pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.46	Datawarrior	0	-1	Sc1ccnc(S)n1	[S-]c1nccc(S)n1,[S-]c1ccnc(S)n1	mol12379	Sc1ccnc(S)n1
6.46000003814697	QSARToolbox	0	-1	Sc1ccnc(S)n1	[S-]c1nccc(S)n1,[S-]c1ccnc(S)n1	mol12379	Sc1ccnc(S)n1
11.19	Datawarrior	-1	-2	[S-]c1nccc(S)n1,[S-]c1ccnc(S)n1	[S-]c1ccnc([S-])n1	mol12379	Sc1ccnc(S)n1
11.1899995803833	QSARToolbox	-1	-2	[S-]c1nccc(S)n1,[S-]c1ccnc(S)n1	[S-]c1ccnc([S-])n1	mol12379	Sc1ccnc(S)n1