[
  {
    "molid": "mol9781",
    "smiles": "Cc1n[nH]c(N(C)C)nc1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1n[nH]c(N(C)C)nc1=O",
        "std_free_energy": -6.958977699279785,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1n[nH]c([NH+](C)C)nc1=O",
        "std_free_energy": 0.4173087775707245,
        "relative_population": 0.15464092550821004
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH+][nH]c(N(C)C)nc1=O",
        "std_free_energy": 0.3485478460788727,
        "relative_population": 0.16564828098420853
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1n[nH]c(N(C)C)[nH+]c1=O",
        "std_free_energy": -1.0632528066635132,
        "relative_population": 0.6797107935075813
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]