pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.79	AttenGpKa training set	2	1	CN1NC=C(C=O)[NH+]1[NH3+],C[NH+]1[NH2+]C=C(C=O)N1N,C[NH+]1NC=C(C=O)[NH+]1N	CN1NC=C(C=O)[NH+]1N,CN1[NH2+]C=C(C=O)N1N,CN1NC=C(C=O)N1[NH3+],C[NH+]1NC=C(C=O)N1N	mol25320	CN1NC=C(C=O)N1N