pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.27	Datawarrior	0	-1	O=C(O)Cn1cnnn1	O=C([O-])Cn1cnnn1	mol13581	O=C(O)Cn1cnnn1
2.26999998092651	QSARToolbox	0	-1	O=C(O)Cn1cnnn1	O=C([O-])Cn1cnnn1	mol13581	O=C(O)Cn1cnnn1
-3.65	AttenGpKa training set	2	1	O=C([O-])Cn1c[nH+][nH+][nH+]1	O=C(O)Cn1cn[nH+]n1,O=C(O)Cn1cnn[nH+]1,O=C(O)Cn1c[nH+]nn1	mol13581	O=C(O)Cn1cnnn1