0  B8R1.1  CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,0,0|2,0,0]=3
1  B8R1.1  CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,0,0|2,0,0]=3
2  B8R1.1  CCC1=CSC(C)=N1 HMDB0029731 [1,0,0,0,0,0|2,0,0]=3
3  B8R1.1  CCC1=NC(C)=CS1 HMDB0029730 [1,0,0,0,0,0|0,0,0]=1
4  B8R0.28  CC(C)/C=C\C=C(C)C HMDB0031415 [0,0,1,0,0,0|2,0,0]=3
5  B8R0.28  CC(C)=C/C=C\C(C)=O HMDB0031582 [0,0,1,0,0,0|2,0,1]=4
6  B8R0.28  CC(C)C/C=C/C(C)=O HMDB0032403 [0,0,1,0,0,0|2,0,1]=4
7  B10R1.13  CC(C)=C1CCC(C)=CC1 HMDB0036994 [0,0,0,0,0,1|2,0,1]=4
8  B10R1.13  CC(C)C1=CC=C(C)CC1 HMDB0036995 [0,0,0,0,0,1|2,0,0]=3
9  B10R1.13  CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,0,0,0,0,1|3,0,0]=4
10  B10R1.13  CC(C)C1CC=C(C)C=C1 HMDB0035850 [0,0,0,0,0,1|2,0,1]=4
11  B10R1.13  [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [0,0,0,0,0,1|2,0,1]=4
12  B10R1.13  [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [0,0,0,0,0,1|2,0,1]=4
13  B10R1.113  CC(C)=C1CCC=C(C)C1 HMDB0033200 [0,0,0,0,0,1|2,0,1]=4
14  B7R0.6  CC(C)/C=C\C(C)=O HMDB0031550 [1,0,1,0,0,0|1,1,0]=4
15  B7R1.1  SCC1=CC=CS1 HMDB0031853 [2,0,0,0,0,0|2,0,0]=4
16  B11R1.3  CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,1,0,0,0,1|2,0,0]=4
17  B11R1.19  CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,1,0,0,0,1|2,0,0]=4
18  B11R1.21  CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,1,0,0,0,1|2,0,0]=4
19  B11R1.22  CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,0,1|2,0,0]=4
20  B7R0.16  CC(C)C(=O)C(C)=O HMDB0031559 [0,0,1,0,1,0|1,1,0]=4
21  B9R1.13  CC(C)CC1=NC=CS1 HMDB0031862 [1,0,0,0,0,1|0,0,0]=2