pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	OCHEM	0	-1	CSc1nc2c(O)c3ccccc3nc2s1	CSc1nc2c([O-])c3ccccc3nc2s1	mol17951	CSc1nc2c(O)c3ccccc3nc2s1
9.2	AttenGpKa training set	0	-1	CSc1nc2c(O)c3ccccc3nc2s1	CSc1nc2c([O-])c3ccccc3nc2s1	mol17951	CSc1nc2c(O)c3ccccc3nc2s1
0.9	AttenGpKa training set	1	0	CSc1[nH+]c2c(O)c3ccccc3nc2s1,CSc1nc2c(O)c3ccccc3[nH+]c2s1	CSc1nc2c(O)c3ccccc3nc2s1	mol17951	CSc1nc2c(O)c3ccccc3nc2s1