pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	IUPAC digitized pKa	1	0	CNc1nc(N(C)C)cc[nH+]1,CNc1nccc(N(C)C)[nH+]1,C[NH2+]c1nccc(N(C)C)n1,CNc1nccc([NH+](C)C)n1	CNc1nccc(N(C)C)n1	mol4184	CNc1nccc(N(C)C)n1
8.11	AttenGpKa training set	1	0	CNc1nc(N(C)C)cc[nH+]1,CNc1nccc(N(C)C)[nH+]1,C[NH2+]c1nccc(N(C)C)n1,CNc1nccc([NH+](C)C)n1	CNc1nccc(N(C)C)n1	mol4184	CNc1nccc(N(C)C)n1