pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.02999997138977	QSARToolbox	0	-1	CC[C@@](NC(=O)NC)(C(=O)O)c1ccccc1	CC[C@@](NC(=O)NC)(C(=O)[O-])c1ccccc1	mol29377	CCC(NC(=O)NC)(C(=O)O)c1ccccc1
3.03	AttenGpKa training set	0	-1	CC[C@@](NC(=O)NC)(C(=O)O)c1ccccc1	CC[C@@](NC(=O)NC)(C(=O)[O-])c1ccccc1	mol29377	CCC(NC(=O)NC)(C(=O)O)c1ccccc1