pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.53	AttenGpKa training set	1	0	O=C(O)[C@H]1CCCN1C(=O)c1cc(Cl)cc[nH+]1,O=C(O)[C@H]1CCCN1C(=[OH+])c1cc(Cl)ccn1,O=C(c1cc(Cl)ccn1)N1CCC[C@@H]1C(O)=[OH+]	O=C(O)[C@H]1CCCN1C(=O)c1cc(Cl)ccn1	mol29465	O=C(O)C1CCCN1C(=O)c1cc(Cl)ccn1