0  B7R0.4  CC(C)CCNC=O NPA028555 [0,0,0,0,0,0|0,1,2]=3
1  B6R0.4  CC(C)CNC=O NPA028553 [1,0,0,0,0,0|0,1,2]=4
2  B6R0.4  C[C@H](CCSC)O NPA014443 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.28  CC(=O)NCCC(C)C NPA028556 [0,1,0,0,0,0|0,1,2]=4
4  B8R0.28  CC(C)CCCC(=O)C NPA012789 [0,1,0,0,0,0|1,1,1]=4
5  B8R0.28  CC(C)CCNS(=O)C NPA028558 [0,1,0,0,0,0|1,1,1]=4
6  B7R0.3  CCC(C)CCCO NPA009905 [1,1,0,0,0,0|0,1,1]=4