pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.55	IUPAC digitized pKa	1	0	Nc1nc([NH3+])nc(N)c1Cc1ccccc1,Nc1nc(N)c(Cc2ccccc2)c(N)[nH+]1,Nc1nc(N)c(Cc2ccccc2)c([NH3+])n1	Nc1nc(N)c(Cc2ccccc2)c(N)n1	mol7524	Nc1nc(N)c(Cc2ccccc2)c(N)n1
6.55000019073486	QSARToolbox	1	0	Nc1nc([NH3+])nc(N)c1Cc1ccccc1,Nc1nc(N)c(Cc2ccccc2)c(N)[nH+]1,Nc1nc(N)c(Cc2ccccc2)c([NH3+])n1	Nc1nc(N)c(Cc2ccccc2)c(N)n1	mol7524	Nc1nc(N)c(Cc2ccccc2)c(N)n1