pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6899995803833	QSARToolbox	1	0	c1ccc([C@@H]2COCCN3CCOCCOCC[NH+](CCOCCOCC3)CCO2)cc1,c1ccc([C@@H]2COCC[NH+]3CCOCCOCCN(CCOCCOCC3)CCO2)cc1	c1ccc([C@@H]2COCCN3CCOCCOCCN(CCOCCOCC3)CCO2)cc1	mol34642	c1ccc(C2COCCN3CCOCCOCCN(CCOCCOCC3)CCO2)cc1