pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.21	IUPAC digitized pKa	1	0	CNc1nc(N)[nH+]cc1Br,CNc1[nH+]c(N)ncc1Br,C[NH2+]c1nc(N)ncc1Br,CNc1nc([NH3+])ncc1Br	CNc1nc(N)ncc1Br	mol7007	CNc1nc(N)ncc1Br
6.23	AttenGpKa training set	1	0	CNc1nc(N)[nH+]cc1Br,CNc1[nH+]c(N)ncc1Br,C[NH2+]c1nc(N)ncc1Br,CNc1nc([NH3+])ncc1Br	CNc1nc(N)ncc1Br	mol7007	CNc1nc(N)ncc1Br