pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	OCHEM	0	-1	CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3	CCn1nc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3	mol368	CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
4.36	OCHEM	0	-1	CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3	CCn1nc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3	mol368	CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
5.04	AttenGpKa training set	0	-1	CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3	CCn1nc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3	mol368	CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3