0  B4R0.1  NCC(=O)O DB00145 [1,1,0,0,0,0|1,0,1]=4
1  B6R0.3  N[C@@H](CO)C(=O)O DB00133 [0,2,0,0,0,0|1,0,1]=4
2  B6R0.3  N[C@@H](CS)C(=O)O DB00151 [0,2,0,0,0,0|1,0,1]=4
3  B6R0.5  C[N+](C)(C)CCO DB00122 [0,2,0,0,0,0|1,0,0]=3
4  B6R0.5  NCCS(=O)(=O)O DB01956 [0,2,0,0,0,0|2,0,0]=4