pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.39	AttenGpKa training set	1	0	CC(C)c1nc2cnc(=O)[nH+]c-2n(C)c1C(C)C,CC(C)c1nc2c[nH+]c(=O)nc-2n(C)c1C(C)C,CC(C)c1[nH+]c2cnc(=O)nc-2n(C)c1C(C)C	CC(C)c1nc2cnc(=O)nc-2n(C)c1C(C)C	mol26301	CC(C)c1nc2cnc(=O)nc-2n(C)c1C(C)C