0  B10R1.21  CCCCCC1=CC=CO1 HMDB0013824 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.21  CCCCCC1=CC=CO1 HMDB0031084 [0,0,0,0,0,0|0,0,0]=0
2  B11R1.4  CCCCCCC1=CC=CS1 HMDB0032329 [0,1,0,0,0,0|0,1,0]=2
3  B11R1.4  CCCSSCC1=CC=CO1 HMDB0032289 [0,1,0,0,0,0|1,0,0]=2
4  B11R1.27  CCCCCC1CCC(=O)O1 HMDB0031531 [0,1,0,0,0,0|0,0,3]=4
5  B11R1.27  CCCCCC1OC(=O)C=C1 HMDB0032442 [0,1,0,0,0,0|0,0,1]=2
6  B9R0.5  CCCCCC(=O)OCC HMDB0040209 [0,0,1,0,0,0|1,0,2]=4
7  B9R0.45  CCCC/C=C/C=C/CO HMDB0034845 [0,0,1,0,0,0|0,0,2]=3
8  B9R0.45  CCCC/C=C\C=C/CO HMDB0038400 [0,0,1,0,0,0|0,0,2]=3
9  B9R0.45  CCCCC/C=C/CCO HMDB0041601 [0,0,1,0,0,0|0,0,2]=3
10  B9R0.45  CCCCC/C=C\CCO HMDB0030959 [0,0,1,0,0,0|0,0,2]=3
11  B9R0.45  CCCCCC/C=C/CO HMDB0041498 [0,0,1,0,0,0|0,0,2]=3
12  B9R0.45  CCCCCC/C=C\C=O HMDB0031269 [0,0,1,0,0,0|0,0,2]=3
13  B9R0.45  CCCCCC/C=C\CO HMDB0041499 [0,0,1,0,0,0|0,0,2]=3
14  B8R0.1  CCCCC(=O)/C=C\C HMDB0031301 [1,0,1,0,0,0|0,0,2]=4
15  B8R0.1  CCCCC(O)/C=C/C HMDB0031300 [1,0,1,0,0,0|0,0,2]=4
16  B8R0.4  C(=O)C=CCCCCC HMDB0013809 [1,0,1,0,0,0|0,0,1]=3
17  B8R0.4  CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|0,0,2]=4
18  B8R0.4  CCC/C=C/C=C\CO HMDB0040151 [1,0,1,0,0,0|0,0,2]=4
19  B8R0.4  CCCC/C=C/CCO HMDB0035768 [1,0,1,0,0,0|0,0,2]=4
20  B8R0.4  CCCCC/C=C\C=O HMDB0030961 [1,0,1,0,0,0|0,0,1]=3
21  B8R0.4  CCCCCCCC=C HMDB0031270 [1,0,1,0,0,0|0,0,2]=4
22  B8R0.6  CCCCCC(=O)C=C HMDB0031309 [1,0,1,0,0,0|0,0,1]=3
23  B8R0.6  CCCCCC(O)C=C HMDB0031299 [1,0,1,0,0,0|0,0,1]=3
24  B10R0.91  CCCCCC(=O)OCC=C HMDB0040210 [0,1,1,0,0,0|1,0,0]=3
25  B10R0.91  CCCCCC(O)/C=C/C=O HMDB0004362 [0,1,1,0,0,0|0,0,1]=3
26  B10R0.4  CCCCCC/C=C\C(O)=O HMDB0031271 [0,1,1,0,0,0|0,0,1]=3
27  B10R0.71  CCCCC/C=C/C=C/CO HMDB0036196 [0,1,1,0,0,0|0,0,0]=2
28  B10R0.71  CCCCC/C=C\C=C\C=C HMDB0030944 [0,1,1,0,0,0|1,0,0]=3
29  B10R0.71  CCCCC/C=C\CCCO HMDB0032206 [0,1,1,0,0,0|0,0,2]=4
30  B10R0.71  CCCCCCC/C=C/C=O HMDB0030999 [0,1,1,0,0,0|0,0,2]=4
31  B10R0.71  CCCCCCC/C=C/CO HMDB0032532 [0,1,1,0,0,0|0,0,2]=4
32  B10R0.71  OCCC=CCCCCCC HMDB0013810 [0,1,1,0,0,0|0,0,2]=4
33  B10R0.74  CCCCC/C=C/C(=O)OC HMDB0032413 [0,1,1,0,0,0|2,0,0]=4
34  B10R0.74  CCCCC/C=C\C(=O)OC HMDB0037496 [0,1,1,0,0,0|2,0,0]=4
35  B10R1.66  CC(=O)CCC1=CC=CO1 HMDB0032290 [1,1,0,0,0,0|0,0,1]=3
36  B12R1.8  CCCCOCC1=CC=CC=C1 HMDB0031311 [0,1,0,0,0,1|1,0,0]=3
37  B12R1.8  OCCCCCC1=CC=CC=C1 HMDB0031624 [0,1,0,0,0,1|1,0,0]=3
38  B12R1.28  CCCCCC1=CC=CC(=O)O1 HMDB0031085 [0,1,0,0,0,1|0,0,0]=2
39  B12R1.30  CCCCC(=O)C1=CC=CC=C1 HMDB0031208 [0,1,0,0,0,1|1,0,1]=4
40  B12R1.32  CCCC(O)CC1=CC=CC=C1 HMDB0031625 [0,1,0,0,0,1|1,0,0]=3
41  B12R1.35  CCCCCC(=O)C1=CC=CO1 HMDB0032462 [0,2,0,0,0,0|0,0,0]=2
42  B12R1.51  CCOC(=O)CCC1=CC=CO1 HMDB0032921 [0,2,0,0,0,0|0,0,1]=3
43  B12R1.54  CC(O)CCC(O)C1=COC=C1 HMDB0030471 [0,2,0,0,0,0|2,0,0]=4
44  B10R1.4  CCCC1=CC=CC=C1O HMDB0032624 [0,0,1,1,0,0|0,0,2]=4