pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.01	AttenGpKa training set	1	0	COC(=O)Nc1[nH]c2ccc(C)cc2[nH+]1	COC(=O)Nc1nc2cc(C)ccc2[nH]1	mol29578	COC(=O)Nc1nc2cc(C)ccc2[nH]1