pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.48	IUPAC digitized pKa	0	-1	O=c1cc(Sc2cc(=O)nc[nH]2)[nH]cn1	O=c1cc(Sc2cc(=O)nc[nH]2)[n-]cn1	mol10735	O=c1cc(Sc2cc(=O)nc[nH]2)[nH]cn1
7.2	AttenGpKa training set	0	-1	O=c1cc(Sc2cc(=O)nc[nH]2)[nH]cn1	O=c1cc(Sc2cc(=O)nc[nH]2)[n-]cn1	mol10735	O=c1cc(Sc2cc(=O)nc[nH]2)[nH]cn1
7.2	IUPAC digitized pKa	-1	-2	O=c1cc(Sc2cc(=O)nc[nH]2)[n-]cn1	O=c1cc(Sc2cc(=O)nc[n-]2)[n-]cn1	mol10735	O=c1cc(Sc2cc(=O)nc[nH]2)[nH]cn1