pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	IUPAC digitized pKa	0	-1	Sc1ncccn1	[S-]c1ncccn1	mol4201	Sc1ncccn1
7.2	Datawarrior	0	-1	Sc1ncccn1	[S-]c1ncccn1	mol4201	Sc1ncccn1
7.1999998	OCHEM	0	-1	Sc1ncccn1	[S-]c1ncccn1	mol4201	Sc1ncccn1
6.9	OCHEM	0	-1	Sc1ncccn1	[S-]c1ncccn1	mol4201	Sc1ncccn1
7.14	AttenGpKa training set	0	-1	Sc1ncccn1	[S-]c1ncccn1	mol4201	Sc1ncccn1
1.3	Datawarrior	1	0	Sc1nccc[nH+]1	Sc1ncccn1	mol4201	Sc1ncccn1
1.35	AttenGpKa training set	1	0	Sc1nccc[nH+]1	Sc1ncccn1	mol4201	Sc1ncccn1