0  B6R0.5  C[N+](C)(C)CCO 1302 [1,0,0,0,0,0|0,0,2]=3
1  B7R0.16  CC(C)[C@@H](C(=O)O)N 1154 [1,1,0,0,0,0|1,0,1]=4
2  B5R0.5  CC(C(=O)[O-])O 1258 [1,0,0,0,1,0|2,0,0]=4
3  B5R0.5  CC(C(=O)[O-])O 293 [1,0,0,0,1,0|2,0,0]=4
4  B7R0.6  CC(C)COC(=O)C 721 [1,0,0,0,0,1|2,0,0]=4