pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21999979019165	QSARToolbox	0	-1	C[C@H](NC(=O)c1ccccn1)C(=O)O,C[C@H](NC(=O)c1cccc[nH+]1)C(=O)[O-]	C[C@H](NC(=O)c1ccccn1)C(=O)[O-]	mol37282	C[C@H](NC(=O)c1ccccn1)C(=O)O