[
  {
    "molid": "mol29020",
    "smiles": "CCCCCCCCCCCCP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCP(=O)(O)O",
        "std_free_energy": -1.4594371318817139,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCCCCCCP(=O)([O-])O",
        "std_free_energy": -12.137800216674805,
        "relative_population": 0.9999996100216623
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CCCCCCCCCCCCP(=O)([O-])[O-]",
        "std_free_energy": -10.151172637939453,
        "relative_population": 0.9999997403306552
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.81,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]