pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.17	Datawarrior	1	0	CCCC(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	CCCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1326	CCCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
7.1700001	OCHEM	1	0	CCCC(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	CCCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1326	CCCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
7.17000007629395	QSARToolbox	1	0	CCCC(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1	CCCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1	mol1326	CCCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1