0  B6R0.6  OCCSCCO T0329 [1,0,0,0,0,0|2,0,1]=4
1  B8R0.7  CCCCCCC(=O)O T3945 [0,1,0,0,0,0|3,0,0]=4
2  B7R0.4  CCCCCC(=O)O T3944 [1,1,0,0,0,0|2,0,0]=4