[
  {
    "molid": "mol11436",
    "smiles": "O=P(O)(O)CCCCCCCCCCP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)CCCCCCCCCCP(=O)(O)O",
        "std_free_energy": -0.8651247024536133,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])CCCCCCCCCCP(=O)(O)O",
        "std_free_energy": -11.537364959716797,
        "relative_population": 0.29290925517938954
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])(O)CCCCCCCCCCP(=O)([O-])O",
        "std_free_energy": -12.418661117553711,
        "relative_population": 0.7070907448206104
      },
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=P([O-])([O-])CCCCCCCCCCP(=O)([O-])[O-]",
        "std_free_energy": -10.883506774902344,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])CCCCCCCCCCP(=O)([O-])O",
        "std_free_energy": -12.356219291687012,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)CCCCCCCCCCP(=O)(O)O",
        "std_free_energy": -10.057823181152344,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.27,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.93,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.94,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]