pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.84	IUPAC digitized pKa	0	-1	Nc1cc(O)cc2ccccc12	Nc1cc([O-])cc2ccccc12	mol3527	Nc1cc(O)cc2ccccc12
9.84000015258789	QSARToolbox	0	-1	Nc1cc(O)cc2ccccc12	Nc1cc([O-])cc2ccccc12	mol3527	Nc1cc(O)cc2ccccc12
3.3	IUPAC digitized pKa	1	0	[NH3+]c1cc(O)cc2ccccc12	Nc1cc(O)cc2ccccc12	mol3527	Nc1cc(O)cc2ccccc12
3.45	IUPAC digitized pKa	1	0	[NH3+]c1cc(O)cc2ccccc12	Nc1cc(O)cc2ccccc12	mol3527	Nc1cc(O)cc2ccccc12
3.45000004768372	QSARToolbox	1	0	[NH3+]c1cc(O)cc2ccccc12	Nc1cc(O)cc2ccccc12	mol3527	Nc1cc(O)cc2ccccc12
3.29999995231628	QSARToolbox	1	0	[NH3+]c1cc(O)cc2ccccc12	Nc1cc(O)cc2ccccc12	mol3527	Nc1cc(O)cc2ccccc12