pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.26	AttenGpKa training set	0	-1	COC(=O)c1ccc(C(=O)O)c(N)c1,COC(=O)c1ccc(C(=O)[O-])c([NH3+])c1	COC(=O)c1ccc(C(=O)[O-])c(N)c1	mol22835	COC(=O)c1ccc(C(=O)O)c(N)c1