0  B9R0.45  CCCCCCCCCC HMDB0031450 [0,0,0,0,0,0|4,0,0]=4
1  B9R0.45  CCCCCCCCCO HMDB0031265 [0,0,0,0,0,0|4,0,0]=4
2  B9R0.45  NCCC/C=N/CCCN HMDB0012925 [0,0,0,0,0,0|3,0,1]=4
3  B9R0.45  NCCCCNCCCN HMDB0001257 [0,0,0,0,0,0|3,0,0]=3
4  B9R0.45  NCCNCCNCCN HMDB0032466 [0,0,0,0,0,0|0,0,0]=0
5  B8R0.4  CCCCCCCCC HMDB0029595 [1,0,0,0,0,0|3,0,0]=4
6  B8R0.4  CCCCCCCCO HMDB0001183 [1,0,0,0,0,0|3,0,0]=4
7  B8R0.4  NCCCNCCCN HMDB0011634 [1,0,0,0,0,0|2,0,0]=3
8  B10R0.71  NCCCCCNCCCN HMDB0012189 [0,1,0,0,0,0|1,0,0]=2
9  B10R0.71  NCCCCNCCCCN HMDB0031506 [0,1,0,0,0,0|2,0,0]=3
10  B7R0.1  CCCCCCCC HMDB0001485 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.1  CCCCCCCO HMDB0031479 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.1  CCCCCCCS HMDB0032304 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.1  CCCCOCCO HMDB0031327 [2,0,0,0,0,0|2,0,0]=4
14  B7R0.1  SCCCCCCS HMDB0031709 [2,0,0,0,0,0|2,0,0]=4
15  B9R0.2  CC(=O)NCCCCCN HMDB0002284 [1,1,0,0,0,0|1,0,1]=4
16  B9R0.2  NCCCCCNC(N)=N HMDB0031505 [1,1,0,0,0,0|1,0,1]=4
17  B9R1.8  CCCC1CCCCN1 HMDB0030285 [1,0,0,1,0,0|2,0,0]=4