[
  {
    "molid": "mol29061",
    "smiles": "CCCCCCC(CCC(CC)CCCC)OP(=O)(O)C(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCC[C@@H](CC[C@H](CC)CCCC)O[P@](=O)(O)C(C)C",
        "std_free_energy": -2.885707378387451,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCC[C@@H](CC[C@H](CC)CCCC)O[P@](=O)([O-])C(C)C",
        "std_free_energy": -10.20673942565918,
        "relative_population": 0.9999999549644639
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]