pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	IUPAC digitized pKa	1	0	Nc1ccc(N=[NH+]c2ccccc2)c(N)c1,Nc1ccc(N=Nc2ccccc2)c([NH3+])c1,Nc1cc([NH3+])ccc1N=Nc1ccccc1	Nc1ccc(N=Nc2ccccc2)c(N)c1	mol5751	Nc1ccc(N=Nc2ccccc2)c(N)c1
8.69999980926514	QSARToolbox	1	0	Nc1ccc(N=[NH+]c2ccccc2)c(N)c1,Nc1ccc(N=Nc2ccccc2)c([NH3+])c1,Nc1cc([NH3+])ccc1N=Nc1ccccc1	Nc1ccc(N=Nc2ccccc2)c(N)c1	mol5751	Nc1ccc(N=Nc2ccccc2)c(N)c1