0  B9R1.69  CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,0,0,0,0,0|2,0,0]=2
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|4,0,0]=4
3  B9R1.69  CC1=CC=C(O)C=C1C HMDB0032151 [0,0,0,0,0,0|3,0,0]=3
4  B9R1.69  CC1=NC(C)=C(C)N=C1 HMDB0031844 [0,0,0,0,0,0|0,0,0]=0
5  B8R1.3  CC1=CC=C(C)C=C1 HMDB0031461 [1,0,0,0,0,0|2,0,0]=3
6  B8R1.3  CC1=CC=C(O)C=C1 HMDB0001858 [1,0,0,0,0,0|3,0,0]=4
7  B8R1.4  CC1=CC(C)=NC=C1 HMDB0032244 [1,0,0,0,0,0|3,0,0]=4
8  B8R1.4  CC1=CC=CC(O)=C1 HMDB0002048 [1,0,0,0,0,0|3,0,0]=4
9  B8R1.5  CC1=C(S)C=CC=C1 HMDB0029634 [1,0,0,0,0,0|3,0,0]=4
10  B10R1.22  CC1=CC(C)=C(O)C(C)=C1 HMDB0032544 [0,1,0,0,0,0|3,0,0]=4
11  B10R1.25  CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [0,1,0,0,0,0|2,0,1]=4
12  B10R1.25  COC1=C(C)C=C(C)C=C1 HMDB0032149 [0,1,0,0,0,0|2,0,0]=3
13  B10R1.30  COC1=C(O)C=CC(C)=C1 HMDB0032136 [0,1,0,0,0,0|3,0,0]=4
14  B10R1.119  CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [0,1,0,0,0,0|2,0,0]=3
15  B10R1.176  CCC1=CN=C(C)C(C)=N1 HMDB0029727 [0,1,0,0,0,0|0,0,0]=1
16  B8R0.9  C/C=C(/C)CCC(C)=O HMDB0031591 [0,0,1,0,0,0|2,0,1]=4
17  B8R1.18  CC1=CC(C)=C(C)O1 HMDB0029721 [0,0,0,0,1,0|1,0,0]=2
18  B8R1.18  CC1OC(C)=CC1=O HMDB0032233 [0,0,0,0,1,0|2,0,1]=4
19  B8R1.18  CC1OC(C)C(C)=N1 HMDB0031199 [0,0,0,0,1,0|1,0,2]=4
20  B8R1.50  CN1C(C)=CC=C1C HMDB0029722 [0,0,0,0,1,0|2,0,0]=3
21  B7R1.3  OC1=CC=CC=N1 HMDB0013751 [2,0,0,0,0,0|2,0,0]=4
22  B9R1.1  CCC1=CN=C(C)C=C1 HMDB0029729 [1,1,0,0,0,0|1,0,0]=3
23  B9R1.1  COC1=CC=C(C)C=C1 HMDB0032076 [1,1,0,0,0,0|2,0,0]=4
24  B9R1.3  CC1=CC=CC(C)=C1O HMDB0032150 [1,1,0,0,0,0|2,0,0]=4
25  B9R1.3  CC1=CC=CC(C)=C1S HMDB0032019 [1,1,0,0,0,0|2,0,0]=4
26  B9R1.15  COC1=C(C)N=CC=N1 HMDB0031852 [1,1,0,0,0,0|0,0,0]=2
27  B9R1.15  COC1=CC=CC=C1C HMDB0032074 [1,1,0,0,0,0|2,0,0]=4
28  B11R1.166  CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,2,0,0,0,0|2,0,0]=4
29  B11R1.277  CC1=CC(C)=C(C=O)C=C1C HMDB0032015 [0,2,0,0,0,0|2,0,0]=4
30  B11R1.72  CC1=C(C)C(C=O)=C(C)C=C1 HMDB0032014 [0,2,0,0,0,0|2,0,0]=4
31  B11R1.182  CCCC1=C(C)N=CC(C)=N1 HMDB0031841 [0,2,0,0,0,0|0,0,0]=2