0  B6R0.2  C[C@@H](CC(=O)[O-])O 23665017 [0,0,0,0,0,0|1,0,1]=2
1  B6R0.1  CCCC(C)CO 7745 [1,1,0,0,0,0|1,0,1]=4
2  B8R0.23  CC(C)CC(=O)C(=O)[O-] 23680490 [0,1,0,0,0,1|0,0,1]=3
3  B8R0.23  CC(C)CC(=O)C(=O)[O-] 4137900 [0,1,0,0,0,1|0,0,1]=3