[
  {
    "molid": "mol10376",
    "smiles": "COP(=O)(O)c1ccc(N)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[P@@](=O)(O)c1ccc(N)cc1",
        "std_free_energy": -3.545781373977661,
        "relative_population": 0.22560137660110444
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CO[P@@](=O)([O-])c1ccc([NH3+])cc1",
        "std_free_energy": -4.7790985107421875,
        "relative_population": 0.7743986233988955
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[P@@](=O)([O-])c1ccc(N)cc1",
        "std_free_energy": -11.809242248535156,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]