[
  {
    "molid": "mol28887",
    "smiles": "O=P(O)(O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)CO",
        "std_free_energy": -2.1638405323028564,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)CO",
        "std_free_energy": -12.211125373840332,
        "relative_population": 0.9999990992453331
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=P([O-])([O-])CO",
        "std_free_energy": -12.86487102508545,
        "relative_population": 0.9999999304320223
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.91,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.9099999666214,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.15,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.15000009536743,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]