pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.77	AttenGpKa training set	0	-1	CN1NC=C(C(=O)O)N1N,CN1NC=C(C(=O)[O-])[NH+]1N,CN1NC=C(C(=O)[O-])N1[NH3+]	CN1NC=C(C(=O)[O-])N1N	mol25360	CN1NC=C(C(=O)O)N1N
0.29	AttenGpKa training set	1	0	CN1NC=C(C(=O)O)[NH+]1N,C[NH+]1NC=C(C(=O)O)N1N,CN1[NH2+]C=C(C(=O)O)N1N,CN1NC=C(C(=O)O)N1[NH3+]	CN1NC=C(C(=O)O)N1N,CN1NC=C(C(=O)[O-])[NH+]1N,CN1NC=C(C(=O)[O-])N1[NH3+]	mol25360	CN1NC=C(C(=O)O)N1N