pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.48	IUPAC digitized pKa	1	0	C[NH2+]c1nc(N)cnc1C(N)=O,CNc1[nH+]c(N)cnc1C(N)=O,CNc1nc(N)c[nH+]c1C(N)=O,CNc1nc([NH3+])cnc1C(N)=O	CNc1nc(N)cnc1C(N)=O	mol6771	CNc1nc(N)cnc1C(N)=O
2.53	AttenGpKa training set	1	0	C[NH2+]c1nc(N)cnc1C(N)=O,CNc1[nH+]c(N)cnc1C(N)=O,CNc1nc(N)c[nH+]c1C(N)=O,CNc1nc([NH3+])cnc1C(N)=O	CNc1nc(N)cnc1C(N)=O	mol6771	CNc1nc(N)cnc1C(N)=O