[
  {
    "molid": "mol28902",
    "smiles": "CC(C)(C)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)CP(=O)(O)O",
        "std_free_energy": -1.4527676105499268,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)CP(=O)([O-])O",
        "std_free_energy": -12.5172758102417,
        "relative_population": 0.9999999784828517
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(C)(C)CP(=O)([O-])[O-]",
        "std_free_energy": -11.132869720458984,
        "relative_population": 0.9999999367830942
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.83999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.65,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.64999961853027,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]