pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.505	OCHEM	0	-1	CC1(C)C(=O)NC(=O)NC1=O	CC1(C)C(=O)[N-]C(=O)NC1=O	mol31169	CC1(C)C(=O)NC(=O)NC1=O
8.5	QSARToolbox	0	-1	CC1(C)C(=O)NC(=O)NC1=O	CC1(C)C(=O)[N-]C(=O)NC1=O	mol31169	CC1(C)C(=O)NC(=O)NC1=O
7.14	AttenGpKa training set	0	-1	CC1(C)C(=O)NC(=O)NC1=O	CC1(C)C(=O)[N-]C(=O)NC1=O	mol31169	CC1(C)C(=O)NC(=O)NC1=O
