pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	OCHEM	0	-1	CS(=O)(=O)c1nc2c(O)c3cc(F)ccc3nc2s1	CS(=O)(=O)c1nc2c([O-])c3cc(F)ccc3nc2s1	mol17954	CS(=O)(=O)c1nc2c(O)c3cc(F)ccc3nc2s1
6.5	AttenGpKa training set	0	-1	CS(=O)(=O)c1nc2c(O)c3cc(F)ccc3nc2s1	CS(=O)(=O)c1nc2c([O-])c3cc(F)ccc3nc2s1	mol17954	CS(=O)(=O)c1nc2c(O)c3cc(F)ccc3nc2s1
0.5	AttenGpKa training set	1	0	CS(=O)(=O)c1nc2c(O)c3cc(F)ccc3[nH+]c2s1,CS(=O)(=O)c1[nH+]c2c(O)c3cc(F)ccc3nc2s1	CS(=O)(=O)c1nc2c(O)c3cc(F)ccc3nc2s1	mol17954	CS(=O)(=O)c1nc2c(O)c3cc(F)ccc3nc2s1