pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.34	AttenGpKa training set	0	-1	NC(=O)Nc1nccnc1/C=N/O	NC(=O)Nc1nccnc1/C=N/[O-],NC(=O)[N-]c1nccnc1/C=N/O	mol26245	NC(=O)Nc1nccnc1/C=N/O