0  B5R0.5  C[C@@H](C(=O)[O-])[NH3+] C00041_2 [0,0,0,0,1,0|2,0,1]=4
1  B5R0.5  C[C@H](C(=O)[O-])[NH3+] C00041_1 [0,0,0,0,1,0|2,0,1]=4
2  B7R0.6  CC(=O)NCC(=O)O Glycine_nacetyl [0,0,0,0,0,1|3,0,0]=4