pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.96	IUPAC digitized pKa	1	0	CCCC[NH+](CCCC)CCCOC(=O)c1ccc(N)cc1	CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1	mol3338	CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1
4.90000009536743	QSARToolbox	2	1	CCCC[NH+](CCCC)CCCOC(=O)c1ccc([NH3+])cc1	CCCC[NH+](CCCC)CCCOC(=O)c1ccc(N)cc1	mol3338	CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1