pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	OCHEM	0	-1	CS(=O)(=O)c1nc2c(O)c3ccccc3nc2s1	CS(=O)(=O)c1nc2c([O-])c3ccccc3nc2s1	mol17937	CS(=O)(=O)c1nc2c(O)c3ccccc3nc2s1
7.6	AttenGpKa training set	0	-1	CS(=O)(=O)c1nc2c(O)c3ccccc3nc2s1	CS(=O)(=O)c1nc2c([O-])c3ccccc3nc2s1	mol17937	CS(=O)(=O)c1nc2c(O)c3ccccc3nc2s1
0.5	AttenGpKa training set	1	0	CS(=O)(=O)c1nc2c(O)c3ccccc3[nH+]c2s1,CS(=O)(=O)c1[nH+]c2c(O)c3ccccc3nc2s1	CS(=O)(=O)c1nc2c(O)c3ccccc3nc2s1	mol17937	CS(=O)(=O)c1nc2c(O)c3ccccc3nc2s1