pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.62	IUPAC digitized pKa	1	0	C[NH+](C)c1nccc(N)n1,CN(C)c1nccc(N)[nH+]1,CN(C)c1nccc([NH3+])n1,CN(C)c1nc(N)cc[nH+]1	CN(C)c1nccc(N)n1	mol7041	CN(C)c1nccc(N)n1
7.64	AttenGpKa training set	1	0	C[NH+](C)c1nccc(N)n1,CN(C)c1nccc(N)[nH+]1,CN(C)c1nccc([NH3+])n1,CN(C)c1nc(N)cc[nH+]1	CN(C)c1nccc(N)n1	mol7041	CN(C)c1nccc(N)n1