[
  {
    "molid": "mol15961",
    "smiles": "CCC(=NO)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(=NO)NO",
        "std_free_energy": -5.492159843444824,
        "relative_population": 0.9998004771478641
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      {
        "id": "1_1",
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        "smiles": "CCC(NO)=[NH+]O",
        "std_free_energy": -2.69779372215271,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC(=N[O-])NO",
        "std_free_energy": 4.765987396240234,
        "relative_population": 0.7513268599628672
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCC(=NO)N[O-]",
        "std_free_energy": 5.8716888427734375,
        "relative_population": 0.24867314003713287
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.6999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.1500001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.15000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]