pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.02	IUPAC digitized pKa	1	0	Ic1cc[nH+]cc1	Ic1ccncc1	mol3724	Ic1ccncc1
4.19999980926514	QSARToolbox	1	0	Ic1cc[nH+]cc1	Ic1ccncc1	mol3724	Ic1ccncc1
4.03	AttenGpKa training set	1	0	Ic1cc[nH+]cc1	Ic1ccncc1	mol3724	Ic1ccncc1