pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.92000007629395	QSARToolbox	0	-1	Cc1ccc(NCCS)cc1	Cc1ccc(NCC[S-])cc1	mol14199	Cc1ccc(NCCS)cc1
5.08	Datawarrior	1	0	Cc1ccc([NH2+]CCS)cc1	Cc1ccc(NCCS)cc1	mol14199	Cc1ccc(NCCS)cc1
5.0799999	OCHEM	1	0	Cc1ccc([NH2+]CCS)cc1	Cc1ccc(NCCS)cc1	mol14199	Cc1ccc(NCCS)cc1