pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.65	IUPAC digitized pKa	1	0	[NH3+]c1ccnnc1,Nc1cc[nH+]nc1,Nc1ccn[nH+]c1	Nc1ccnnc1	mol4017	Nc1ccnnc1
6.69	Datawarrior	1	0	[NH3+]c1ccnnc1,Nc1cc[nH+]nc1,Nc1ccn[nH+]c1	Nc1ccnnc1	mol4017	Nc1ccnnc1
6.6900001	OCHEM	1	0	[NH3+]c1ccnnc1,Nc1cc[nH+]nc1,Nc1ccn[nH+]c1	Nc1ccnnc1	mol4017	Nc1ccnnc1
6.65000009536743	QSARToolbox	1	0	[NH3+]c1ccnnc1,Nc1cc[nH+]nc1,Nc1ccn[nH+]c1	Nc1ccnnc1	mol4017	Nc1ccnnc1
6.69000005722046	QSARToolbox	1	0	[NH3+]c1ccnnc1,Nc1cc[nH+]nc1,Nc1ccn[nH+]c1	Nc1ccnnc1	mol4017	Nc1ccnnc1