[
  {
    "molid": "mol37153",
    "smiles": "O=P(O)(O)CCNCCNCCP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P([O-])(O)CC[NH2+]CCNCCP(=O)(O)O",
        "std_free_energy": -8.740997314453125,
        "relative_population": 0.2335205945016903
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=P([O-])(O)CC[NH2+]CC[NH2+]CCP(=O)([O-])O",
        "std_free_energy": -9.335077285766602,
        "relative_population": 0.4229907214434449
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=P([O-])([O-])CC[NH2+]CC[NH2+]CCP(=O)(O)O",
        "std_free_energy": -8.278995513916016,
        "relative_population": 0.14712292647205413
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=P([O-])(O)CCNCC[NH2+]CCP(=O)(O)O",
        "std_free_energy": -8.567684173583984,
        "relative_population": 0.19636145745046574
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])([O-])CC[NH2+]CCNCCP(=O)(O)O",
        "std_free_energy": -10.099206924438477,
        "relative_population": 0.05569832145677333
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=P([O-])([O-])CCNCC[NH2+]CCP(=O)(O)O",
        "std_free_energy": -11.296414375305176,
        "relative_population": 0.18440924803893516
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=P([O-])(O)CCNCC[NH2+]CCP(=O)([O-])O",
        "std_free_energy": -11.884865760803223,
        "relative_population": 0.33215736494546627
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=P([O-])([O-])CC[NH2+]CC[NH2+]CCP(=O)([O-])O",
        "std_free_energy": -12.137001037597656,
        "relative_population": 0.4274101642601547
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.57999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]