pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.74	IUPAC digitized pKa	1	0	Nc1nc(-c2ccccc2)cc(-c2ccccc2)[nH+]1,[NH3+]c1nc(-c2ccccc2)cc(-c2ccccc2)n1	Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	mol1339	Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
3.44	OCHEM	1	0	Nc1nc(-c2ccccc2)cc(-c2ccccc2)[nH+]1,[NH3+]c1nc(-c2ccccc2)cc(-c2ccccc2)n1	Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	mol1339	Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
3.74000000953674	QSARToolbox	1	0	Nc1nc(-c2ccccc2)cc(-c2ccccc2)[nH+]1,[NH3+]c1nc(-c2ccccc2)cc(-c2ccccc2)n1	Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	mol1339	Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1