pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.53	IUPAC digitized pKa	1	0	CNc1nc(N)cc[nH+]1,CNc1nccc(N)[nH+]1,C[NH2+]c1nccc(N)n1,CNc1nccc([NH3+])n1	CNc1nccc(N)n1	mol4098	CNc1nccc(N)n1
7.54	AttenGpKa training set	1	0	CNc1nc(N)cc[nH+]1,CNc1nccc(N)[nH+]1,C[NH2+]c1nccc(N)n1,CNc1nccc([NH3+])n1	CNc1nccc(N)n1	mol4098	CNc1nccc(N)n1