pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.0500001907349	QSARToolbox	0	-1	O=CC(C=O)[C@@H](c1ccccc1)N1CCCCC1	O=C[C-](C=O)[C@@H](c1ccccc1)N1CCCCC1	mol37086	O=CC(C=O)C(c1ccccc1)N1CCCCC1