pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	1	0	Nc1cc([NH+]2CCc3ccccc3C2)nc2c1CCC2,[NH3+]c1cc(N2CCc3ccccc3C2)nc2c1CCC2,Nc1cc(N2CCc3ccccc3C2)[nH+]c2c1CCC2	Nc1cc(N2CCc3ccccc3C2)nc2c1CCC2	mol18445	Nc1cc(N2CCc3ccccc3C2)nc2c1CCC2