pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.36	OCHEM	1	0	COc1nc(C)nc(Cl)c1NC1=[NH+]CCN1	COc1nc(C)nc(Cl)c1NC1=NCCN1	mol29642	COc1nc(C)nc(Cl)c1NC1=NCCN1
7.54	AttenGpKa training set	1	0	COc1nc(C)nc(Cl)c1NC1=[NH+]CCN1	COc1nc(C)nc(Cl)c1NC1=NCCN1	mol29642	COc1nc(C)nc(Cl)c1NC1=NCCN1