pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.14	AttenGpKa training set	1	0	C/C(=[NH+]\O)C(=O)N[C@H](C(=O)O)c1ccccc1	C/C(=N\O)C(=O)N[C@H](C(=O)O)c1ccccc1	mol22489	C/C(=N\O)C(=O)N[C@H](C(=O)O)c1ccccc1
10.19	AttenGpKa training set	-1	-2	C/C(=N\O)C(=O)N[C@H](C(=O)[O-])c1ccccc1	C/C(=N\[O-])C(=O)N[C@H](C(=O)[O-])c1ccccc1	mol22489	C/C(=N\O)C(=O)N[C@H](C(=O)O)c1ccccc1