0  B9R0.2  CCCCCCCC(=O)O T3946 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.7  CCCCCCC(=O)O T3945 [1,0,0,0,0,0|1,0,2]=4
2  B7R0.4  CCCCCC(=O)O T3944 [2,0,0,0,0,0|1,0,1]=4