[
  {
    "molid": "mol28894",
    "smiles": "CCC(C)P(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H](C)P(=O)(O)O",
        "std_free_energy": -1.6595062017440796,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C@H](C)P(=O)([O-])O",
        "std_free_energy": -12.13038444519043,
        "relative_population": 0.9999999924253211
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC[C@H](C)P(=O)([O-])[O-]",
        "std_free_energy": -11.234090805053711,
        "relative_population": 0.9999999571837533
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.74,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.74000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.48,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.47999954223633,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]