pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.24	IUPAC digitized pKa	0	-1	Nc1ccc(O)c2ncccc12	Nc1ccc([O-])c2ncccc12	mol4358	Nc1ccc(O)c2ncccc12
11.2399997711182	QSARToolbox	0	-1	Nc1ccc(O)c2ncccc12	Nc1ccc([O-])c2ncccc12	mol4358	Nc1ccc(O)c2ncccc12
5.67	IUPAC digitized pKa	1	0	Nc1ccc(O)c2[nH+]cccc12,[NH3+]c1ccc(O)c2ncccc12	Nc1ccc(O)c2ncccc12	mol4358	Nc1ccc(O)c2ncccc12
5.6700001	OCHEM	1	0	Nc1ccc(O)c2[nH+]cccc12,[NH3+]c1ccc(O)c2ncccc12	Nc1ccc(O)c2ncccc12	mol4358	Nc1ccc(O)c2ncccc12
5.67000007629395	QSARToolbox	1	0	Nc1ccc(O)c2[nH+]cccc12,[NH3+]c1ccc(O)c2ncccc12	Nc1ccc(O)c2ncccc12	mol4358	Nc1ccc(O)c2ncccc12
1.82000005245209	QSARToolbox	2	1	[NH3+]c1ccc(O)c2[nH+]cccc12	Nc1ccc(O)c2[nH+]cccc12,[NH3+]c1ccc(O)c2ncccc12	mol4358	Nc1ccc(O)c2ncccc12