pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.74	AttenGpKa training set	0	-1	COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2	COc1cc2c(c(OC)c1OC)-c1ccc([O-])c(=O)cc1[C@@H](NC(C)=O)CC2	mol31306	COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1C(NC(C)=O)CC2