pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.22	IUPAC digitized pKa	1	0	CC1=[NH+]CCS1	CC1=NCCS1	mol4239	CC1=NCCS1
5.29	Datawarrior	1	0	CC1=[NH+]CCS1	CC1=NCCS1	mol4239	CC1=NCCS1
5.36999988555908	QSARToolbox	1	0	CC1=[NH+]CCS1	CC1=NCCS1	mol4239	CC1=NCCS1
5.21999979019165	QSARToolbox	1	0	CC1=[NH+]CCS1	CC1=NCCS1	mol4239	CC1=NCCS1