pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	Novartis	1	0	[NH3+]c1n[nH]c2cc(Br)ccc12,Nc1[nH+][nH]c2cc(Br)ccc12	Nc1n[nH]c2cc(Br)ccc12	mol2968	Nc1n[nH]c2cc(Br)ccc12