pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	Datawarrior	0	-1	C(CSCCc1nnn[nH]1)SCCc1nnn[nH]1	C(CSCCc1nnn[nH]1)SCCc1nnn[n-]1	mol14902	C(CSCCc1nnn[nH]1)SCCc1nnn[nH]1
5.64	Datawarrior	-1	-2	C(CSCCc1nnn[nH]1)SCCc1nnn[n-]1	C(CSCCc1nnn[n-]1)SCCc1nnn[n-]1	mol14902	C(CSCCc1nnn[nH]1)SCCc1nnn[nH]1
5.3200002	OCHEM	-1	-2	C(CSCCc1nnn[nH]1)SCCc1nnn[n-]1	C(CSCCc1nnn[n-]1)SCCc1nnn[n-]1	mol14902	C(CSCCc1nnn[nH]1)SCCc1nnn[nH]1
5.6399998664856	QSARToolbox	-1	-2	C(CSCCc1nnn[nH]1)SCCc1nnn[n-]1	C(CSCCc1nnn[n-]1)SCCc1nnn[n-]1	mol14902	C(CSCCc1nnn[nH]1)SCCc1nnn[nH]1