pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.735	AttenGpKa training set	0	-1	COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1	COc1cnc([N-]S(=O)(=O)c2ccc(N)cc2)nc1	mol28559	COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1