0  B6R0.1  CCCC(C)CO 7745 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,1,0,0,0,0|0,0,0]=1
2  B6R0.2  C[C@@H](CC(=O)[O-])O 23665017 [1,1,0,0,0,0|2,0,0]=4