[
  {
    "molid": "mol19136",
    "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC1CCP(=O)(O)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC[P@@](=O)(O)O1",
        "std_free_energy": -1.8263275623321533,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC[P@@](=O)([O-])O1",
        "std_free_energy": -10.702186584472656,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]