0 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [0,0,0,0,0,0|2,1,1]=4 5 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [1,0,0,0,0,0|2,1,0]=4 15 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,0,0,0,1,0|3,0,0]=4 25 B7R0.1 O=C/C=C/C=C\C=O HMDB0031180 [1,0,1,0,0,0|1,0,1]=4 26 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [2,0,0,0,0,0|2,0,0]=4 27 B7R1.3 OC1=CC=CC=N1 HMDB0013751 [2,0,0,0,0,0|0,0,2]=4 28 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.3 CC1=C(C)C(O)=CC=C1 HMDB0032148 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.3 OC1=CC=CC(O)=C1O HMDB0013674 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.34 OC1=CC(O)=CC(O)=C1 HMDB0013675 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,1,0,0,0,0|1,1,0]=4 37 B9R1.15 OC1=C(COC=C1)C=O HMDB0031256 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.166 OC1=CC(O)=C(C=C1)[N+]([O-])=O HMDB0006200 [0,2,0,0,0,0|2,0,0]=4