pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.45	Datawarrior	0	-1	CCn1nnc(CC(=O)O)n1	CCn1nnc(CC(=O)[O-])n1	mol14136	CCn1nnc(CC(=O)O)n1
3.45000004768372	QSARToolbox	0	-1	CCn1nnc(CC(=O)O)n1	CCn1nnc(CC(=O)[O-])n1	mol14136	CCn1nnc(CC(=O)O)n1