pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8000002	OCHEM	1	0	CO[C@@H]1C=CC2=CC[NH+]3CCC(CO)=C(CCO)[C@@]23C1	CO[C@@H]1C=CC2=CCN3CCC(CO)=C(CCO)[C@@]23C1	mol32648	COC1C=CC2=CCN3CCC(CO)=C(CCO)C23C1