pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	IUPAC digitized pKa	1	0	C[C@@H](O)C[NH+](C)CCO	C[C@@H](O)CN(C)CCO	mol3197	CC(O)CN(C)CCO
8.1	IUPAC digitized pKa	1	0	C[C@@H](O)C[NH+](C)CCO	C[C@@H](O)CN(C)CCO	mol3197	CC(O)CN(C)CCO
8.15	IUPAC digitized pKa	1	0	C[C@@H](O)C[NH+](C)CCO	C[C@@H](O)CN(C)CCO	mol3197	CC(O)CN(C)CCO
7.8	IUPAC digitized pKa	1	0	C[C@@H](O)C[NH+](C)CCO	C[C@@H](O)CN(C)CCO	mol3197	CC(O)CN(C)CCO
7.7	IUPAC digitized pKa	1	0	C[C@@H](O)C[NH+](C)CCO	C[C@@H](O)CN(C)CCO	mol3197	CC(O)CN(C)CCO
8.69	Datawarrior	1	0	C[C@@H](O)C[NH+](C)CCO	C[C@@H](O)CN(C)CCO	mol3197	CC(O)CN(C)CCO
8.6899996	OCHEM	1	0	C[C@@H](O)C[NH+](C)CCO	C[C@@H](O)CN(C)CCO	mol3197	CC(O)CN(C)CCO
8.69999980926514	QSARToolbox	1	0	C[C@@H](O)C[NH+](C)CCO	C[C@@H](O)CN(C)CCO	mol3197	CC(O)CN(C)CCO