pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.0500001907349	QSARToolbox	-2	-3	COC(=O)CN(CCN(CC(=O)[O-])Cc1ccccc1O)Cc1ccccc1[O-],COC(=O)CN(CCN(CC(=O)[O-])Cc1ccccc1[O-])Cc1ccccc1O	COC(=O)CN(CCN(CC(=O)[O-])Cc1ccccc1[O-])Cc1ccccc1[O-]	mol37914	COC(=O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O