pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Baltruschat ChEMBL	0	-1	O=C([O-])c1cc(/C=[NH+]/NC(=S)NC2CCCCC2)ccc1O,O=C(O)c1cc(/C=N/NC(=S)NC2CCCCC2)ccc1O	O=C([O-])c1cc(/C=N/NC(=S)NC2CCCCC2)ccc1O	mol18581	O=C(O)c1cc(/C=N/NC(=S)NC2CCCCC2)ccc1O