pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Baltruschat ChEMBL	1	0	[NH3+]c1cc(CO)nc(N2CCc3ccccc3C2)c1,Nc1cc(CO)[nH+]c(N2CCc3ccccc3C2)c1,Nc1cc(CO)nc([NH+]2CCc3ccccc3C2)c1	Nc1cc(CO)nc(N2CCc3ccccc3C2)c1	mol18446	Nc1cc(CO)nc(N2CCc3ccccc3C2)c1