pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.35	Datawarrior	1	0	Cc1ccc([C@H]2[NH2+]CCS2)cc1	Cc1ccc([C@H]2NCCS2)cc1	mol12803	Cc1ccc(C2NCCS2)cc1
5.3499999	OCHEM	1	0	Cc1ccc([C@H]2[NH2+]CCS2)cc1	Cc1ccc([C@H]2NCCS2)cc1	mol12803	Cc1ccc(C2NCCS2)cc1
5.34999990463257	QSARToolbox	1	0	Cc1ccc([C@H]2[NH2+]CCS2)cc1	Cc1ccc([C@H]2NCCS2)cc1	mol12803	Cc1ccc(C2NCCS2)cc1