pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.72	IUPAC digitized pKa	1	0	C[NH2+]c1ncc(Br)c(N)n1,CNc1ncc(Br)c(N)[nH+]1,CNc1nc(N)c(Br)c[nH+]1,CNc1ncc(Br)c([NH3+])n1	CNc1ncc(Br)c(N)n1	mol7008	CNc1ncc(Br)c(N)n1
5.74	AttenGpKa training set	1	0	C[NH2+]c1ncc(Br)c(N)n1,CNc1ncc(Br)c(N)[nH+]1,CNc1nc(N)c(Br)c[nH+]1,CNc1ncc(Br)c([NH3+])n1	CNc1ncc(Br)c(N)n1	mol7008	CNc1ncc(Br)c(N)n1