0  B6R0.6  NCCCCCN T4895 [1,0,0,0,0,0|2,0,1]=4
1  B8R0.7  CCCCCCC(=O)O T3945 [0,1,0,0,0,0|1,1,1]=4
2  B5R0.2  NCCCCN T4865 [2,0,0,0,0,0|1,0,1]=4
3  B7R0.4  CCCCCC(=O)O T3944 [1,1,0,0,0,0|0,1,1]=4