pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Baltruschat ChEMBL	1	0	Nc1ccnc([NH+]2CCc3ccccc3C2)c1,[NH3+]c1ccnc(N2CCc3ccccc3C2)c1,Nc1cc[nH+]c(N2CCc3ccccc3C2)c1	Nc1ccnc(N2CCc3ccccc3C2)c1	mol18455	Nc1ccnc(N2CCc3ccccc3C2)c1