[
  {
    "molid": "mol19554",
    "smiles": "O=C1[C@H](NC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1[C@H](NC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1",
        "std_free_energy": -5.95075798034668,
        "relative_population": 0.985133023518707
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[C@H](NC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc([O-])cc2)N1c1ccc(F)cc1",
        "std_free_energy": -0.295856773853302,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]