pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.27	AttenGpKa training set	1	0	NC(=S)N/[NH+]=C/c1ccccc1O	NC(=S)N/N=C/c1ccccc1O	mol24818	NC(=S)N/N=C/c1ccccc1O
9.01	AttenGpKa training set	-1	-2	NC(=S)N/N=C/c1ccccc1[O-]	NC(=S)[N-]/N=C/c1ccccc1[O-]	mol24818	NC(=S)N/N=C/c1ccccc1O