pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.59	IUPAC digitized pKa	1	0	CCOC(=O)C(CC[NH+](CC)CC)(c1ccccc1)c1ccccc1	CCOC(=O)C(CCN(CC)CC)(c1ccccc1)c1ccccc1	mol3189	CCOC(=O)C(CCN(CC)CC)(c1ccccc1)c1ccccc1
11.5900001525879	QSARToolbox	1	0	CCOC(=O)C(CC[NH+](CC)CC)(c1ccccc1)c1ccccc1	CCOC(=O)C(CCN(CC)CC)(c1ccccc1)c1ccccc1	mol3189	CCOC(=O)C(CCN(CC)CC)(c1ccccc1)c1ccccc1