0  B7R0.1  CCCCCCC=C HMDB0032449 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.1  CCCCCCC=O HMDB0031475 [0,0,0,0,0,0|2,1,1]=4
2  B7R0.1  CCCCCCCC HMDB0001485 [0,0,0,0,0,0|3,0,1]=4
3  B7R0.1  CCCCCCCO HMDB0031479 [0,0,0,0,0,0|2,1,1]=4
4  B7R0.1  CCCCCCCS HMDB0032304 [0,0,0,0,0,0|2,0,2]=4
5  B7R0.1  CCCCCCOC HMDB0032407 [0,0,0,0,0,0|2,1,1]=4
6  B7R0.1  CCCCCSSC HMDB0031161 [0,0,0,0,0,0|3,0,1]=4
7  B6R0.6  CCCCCC=O HMDB0005994 [1,0,0,0,0,0|1,1,1]=4
8  B6R0.6  CCCCCCC HMDB0031447 [1,0,0,0,0,0|2,0,1]=4
9  B6R0.6  CCCCCCN HMDB0032323 [1,0,0,0,0,0|2,0,1]=4
10  B6R0.6  CCCCCCO HMDB0012971 [1,0,0,0,0,0|1,1,1]=4
11  B6R0.6  CCCCCSS HMDB0031160 [1,0,0,0,0,0|2,0,1]=4
12  B6R0.6  CCCCN=C=S HMDB0031328 [1,0,0,0,0,0|0,0,0]=1
13  B6R0.6  CCCCON=O HMDB0031329 [1,0,0,0,0,0|2,1,0]=4
14  B6R0.6  CNCCCCN HMDB0003661 [1,0,0,0,0,0|2,0,1]=4
15  B6R0.6  CSCSCSC HMDB0032547 [1,0,0,0,0,0|2,0,1]=4
16  B8R0.4  CS/C=C\CCN=C=S HMDB0031576 [0,1,0,0,0,0|0,0,1]=2
17  B8R0.6  COC(=O)CCCSC HMDB0037619 [0,1,0,0,0,0|3,0,0]=4
18  B8R0.7  CS(=O)CCCN=C=S HMDB0006095 [0,1,0,0,0,0|0,0,1]=2
19  B8R0.7  CSCCCOC(C)=O HMDB0031717 [0,1,0,0,0,0|1,1,1]=4
20  B8R1.36  N#CCCCC1CS1 HMDB0031337 [0,0,0,1,0,0|2,0,1]=4
21  B5R0.2  C=CCN=C=S HMDB0005843 [2,0,0,0,0,0|0,0,2]=4
22  B5R0.2  CCCCC=O HMDB0031206 [2,0,0,0,0,0|0,1,1]=4
23  B5R0.2  CCCCCC HMDB0029600 [2,0,0,0,0,0|1,0,1]=4
24  B5R0.2  CCCCCO HMDB0013036 [2,0,0,0,0,0|0,1,1]=4
25  B5R0.2  CCCCCS HMDB0032457 [2,0,0,0,0,0|0,0,2]=4
26  B5R0.2  CCCSSC HMDB0031872 [2,0,0,0,0,0|1,0,1]=4
27  B5R0.2  CSCCC=O HMDB0031857 [2,0,0,0,0,0|0,1,1]=4
28  B5R0.2  CSCCCO HMDB0031716 [2,0,0,0,0,0|0,1,0]=3
29  B5R0.2  CSCCSC HMDB0031708 [2,0,0,0,0,0|1,0,1]=4
30  B7R0.4  CC(C)CCN=C=S HMDB0032341 [1,1,0,0,0,0|0,0,0]=2
31  B9R0.2  CS(=O)/C=C/CCN=C=S HMDB0031573 [0,2,0,0,0,0|0,0,2]=4
32  B9R0.45  CSCCCCCN=C=S HMDB0031577 [0,2,0,0,0,0|0,0,0]=2