pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.74	AttenGpKa training set	-1	-2	NC(=O)N/N=C1\C=C(S(=O)(=O)[O-])c2ccccc2C1=O	NC(=O)[N-]/N=C1\C=C(S(=O)(=O)[O-])c2ccccc2C1=O	mol29789	NC(=O)N/N=C1\C=C(S(=O)(=O)O)c2ccccc2C1=O