pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.89	IUPAC digitized pKa	0	-1	CCCC[C@@H](CC)CC1(CC)C(=O)NC(=O)NC1=O	CCCC[C@@H](CC)CC1(CC)C(=O)[N-]C(=O)NC1=O	mol11990	CCCCC(CC)CC1(CC)C(=O)NC(=O)NC1=O
7.8899998664856	QSARToolbox	0	-1	CCCC[C@@H](CC)CC1(CC)C(=O)NC(=O)NC1=O	CCCC[C@@H](CC)CC1(CC)C(=O)[N-]C(=O)NC1=O	mol11990	CCCCC(CC)CC1(CC)C(=O)NC(=O)NC1=O