pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	IUPAC digitized pKa	1	0	CC[C@@H](O)C[NH+](CC)CCO	CC[C@@H](O)CN(CC)CCO	mol5907	CCC(O)CN(CC)CCO
8.6	IUPAC digitized pKa	1	0	CC[C@@H](O)C[NH+](CC)CCO	CC[C@@H](O)CN(CC)CCO	mol5907	CCC(O)CN(CC)CCO
8.2	IUPAC digitized pKa	1	0	CC[C@@H](O)C[NH+](CC)CCO	CC[C@@H](O)CN(CC)CCO	mol5907	CCC(O)CN(CC)CCO
9.1000004	OCHEM	1	0	CC[C@@H](O)C[NH+](CC)CCO	CC[C@@H](O)CN(CC)CCO	mol5907	CCC(O)CN(CC)CCO
9.10000038146973	QSARToolbox	1	0	CC[C@@H](O)C[NH+](CC)CCO	CC[C@@H](O)CN(CC)CCO	mol5907	CCC(O)CN(CC)CCO