pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.26	Datawarrior	1	0	Cc1cccc([C@H]2[NH2+]CCS2)c1	Cc1cccc([C@H]2NCCS2)c1	mol12802	Cc1cccc(C2NCCS2)c1
5.2600002	OCHEM	1	0	Cc1cccc([C@H]2[NH2+]CCS2)c1	Cc1cccc([C@H]2NCCS2)c1	mol12802	Cc1cccc(C2NCCS2)c1
5.26000022888184	QSARToolbox	1	0	Cc1cccc([C@H]2[NH2+]CCS2)c1	Cc1cccc([C@H]2NCCS2)c1	mol12802	Cc1cccc(C2NCCS2)c1