pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.55	AttenGpKa training set	0	-1	N#CNC(=O)c1cccc([N+](=O)[O-])c1	N#C[N-]C(=O)c1cccc([N+](=O)[O-])c1	mol27235	N#CNC(=O)c1cccc([N+](=O)[O-])c1