pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.08	IUPAC digitized pKa	0	-1	C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O	C=CCC1([C@H](C)CCC)C(=O)[N-]C(=O)NC1=O	mol11739	C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O
7.8	Baltruschat ChEMBL	0	-1	C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O	C=CCC1([C@H](C)CCC)C(=O)[N-]C(=O)NC1=O	mol11739	C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O
7.92	Baltruschat ChEMBL	0	-1	C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O	C=CCC1([C@H](C)CCC)C(=O)[N-]C(=O)NC1=O	mol11739	C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O
8.07999992370606	QSARToolbox	0	-1	C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O	C=CCC1([C@H](C)CCC)C(=O)[N-]C(=O)NC1=O	mol11739	C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O
12.6000003814697	QSARToolbox	2	1	C=CCC1([C@H](C)CCC)C(=O)NC(=[OH+])NC1=[OH+],C=CCC1([C@H](C)CCC)C(=[OH+])NC(=O)NC1=[OH+]	C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=[OH+]	mol11739	C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O