pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	AttenGpKa training set	0	-1	O=C(O)CNc1cccc2ccccc12,O=C([O-])C[NH2+]c1cccc2ccccc12	O=C([O-])CNc1cccc2ccccc12	mol23435	O=C(O)CNc1cccc2ccccc12