pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.9	Datawarrior	1	0	CSc1[nH+]c(C)cc(=O)n1C	CSc1nc(C)cc(=O)n1C	mol4152	CSc1nc(C)cc(=O)n1C
0.89999998	OCHEM	1	0	CSc1[nH+]c(C)cc(=O)n1C	CSc1nc(C)cc(=O)n1C	mol4152	CSc1nc(C)cc(=O)n1C