pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.47	IUPAC digitized pKa	0	-1	Sc1ncnc2ccccc12	[S-]c1ncnc2ccccc12	mol4632	Sc1ncnc2ccccc12
8.47000026702881	QSARToolbox	0	-1	Sc1ncnc2ccccc12	[S-]c1ncnc2ccccc12	mol4632	Sc1ncnc2ccccc12
1.50999999046326	QSARToolbox	1	0	Sc1[nH+]cnc2ccccc12,Sc1nc[nH+]c2ccccc12	Sc1ncnc2ccccc12	mol4632	Sc1ncnc2ccccc12
1.51	AttenGpKa training set	1	0	Sc1[nH+]cnc2ccccc12,Sc1nc[nH+]c2ccccc12	Sc1ncnc2ccccc12	mol4632	Sc1ncnc2ccccc12