pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.04	AttenGpKa training set	1	0	CC(=O)ON(C(C)=[OH+])c1ccc2c(n1)[nH]c1ccccc12,CC(=O)ON(C(C)=O)c1ccc2c([nH]c3ccccc32)[nH+]1	CC(=O)ON(C(C)=O)c1ccc2c(n1)[nH]c1ccccc12	mol26729	CC(=O)ON(C(C)=O)c1ccc2c(n1)[nH]c1ccccc12