pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	IUPAC digitized pKa	1	0	CC[C@H](O)C[NH+](C)CCO	CC[C@H](O)CN(C)CCO	mol5912	CCC(O)CN(C)CCO
8.2	IUPAC digitized pKa	1	0	CC[C@H](O)C[NH+](C)CCO	CC[C@H](O)CN(C)CCO	mol5912	CCC(O)CN(C)CCO
8.3	IUPAC digitized pKa	1	0	CC[C@H](O)C[NH+](C)CCO	CC[C@H](O)CN(C)CCO	mol5912	CCC(O)CN(C)CCO
8.1	IUPAC digitized pKa	1	0	CC[C@H](O)C[NH+](C)CCO	CC[C@H](O)CN(C)CCO	mol5912	CCC(O)CN(C)CCO
7.9	IUPAC digitized pKa	1	0	CC[C@H](O)C[NH+](C)CCO	CC[C@H](O)CN(C)CCO	mol5912	CCC(O)CN(C)CCO
8.6999998	OCHEM	1	0	CC[C@H](O)C[NH+](C)CCO	CC[C@H](O)CN(C)CCO	mol5912	CCC(O)CN(C)CCO
8.69999980926514	QSARToolbox	1	0	CC[C@H](O)C[NH+](C)CCO	CC[C@H](O)CN(C)CCO	mol5912	CCC(O)CN(C)CCO