0  B7R0.1  C=CCCCCCC BBL027759 [0,0,0,0,0,0|2,0,0]=2
1  B7R0.1  C=CCNCCC#N BBL023289 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.1  CCCCCCCI BBL027321 [0,0,0,0,0,0|3,0,1]=4
3  B7R0.1  NCCSSCCN BBL010640 [0,0,0,0,0,0|2,0,1]=3
4  B6R0.6  CCCCCCBr BBL012217 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.6  CCCCCCI BBL011465 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.6  CCCCCCN BBL011106 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.6  CCCCOC=O BBL012218 [1,0,0,0,0,0|2,1,0]=4
8  B6R0.6  CCCNCCC BBL027756 [1,0,0,0,0,0|1,0,2]=4
9  B6R0.6  NCCSCCO BBL028287 [1,0,0,0,0,0|2,0,1]=4
10  B8R0.7  CCCCCCC(C)=O BBL011429 [0,1,0,0,0,0|2,0,1]=4
11  B8R0.7  CCCNCCC(N)=O BBL024551 [0,1,0,0,0,0|3,0,0]=4
12  B8R0.7  CCCS\C=C/C(=O)[O-] BBL033998 [0,1,0,0,0,0|2,0,1]=4
13  B8R1.5  CC1CCCCC1=O BBL011421 [0,0,0,1,0,0|3,0,0]=4
14  B8R1.8  NCCC1=CC=CS1 BBL001466 [0,0,0,1,0,0|2,0,1]=4
15  B5R0.2  CCCCC=O BBL027632 [2,0,0,0,0,0|1,0,0]=3
16  B5R0.2  CCCCCN BBL011398 [2,0,0,0,0,0|1,0,1]=4
17  B7R0.4  C=CCNCC(C)C BBL000393 [1,1,0,0,0,0|1,0,0]=3
18  B7R0.4  CCCCCC(C)=O BBL011381 [1,1,0,0,0,0|1,0,1]=4
19  B7R0.4  CCCOCC(=O)O BBL008506 [1,1,0,0,0,0|1,1,0]=4
20  B7R1.24  C1=CCOCOC1 BBL027429 [1,0,0,1,0,0|1,1,0]=4
21  B9R1.8  C=CCN1CCCCC1 BBL011344 [0,1,0,1,0,0|2,0,0]=4