pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.58	IUPAC digitized pKa	1	0	C[NH+]1CCc2cc3c(cc2[C@H]1O)OCO3	CN1CCc2cc3c(cc2[C@H]1O)OCO3	mol5193	CN1CCc2cc3c(cc2C1O)OCO3
11.3800001144409	QSARToolbox	1	0	C[NH+]1CCc2cc3c(cc2[C@H]1O)OCO3	CN1CCc2cc3c(cc2[C@H]1O)OCO3	mol5193	CN1CCc2cc3c(cc2C1O)OCO3