[
  {
    "molid": "mol36672",
    "smiles": "COP(=O)(O)Oc1cccc2cccc(N(C)C)c12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CO[P@](=O)([O-])Oc1cccc2cccc([NH+](C)C)c12",
        "std_free_energy": -9.990435600280762,
        "relative_population": 0.9985027618836191
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[P@](=O)([O-])Oc1cccc2cccc(N(C)C)c12",
        "std_free_energy": -10.341806411743164,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.96000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]