pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.39000034332275	QSARToolbox	0	-1	NC(=O)CN[C@@H](c1ccccc1)C(C=O)C=O	NC(=O)CN[C@@H](c1ccccc1)[C-](C=O)C=O,[NH-]C(=O)CN[C@@H](c1ccccc1)C(C=O)C=O	mol37092	NC(=O)CNC(c1ccccc1)C(C=O)C=O