pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	IUPAC digitized pKa	1	0	[NH3+]Nc1ccc2ncccc2c1,N[NH2+]c1ccc2ncccc2c1,NNc1ccc2[nH+]cccc2c1	NNc1ccc2ncccc2c1	mol7745	NNc1ccc2ncccc2c1
3.53	IUPAC digitized pKa	2	1	[NH3+][NH2+]c1ccc2ncccc2c1,N[NH2+]c1ccc2[nH+]cccc2c1	[NH3+]Nc1ccc2ncccc2c1,N[NH2+]c1ccc2ncccc2c1,NNc1ccc2[nH+]cccc2c1	mol7745	NNc1ccc2ncccc2c1
3.52999997138977	QSARToolbox	2	1	[NH3+][NH2+]c1ccc2ncccc2c1,N[NH2+]c1ccc2[nH+]cccc2c1	[NH3+]Nc1ccc2ncccc2c1,N[NH2+]c1ccc2ncccc2c1,NNc1ccc2[nH+]cccc2c1	mol7745	NNc1ccc2ncccc2c1