pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.04	AttenGpKa training set	0	-1	CC[C@H](C(=O)O)N(C(C)=O)c1ccccc1C	CC[C@H](C(=O)[O-])N(C(C)=O)c1ccccc1C	mol23566	CCC(C(=O)O)N(C(C)=O)c1ccccc1C