pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.29	AttenGpKa training set	-1	-2	Nc1nc2c(ncn2CCOCP(=O)([O-])[O-])c(O)[nH+]1,Nc1nc(O)c2ncn(CCOCP(=O)([O-])O)c2n1,[NH3+]c1nc(O)c2ncn(CCOCP(=O)([O-])[O-])c2n1,Nc1nc(O)c2ncn(CCOCP(=O)([O-])[O-])c2[nH+]1	Nc1nc(O)c2ncn(CCOCP(=O)([O-])[O-])c2n1	mol29770	Nc1nc(O)c2ncn(CCOCP(=O)(O)O)c2n1
10.02	AttenGpKa training set	-2	-3	Nc1nc(O)c2ncn(CCOCP(=O)([O-])[O-])c2n1	Nc1nc([O-])c2ncn(CCOCP(=O)([O-])[O-])c2n1	mol29770	Nc1nc(O)c2ncn(CCOCP(=O)(O)O)c2n1