pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.21	Datawarrior	1	0	CCCCSC(=[NH2+])c1ccccc1	CCCCSC(=N)c1ccccc1	mol13908	CCCCSC(=N)c1ccccc1
8.21000003814697	QSARToolbox	1	0	CCCCSC(=[NH2+])c1ccccc1	CCCCSC(=N)c1ccccc1	mol13908	CCCCSC(=N)c1ccccc1