0  B5R0.2  NCCCCN HMDB0001414 [0,0,0,0,0,0|4,0,0]=4
1  B4R0.2  CCCCO HMDB0004327 [1,0,0,0,0,0|1,1,0]=3
2  B4R0.2  CSCC=C HMDB0031653 [1,0,0,0,0,0|0,0,2]=3
3  B4R0.2  CSSSC HMDB0013780 [1,0,0,0,0,0|1,0,0]=2
4  B4R0.2  OCCC=O HMDB0003453 [1,0,0,0,0,0|2,1,0]=4
5  B6R0.6  CNCCCCN HMDB0003661 [0,1,0,0,0,0|2,0,0]=3
6  B6R0.6  NCCCCCN HMDB0002322 [0,1,0,0,0,0|3,0,0]=4
7  B6R1.1  C1CCNCC1 HMDB0034301 [0,0,0,1,0,0|2,0,0]=3
8  B3R0.1  CCCO HMDB0000820 [2,0,0,0,0,0|0,1,0]=3
9  B5R0.1  CC(C)CCO HMDB0006007 [1,1,0,0,0,0|1,1,0]=4
10  B5R0.1  CCCC(O)=O HMDB0000039 [1,1,0,0,0,0|1,1,0]=4
11  B5R1.1  C1CCNC1 HMDB0031641 [1,0,0,1,0,0|1,0,0]=3