pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.52	IUPAC digitized pKa	1	0	C[NH2+]c1nc(C)c(Br)c(C)n1,CNc1nc(C)c(Br)c(C)[nH+]1	CNc1nc(C)c(Br)c(C)n1	mol1917	CNc1nc(C)c(Br)c(C)n1
3.57	AttenGpKa training set	1	0	C[NH2+]c1nc(C)c(Br)c(C)n1,CNc1nc(C)c(Br)c(C)[nH+]1	CNc1nc(C)c(Br)c(C)n1	mol1917	CNc1nc(C)c(Br)c(C)n1