pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.34	AttenGpKa training set	0	-1	C=COc1ccc(N(C)c2ccccc2C(=O)O)cc1,C=COc1ccc([NH+](C)c2ccccc2C(=O)[O-])cc1	C=COc1ccc(N(C)c2ccccc2C(=O)[O-])cc1	mol23161	C=COc1ccc(N(C)c2ccccc2C(=O)O)cc1