[
  {
    "molid": "mol14884",
    "smiles": "CN(C)CCCCCCCCCNC(=O)/C=N/O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCCCCCCCCNC(=O)/C=N/O",
        "std_free_energy": -2.3534207344055176,
        "relative_population": 0.1794700537029803
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)CCCCCCCCCNC(=O)/C=N/[O-]",
        "std_free_energy": -3.8733627796173096,
        "relative_population": 0.8205299462970197
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)CCCCCCCCCNC(=O)/C=N/O",
        "std_free_energy": -9.802340507507324,
        "relative_population": 0.977266251672908
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)CCCCCCCCCNC(=O)/C=N/[O-]",
        "std_free_energy": 5.517480850219727,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.99,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]