pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	Datawarrior	1	0	Oc1ccc([C@@H]2[NH2+]CCS2)cc1	Oc1ccc([C@@H]2NCCS2)cc1	mol12836	Oc1ccc(C2NCCS2)cc1