pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	IUPAC digitized pKa	0	-1	Sc1cnc2ccccc2n1	[S-]c1cnc2ccccc2n1	mol4674	Sc1cnc2ccccc2n1
7.16	AttenGpKa training set	0	-1	Sc1cnc2ccccc2n1	[S-]c1cnc2ccccc2n1	mol4674	Sc1cnc2ccccc2n1
-1.11	Datawarrior	1	0	Sc1c[nH+]c2ccccc2n1,Sc1cnc2ccccc2[nH+]1	Sc1cnc2ccccc2n1	mol4674	Sc1cnc2ccccc2n1
-1.24	AttenGpKa training set	1	0	Sc1c[nH+]c2ccccc2n1,Sc1cnc2ccccc2[nH+]1	Sc1cnc2ccccc2n1	mol4674	Sc1cnc2ccccc2n1