pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.33	IUPAC digitized pKa	1	0	Nc1[nH+]cccc1[N+](=O)[O-],[NH3+]c1ncccc1[N+](=O)[O-]	Nc1ncccc1[N+](=O)[O-]	mol1597	Nc1ncccc1[N+](=O)[O-]
2.32999992370605	QSARToolbox	1	0	Nc1[nH+]cccc1[N+](=O)[O-],[NH3+]c1ncccc1[N+](=O)[O-]	Nc1ncccc1[N+](=O)[O-]	mol1597	Nc1ncccc1[N+](=O)[O-]
2.42	AttenGpKa training set	1	0	Nc1[nH+]cccc1[N+](=O)[O-],[NH3+]c1ncccc1[N+](=O)[O-]	Nc1ncccc1[N+](=O)[O-]	mol1597	Nc1ncccc1[N+](=O)[O-]