pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.87	IUPAC digitized pKa	1	0	Nc1ccc([NH3+])c2ccccc12	Nc1ccc(N)c2ccccc12	mol3538	Nc1ccc(N)c2ccccc12
5.57	OCHEM	1	0	Nc1ccc([NH3+])c2ccccc12	Nc1ccc(N)c2ccccc12	mol3538	Nc1ccc(N)c2ccccc12
5.86999988555908	QSARToolbox	1	0	Nc1ccc([NH3+])c2ccccc12	Nc1ccc(N)c2ccccc12	mol3538	Nc1ccc(N)c2ccccc12
2.78	IUPAC digitized pKa	2	1	[NH3+]c1ccc([NH3+])c2ccccc12	Nc1ccc([NH3+])c2ccccc12	mol3538	Nc1ccc(N)c2ccccc12
2.77999997138977	QSARToolbox	2	1	[NH3+]c1ccc([NH3+])c2ccccc12	Nc1ccc([NH3+])c2ccccc12	mol3538	Nc1ccc(N)c2ccccc12