[
  {
    "molid": "mol34343",
    "smiles": "O=C(NCCCCCO)C(=S)NCCCCCO",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C(NCCCCCO)C(=S)NCCCCCO",
        "std_free_energy": -7.418247222900391,
        "relative_population": 0.9999999969179524
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(NCCCCCO)C(=S)[N-]CCCCCO",
        "std_free_energy": 3.4008305072784424,
        "relative_population": 0.7479107448885286
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([N-]CCCCCO)C(=S)NCCCCCO",
        "std_free_energy": 4.557413578033447,
        "relative_population": 0.2352621854701651
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.1099996566772,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]