pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.01	IUPAC digitized pKa	0	-1	CCC1(C(C)C)C(=O)NC(=O)NC1=O	CCC1(C(C)C)C(=O)[N-]C(=O)NC1=O	mol11093	CCC1(C(C)C)C(=O)NC(=O)NC1=O
8.14	OCHEM	0	-1	CCC1(C(C)C)C(=O)NC(=O)NC1=O	CCC1(C(C)C)C(=O)[N-]C(=O)NC1=O	mol11093	CCC1(C(C)C)C(=O)NC(=O)NC1=O
8.01000022888184	QSARToolbox	0	-1	CCC1(C(C)C)C(=O)NC(=O)NC1=O	CCC1(C(C)C)C(=O)[N-]C(=O)NC1=O	mol11093	CCC1(C(C)C)C(=O)NC(=O)NC1=O
12.5900001525879	QSARToolbox	2	1	CCC1(C(C)C)C(=O)NC(=[OH+])NC1=[OH+],CCC1(C(C)C)C(=[OH+])NC(=O)NC1=[OH+]	CCC1(C(C)C)C(=O)NC(=O)NC1=[OH+]	mol11093	CCC1(C(C)C)C(=O)NC(=O)NC1=O