pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.96	IUPAC digitized pKa	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
9.65	IUPAC digitized pKa	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
9.38	IUPAC digitized pKa	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
8.97	IUPAC digitized pKa	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
10.17	IUPAC digitized pKa	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
9.85	IUPAC digitized pKa	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
10.16	IUPAC digitized pKa	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
10.11	IUPAC digitized pKa	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
10.0	Datawarrior	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
9.905001	OCHEM	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO
9.905	AttenGpKa training set	1	0	[NH3+]CCCO	NCCCO	mol878	NCCCO