pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Datawarrior	1	0	CCCSC(=[NH2+])c1ccccc1	CCCSC(=N)c1ccccc1	mol12641	CCCSC(=N)c1ccccc1
8.1000004	OCHEM	1	0	CCCSC(=[NH2+])c1ccccc1	CCCSC(=N)c1ccccc1	mol12641	CCCSC(=N)c1ccccc1
8.10000038146973	QSARToolbox	1	0	CCCSC(=[NH2+])c1ccccc1	CCCSC(=N)c1ccccc1	mol12641	CCCSC(=N)c1ccccc1