pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
17.03	AttenGpKa training set	0	-1	OCc1ccncc1	[O-]Cc1ccncc1	mol6504	OCc1ccncc1
5.33	IUPAC digitized pKa	1	0	OCc1cc[nH+]cc1	OCc1ccncc1	mol6504	OCc1ccncc1
5.45	IUPAC digitized pKa	1	0	OCc1cc[nH+]cc1	OCc1ccncc1	mol6504	OCc1ccncc1
5.41	Datawarrior	1	0	OCc1cc[nH+]cc1	OCc1ccncc1	mol6504	OCc1ccncc1
5.4099998	OCHEM	1	0	OCc1cc[nH+]cc1	OCc1ccncc1	mol6504	OCc1ccncc1
5.39	OCHEM	1	0	OCc1cc[nH+]cc1	OCc1ccncc1	mol6504	OCc1ccncc1
5.40999984741211	QSARToolbox	1	0	OCc1cc[nH+]cc1	OCc1ccncc1	mol6504	OCc1ccncc1
5.32999992370606	QSARToolbox	1	0	OCc1cc[nH+]cc1	OCc1ccncc1	mol6504	OCc1ccncc1