pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55	IUPAC digitized pKa	1	0	NNc1nccc[nH+]1,N[NH2+]c1ncccn1,[NH3+]Nc1ncccn1	NNc1ncccn1	mol7460	NNc1ncccn1
4.25	OCHEM	1	0	NNc1nccc[nH+]1,N[NH2+]c1ncccn1,[NH3+]Nc1ncccn1	NNc1ncccn1	mol7460	NNc1ncccn1
4.55000019073486	QSARToolbox	1	0	NNc1nccc[nH+]1,N[NH2+]c1ncccn1,[NH3+]Nc1ncccn1	NNc1ncccn1	mol7460	NNc1ncccn1
-0.46	IUPAC digitized pKa	2	1	[NH3+]Nc1nccc[nH+]1,[NH3+][NH2+]c1ncccn1,NNc1[nH+]ccc[nH+]1	NNc1nccc[nH+]1,N[NH2+]c1ncccn1,[NH3+]Nc1ncccn1	mol7460	NNc1ncccn1