pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.16	AttenGpKa training set	0	-1	COC(=O)/C=C(\O)c1cccnc1,COC(=O)/C=C(\[O-])c1ccc[nH+]c1	COC(=O)/C=C(\[O-])c1cccnc1	mol31195	COC(=O)/C=C(\O)c1cccnc1