pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.33999991416931	QSARToolbox	0	-1	O=C([O-])[C@@H]1CCC[NH+]1c1ccc([N+](=O)[O-])cc1,O=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1	O=C([O-])[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1	mol35990	O=C(O)C1CCCN1c1ccc([N+](=O)[O-])cc1