pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	AttenGpKa training set	0	-1	CCN(CC)C(=O)c1cccc2cccc(C(=O)O)c12	CCN(CC)C(=O)c1cccc2cccc(C(=O)[O-])c12	mol23169	CCN(CC)C(=O)c1cccc2cccc(C(=O)O)c12
-0.27	AttenGpKa training set	1	0	CCN(CC)C(=O)c1cccc2cccc(C(O)=[OH+])c12,CCN(CC)C(=[OH+])c1cccc2cccc(C(=O)O)c12	CCN(CC)C(=O)c1cccc2cccc(C(=O)O)c12	mol23169	CCN(CC)C(=O)c1cccc2cccc(C(=O)O)c12