pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.02	IUPAC digitized pKa	1	0	Nc1ccc(Cl)[nH+]c1N,Nc1nc(Cl)ccc1[NH3+],Nc1ccc(Cl)nc1[NH3+]	Nc1ccc(Cl)nc1N	mol6407	Nc1ccc(Cl)nc1N
3.20000004768372	QSARToolbox	1	0	Nc1ccc(Cl)[nH+]c1N,Nc1nc(Cl)ccc1[NH3+],Nc1ccc(Cl)nc1[NH3+]	Nc1ccc(Cl)nc1N	mol6407	Nc1ccc(Cl)nc1N
-0.910000026226044	QSARToolbox	2	1	[NH3+]c1ccc(Cl)nc1[NH3+],Nc1[nH+]c(Cl)ccc1[NH3+],Nc1ccc(Cl)[nH+]c1[NH3+]	Nc1ccc(Cl)[nH+]c1N,Nc1nc(Cl)ccc1[NH3+],Nc1ccc(Cl)nc1[NH3+]	mol6407	Nc1ccc(Cl)nc1N