[
  {
    "molid": "mol24391",
    "smiles": "NCCCCCP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CCCCCP(=O)([O-])O",
        "std_free_energy": -12.02164363861084,
        "relative_population": 0.999998664304861
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CCCCCP(=O)(O)O",
        "std_free_energy": -4.092720985412598,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+]CCCCCP(=O)([O-])[O-]",
        "std_free_energy": -14.00284481048584,
        "relative_population": 0.9998547826703232
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "NCCCCCP(=O)([O-])[O-]",
        "std_free_energy": -3.3347361087799072,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]