pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.96	IUPAC digitized pKa	1	0	CN(C)c1nc(N)[nH+]cc1Br,CN(C)c1nc([NH3+])ncc1Br,C[NH+](C)c1nc(N)ncc1Br,CN(C)c1[nH+]c(N)ncc1Br	CN(C)c1nc(N)ncc1Br	mol7001	CN(C)c1nc(N)ncc1Br
5.98	AttenGpKa training set	1	0	CN(C)c1nc(N)[nH+]cc1Br,CN(C)c1nc([NH3+])ncc1Br,C[NH+](C)c1nc(N)ncc1Br,CN(C)c1[nH+]c(N)ncc1Br	CN(C)c1nc(N)ncc1Br	mol7001	CN(C)c1nc(N)ncc1Br