pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.08	AttenGpKa training set	0	-1	O=C([O-])C(O)(c1c[nH]cn1)c1c[nH]c[nH+]1	O=C([O-])C(O)(c1c[nH]cn1)c1c[nH]cn1	mol25519	O=C(O)C(O)(c1c[nH]cn1)c1c[nH]cn1
3.92	AttenGpKa training set	1	0	O=C([O-])C(O)(c1c[nH]c[nH+]1)c1c[nH]c[nH+]1	O=C([O-])C(O)(c1c[nH]cn1)c1c[nH]c[nH+]1	mol25519	O=C(O)C(O)(c1c[nH]cn1)c1c[nH]cn1
2.11	AttenGpKa training set	2	1	O=C(O)C(O)(c1c[nH]c[nH+]1)c1c[nH]c[nH+]1,O=C(O)C([OH2+])(c1c[nH]cn1)c1c[nH]c[nH+]1	O=C([O-])C(O)(c1c[nH]c[nH+]1)c1c[nH]c[nH+]1	mol25519	O=C(O)C(O)(c1c[nH]cn1)c1c[nH]cn1