[
  {
    "molid": "mol14084",
    "smiles": "CN(C)CCNC(=O)/C=N/O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCNC(=O)/C=N/O",
        "std_free_energy": -4.350948333740234,
        "relative_population": 0.6976528729660737
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)CCNC(=O)/C=N/[O-]",
        "std_free_energy": -3.5148024559020996,
        "relative_population": 0.30234712703392624
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)CCNC(=O)/C=N/O",
        "std_free_energy": -8.596419334411621,
        "relative_population": 0.9823717371098515
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)CCNC(=O)/C=N/[O-]",
        "std_free_energy": 1.6804591417312622,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.43,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]