pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
17.28	AttenGpKa training set	0	-1	OCc1cccnc1	[O-]Cc1cccnc1	mol6503	OCc1cccnc1
4.9	IUPAC digitized pKa	1	0	OCc1ccc[nH+]c1	OCc1cccnc1	mol6503	OCc1cccnc1
4.95	IUPAC digitized pKa	1	0	OCc1ccc[nH+]c1	OCc1cccnc1	mol6503	OCc1cccnc1
5.0	Datawarrior	1	0	OCc1ccc[nH+]c1	OCc1cccnc1	mol6503	OCc1cccnc1
4.925	OCHEM	1	0	OCc1ccc[nH+]c1	OCc1cccnc1	mol6503	OCc1cccnc1
4.90000009536743	QSARToolbox	1	0	OCc1ccc[nH+]c1	OCc1cccnc1	mol6503	OCc1cccnc1