pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	IUPAC digitized pKa	1	0	c1cncc(-c2ccc[nH+]c2)c1	c1cncc(-c2cccnc2)c1	mol3785	c1cncc(-c2cccnc2)c1
4.5999999	OCHEM	1	0	c1cncc(-c2ccc[nH+]c2)c1	c1cncc(-c2cccnc2)c1	mol3785	c1cncc(-c2cccnc2)c1
4.59999990463257	QSARToolbox	1	0	c1cncc(-c2ccc[nH+]c2)c1	c1cncc(-c2cccnc2)c1	mol3785	c1cncc(-c2cccnc2)c1
3.0	IUPAC digitized pKa	2	1	c1c[nH+]cc(-c2ccc[nH+]c2)c1	c1cncc(-c2ccc[nH+]c2)c1	mol3785	c1cncc(-c2cccnc2)c1