pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.67999982833862	QSARToolbox	1	0	CCC(=O)C(C[C@@H](C)[NH+]1CCCOCC1)(c1ccccc1)c1ccccc1	CCC(=O)C(C[C@@H](C)N1CCCOCC1)(c1ccccc1)c1ccccc1	mol37774	CCC(=O)C(CC(C)N1CCCOCC1)(c1ccccc1)c1ccccc1
7.69999980926514	QSARToolbox	1	0	CCC(=O)C(C[C@@H](C)[NH+]1CCCOCC1)(c1ccccc1)c1ccccc1	CCC(=O)C(C[C@@H](C)N1CCCOCC1)(c1ccccc1)c1ccccc1	mol37774	CCC(=O)C(CC(C)N1CCCOCC1)(c1ccccc1)c1ccccc1