pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.31	AttenGpKa training set	1	0	CC(=[OH+])c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,CC(=O)c1ccc(S(=O)(=O)NC(=[OH+])NC2CCCCC2)cc1	CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1	mol28732	CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1