pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	OCHEM	0	-1	Cc1ccc([O-])c([C@@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)c1,Cc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1	Cc1ccc([O-])c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1	mol149	Cc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1