pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	AttenGpKa training set	0	-1	CCO[P@@](=O)([O-])N/C(N)=[NH+]/C	CCO[P@@](=O)([O-])N/C(N)=N/C	mol28045	CCOP(=O)(O)N/C(N)=N/C
-0.31	AttenGpKa training set	1	0	CCO[P@@](=O)(O)N/C(N)=[NH+]/C	CCO[P@@](=O)([O-])N/C(N)=[NH+]/C	mol28045	CCOP(=O)(O)N/C(N)=N/C