[
  {
    "molid": "mol28891",
    "smiles": "CCCCP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCP(=O)(O)O",
        "std_free_energy": -1.5028772354125977,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCP(=O)([O-])O",
        "std_free_energy": -12.44870662689209,
        "relative_population": 0.9999999159318236
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CCCCP(=O)([O-])[O-]",
        "std_free_energy": -11.622262001037598,
        "relative_population": 0.9999999517540713
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.59,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.58999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.19,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.1899995803833,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]