pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.19	IUPAC digitized pKa	1	0	NCCC[NH2+]CCO,[NH3+]CCCNCCO	NCCCNCCO	mol5871	NCCCNCCO
10.28	Datawarrior	1	0	NCCC[NH2+]CCO,[NH3+]CCCNCCO	NCCCNCCO	mol5871	NCCCNCCO
10.3000001907349	QSARToolbox	1	0	NCCC[NH2+]CCO,[NH3+]CCCNCCO	NCCCNCCO	mol5871	NCCCNCCO
7.949	IUPAC digitized pKa	2	1	[NH3+]CCC[NH2+]CCO	NCCC[NH2+]CCO,[NH3+]CCCNCCO	mol5871	NCCCNCCO
8.19	Datawarrior	2	1	[NH3+]CCC[NH2+]CCO	NCCC[NH2+]CCO,[NH3+]CCCNCCO	mol5871	NCCCNCCO
8.0	QSARToolbox	2	1	[NH3+]CCC[NH2+]CCO	NCCC[NH2+]CCO,[NH3+]CCCNCCO	mol5871	NCCCNCCO