pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	Novartis	1	0	Fc1ccc2c(/C=C/c3ccc[nH+]c3)c[nH]c2c1	Fc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1	mol2947	Fc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1
