pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.53	IUPAC digitized pKa	1	0	Cc1nc(N)cc[nH+]1,Cc1nccc([NH3+])n1,Cc1nccc(N)[nH+]1	Cc1nccc(N)n1	mol7093	Cc1nccc(N)n1
5.89	IUPAC digitized pKa	1	0	Cc1nc(N)cc[nH+]1,Cc1nccc([NH3+])n1,Cc1nccc(N)[nH+]1	Cc1nccc(N)n1	mol7093	Cc1nccc(N)n1
6.53000020980835	QSARToolbox	1	0	Cc1nc(N)cc[nH+]1,Cc1nccc([NH3+])n1,Cc1nccc(N)[nH+]1	Cc1nccc(N)n1	mol7093	Cc1nccc(N)n1