pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.43	Datawarrior	1	0	CC(C)CCSC(=[NH2+])c1ccccc1	CC(C)CCSC(=N)c1ccccc1	mol13252	CC(C)CCSC(=N)c1ccccc1
8.4300003	OCHEM	1	0	CC(C)CCSC(=[NH2+])c1ccccc1	CC(C)CCSC(=N)c1ccccc1	mol13252	CC(C)CCSC(=N)c1ccccc1
8.43000030517578	QSARToolbox	1	0	CC(C)CCSC(=[NH2+])c1ccccc1	CC(C)CCSC(=N)c1ccccc1	mol13252	CC(C)CCSC(=N)c1ccccc1