pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.85	IUPAC digitized pKa	0	-1	Cc1c[nH+]c(C(=O)[O-])cn1,Cc1cnc(C(=O)O)cn1	Cc1cnc(C(=O)[O-])cn1	mol9671	Cc1cnc(C(=O)O)cn1
3.13	AttenGpKa training set	0	-1	Cc1c[nH+]c(C(=O)[O-])cn1,Cc1cnc(C(=O)O)cn1	Cc1cnc(C(=O)[O-])cn1	mol9671	Cc1cnc(C(=O)O)cn1
2.06	AttenGpKa training set	0	-1	Cc1c[nH+]c(C(=O)[O-])cn1,Cc1cnc(C(=O)O)cn1	Cc1cnc(C(=O)[O-])cn1	mol9671	Cc1cnc(C(=O)O)cn1