pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.5	QSARToolbox	0	-1	CC(=O)/C(=C(\C)O)[C@H](c1ccccc1)N1CCCCC1,CC(=O)/C(=C(\C)[O-])[C@H](c1ccccc1)[NH+]1CCCCC1	[CH2-]/C(O)=C(\C(C)=O)[C@H](c1ccccc1)N1CCCCC1,CC(=O)/C(=C(\C)[O-])[C@H](c1ccccc1)N1CCCCC1	mol34686	CC(=O)/C(=C(\C)O)C(c1ccccc1)N1CCCCC1