pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.26	Datawarrior	0	-1	CC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]	CC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-]	mol14341	CC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]
3.25999999046326	QSARToolbox	0	-1	CC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]	CC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-]	mol14341	CC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]