pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	Datawarrior	0	-1	CC[C@]1(C)OC(=O)NC1=O	CC[C@]1(C)OC(=O)[N-]C1=O	mol9770	CCC1(C)OC(=O)NC1=O
6.09999990463257	QSARToolbox	0	-1	CC[C@]1(C)OC(=O)NC1=O	CC[C@]1(C)OC(=O)[N-]C1=O	mol9770	CCC1(C)OC(=O)NC1=O
5.90000009536743	QSARToolbox	0	-1	CC[C@]1(C)OC(=O)NC1=O	CC[C@]1(C)OC(=O)[N-]C1=O	mol9770	CCC1(C)OC(=O)NC1=O
6.1	AttenGpKa training set	0	-1	CC[C@]1(C)OC(=O)NC1=O	CC[C@]1(C)OC(=O)[N-]C1=O	mol9770	CCC1(C)OC(=O)NC1=O