pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.82	Datawarrior	0	-1	CCCc1ncnc2c(O)cccc12	CCCc1ncnc2c([O-])cccc12	mol13397	CCCc1ncnc2c(O)cccc12
8.8199997	OCHEM	0	-1	CCCc1ncnc2c(O)cccc12	CCCc1ncnc2c([O-])cccc12	mol13397	CCCc1ncnc2c(O)cccc12
8.81999969482422	QSARToolbox	0	-1	CCCc1ncnc2c(O)cccc12	CCCc1ncnc2c([O-])cccc12	mol13397	CCCc1ncnc2c(O)cccc12
8.75	AttenGpKa training set	0	-1	CCCc1ncnc2c(O)cccc12	CCCc1ncnc2c([O-])cccc12	mol13397	CCCc1ncnc2c(O)cccc12