pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.14	Datawarrior	0	-1	O=C(O)c1cc([N+](=O)[O-])ccc1CO	O=C([O-])c1cc([N+](=O)[O-])ccc1CO	mol13299	O=C(O)c1cc([N+](=O)[O-])ccc1CO
3.1400001	OCHEM	0	-1	O=C(O)c1cc([N+](=O)[O-])ccc1CO	O=C([O-])c1cc([N+](=O)[O-])ccc1CO	mol13299	O=C(O)c1cc([N+](=O)[O-])ccc1CO
3.14000010490417	QSARToolbox	0	-1	O=C(O)c1cc([N+](=O)[O-])ccc1CO	O=C([O-])c1cc([N+](=O)[O-])ccc1CO	mol13299	O=C(O)c1cc([N+](=O)[O-])ccc1CO