B11R1.280 COC1=CC(CN)=CC=C1O HMDB0012309 [0,2,0,0,0,0|1,0,1]=4 70 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,2,0,0,0,0|1,0,1]=4 71 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 HMDB0012219 [0,2,0,0,0,0|1,0,1]=4 73 B11R1.192 NCCC1=CC(O)=C(O)C=C1 HMDB0000073 [0,2,0,0,0,0|1,0,1]=4 74 B11R1.192 OC1=C(O)C=C(CC=O)C=C1 HMDB0003791 [0,2,0,0,0,0|1,0,1]=4 75 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [1,0,0,0,1,0|0,0,2]=4 76 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [1,0,0,0,1,0|1,0,1]=4