pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.20000004768372	QSARToolbox	0	-1	O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	mol35973	O=C(NC(Cc1ccccc1)C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
