pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.41	Datawarrior	0	-1	O=C(O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	O=C([O-])[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	mol15752	O=C(O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1
4.40999984741211	QSARToolbox	0	-1	O=C(O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	O=C([O-])[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	mol15752	O=C(O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1