pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	AttenGpKa training set	0	-1	C[C@H](Br)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	C[C@H](Br)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	mol29393	CC(Br)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
10.3	AttenGpKa training set	-1	-2	C[C@H](Br)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	C[C@H](Br)C(=O)[N-][C@@H](Cc1ccc(O)cc1)C(=O)[O-],C[C@H](Br)C(=O)N[C@@H](Cc1ccc([O-])cc1)C(=O)[O-]	mol29393	CC(Br)C(=O)NC(Cc1ccc(O)cc1)C(=O)O