pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	Baltruschat ChEMBL	1	0	Cn1cc(-c2noc(C3=CCC[NH2+]C3)n2)c2ccccc21	Cn1cc(-c2noc(C3=CCCNC3)n2)c2ccccc21	mol18174	Cn1cc(-c2noc(C3=CCCNC3)n2)c2ccccc21