pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.65	OCHEM	1	0	CCCOC(C(=O)OC1CC[NH+](C)CC1)(c1ccccc1)c1ccccc1	CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1	mol485	CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1