pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85999965667725	QSARToolbox	1	0	O=C(CC[NH+]1CCCCC1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O	O=C(CCN1CCCCC1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O	mol38101	O=C(CCN1CCCCC1)CN1C(=O)C2CC=CCC2C1=O