pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	AttenGpKa training set	0	-1	CSC1=NC(=O)CC(=O)N1	CSC1=NC(=O)CC(=O)[N-]1,CSc1nc(=O)[cH-]c(=O)[nH]1	mol29518	CSC1=NC(=O)CC(=O)N1
13.5	AttenGpKa training set	-1	-2	CSC1=NC(=O)CC(=O)[N-]1,CSc1nc(=O)[cH-]c(=O)[nH]1	CSc1nc(=O)[cH-]c(=O)[n-]1	mol29518	CSC1=NC(=O)CC(=O)N1