pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.26	IUPAC digitized pKa	1	0	Nc1nc([NH3+])ncc1Oc1ccccc1,Nc1ncc(Oc2ccccc2)c(N)[nH+]1,Nc1ncc(Oc2ccccc2)c([NH3+])n1,Nc1nc(N)c(Oc2ccccc2)c[nH+]1	Nc1ncc(Oc2ccccc2)c(N)n1	mol7312	Nc1ncc(Oc2ccccc2)c(N)n1
6.26000022888184	QSARToolbox	1	0	Nc1nc([NH3+])ncc1Oc1ccccc1,Nc1ncc(Oc2ccccc2)c(N)[nH+]1,Nc1ncc(Oc2ccccc2)c([NH3+])n1,Nc1nc(N)c(Oc2ccccc2)c[nH+]1	Nc1ncc(Oc2ccccc2)c(N)n1	mol7312	Nc1ncc(Oc2ccccc2)c(N)n1
