[
 {
  "label": "posaconazole",
  "note": "아졸계 · 시험관 내 항T.cruzi 활성 확립",
  "note_en": "azole, established in vitro activity against T. cruzi",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 36.144,
  "axes": {
   "activity": {
    "points": 3.417,
    "detail": {
     "pAct_q10": 5.675,
     "ramp_term": 0.342,
     "ramp": [
      4.9472,
      7.0778
     ],
     "threshold_term": null
    }
   },
   "binding": {
    "points": 19.083,
    "detail": {
     "pIC50": 7.75,
     "LE": 0.208,
     "potency_term": 0.917,
     "efficiency_cap": 0.694,
     "heavy_halogens": 0,
     "affinity_raw": -1.75,
     "halogen_offset_log": 0.0
    }
   },
   "selectivity": {
    "points": 3.069,
    "detail": {
     "fold": 1.7,
     "selectivity_term": 0.112,
     "target_engagement": 0.917
    }
   },
   "admet": {
    "points": 3.269,
    "detail": {
     "geometric_mean": 0.343,
     "per_endpoint": {
      "solubility-aqsoldb": 0.219,
      "caco2-wang": 0.672,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 0.05,
      "cyp2c9-veith": 0.444,
      "cyp3a4-substrate-carbonmangels": 0.05,
      "ld50-zhu": 0.968,
      "herg": 0.05,
      "dili": 0.093
     }
    }
   },
   "novelty": {
    "points": 5.898,
    "detail": {
     "max_tanimoto": 0.073,
     "novelty": 0.927
    }
   },
   "synthesis": {
    "points": 1.408,
    "detail": {
     "sa_score": 4.45
    }
   }
  }
 },
 {
  "label": "ketoconazole",
  "note": "아졸계 · 시험관 내 항T.cruzi 활성 확립",
  "note_en": "azole, established in vitro activity against T. cruzi",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 34.226,
  "axes": {
   "activity": {
    "points": 4.43,
    "detail": {
     "pAct_q10": 5.891,
     "ramp_term": 0.443,
     "ramp": [
      4.9472,
      7.0778
     ],
     "threshold_term": null
    }
   },
   "binding": {
    "points": 18.812,
    "detail": {
     "pIC50": 7.09,
     "LE": 0.27,
     "potency_term": 0.697,
     "efficiency_cap": 0.9,
     "heavy_halogens": 0,
     "affinity_raw": -1.091,
     "halogen_offset_log": 0.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.6,
     "selectivity_term": 0.0,
     "target_engagement": 0.697
    }
   },
   "admet": {
    "points": 2.744,
    "detail": {
     "geometric_mean": 0.292,
     "per_endpoint": {
      "solubility-aqsoldb": 0.47,
      "caco2-wang": 0.77,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 0.05,
      "cyp2c9-veith": 0.05,
      "cyp3a4-substrate-carbonmangels": 0.05,
      "ld50-zhu": 0.48,
      "herg": 0.05,
      "dili": 0.05
     }
    }
   },
   "novelty": {
    "points": 5.944,
    "detail": {
     "max_tanimoto": 0.052,
     "novelty": 0.948
    }
   },
   "synthesis": {
    "points": 2.296,
    "detail": {
     "sa_score": 3.44
    }
   }
  }
 },
 {
  "label": "itraconazole",
  "note": "아졸계 · 시험관 내 항T.cruzi 활성 확립",
  "note_en": "azole, established in vitro activity against T. cruzi",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 32.869,
  "axes": {
   "activity": {
    "points": 7.914,
    "detail": {
     "pAct_q10": 6.633,
     "ramp_term": 0.791,
     "ramp": [
      4.9472,
      7.0778
     ],
     "threshold_term": null
    }
   },
   "binding": {
    "points": 12.788,
    "detail": {
     "pIC50": 6.97,
     "LE": 0.195,
     "potency_term": 0.656,
     "efficiency_cap": 0.649,
     "heavy_halogens": 0,
     "affinity_raw": -0.969,
     "halogen_offset_log": 0.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.4,
     "selectivity_term": 0.0,
     "target_engagement": 0.656
    }
   },
   "admet": {
    "points": 2.658,
    "detail": {
     "geometric_mean": 0.224,
     "per_endpoint": {
      "solubility-aqsoldb": 0.05,
      "caco2-wang": 0.683,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 0.05,
      "cyp2c9-veith": 0.05,
      "cyp3a4-substrate-carbonmangels": 0.05,
      "ld50-zhu": 0.698,
      "herg": 0.05,
      "dili": 0.05
     }
    }
   },
   "novelty": {
    "points": 7.379,
    "detail": {
     "max_tanimoto": 0.068,
     "novelty": 0.932
    }
   },
   "synthesis": {
    "points": 2.131,
    "detail": {
     "sa_score": 4.12
    }
   }
  }
 },
 {
  "label": "fluconazole",
  "note": "아졸계이나 이 원충에는 약하다",
  "note_en": "an azole, but weak against this organism",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 18.577,
  "axes": {
   "activity": {
    "points": 0.24,
    "detail": {
     "pAct_q10": 4.377,
     "ramp_term": 0.024,
     "ramp": [
      4.9472,
      7.0778
     ],
     "threshold_term": null
    }
   },
   "binding": {
    "points": 9.415,
    "detail": {
     "pIC50": 5.94,
     "LE": 0.37,
     "potency_term": 0.314,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "affinity_raw": 0.058,
     "halogen_offset_log": 0.0
    }
   },
   "selectivity": {
    "points": 1.572,
    "detail": {
     "fold": 2.2,
     "selectivity_term": 0.167,
     "target_engagement": 0.314
    }
   },
   "admet": {
    "points": 2.977,
    "detail": {
     "geometric_mean": 0.632,
     "per_endpoint": {
      "solubility-aqsoldb": 0.81,
      "caco2-wang": 0.784,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 0.973,
      "cyp3a4-substrate-carbonmangels": 0.61,
      "ld50-zhu": 0.294,
      "herg": 1.0,
      "dili": 0.05
     }
    }
   },
   "novelty": {
    "points": 2.924,
    "detail": {
     "max_tanimoto": 0.068,
     "novelty": 0.932
    }
   },
   "synthesis": {
    "points": 1.448,
    "detail": {
     "sa_score": 2.77
    }
   }
  }
 },
 {
  "label": "benznidazole",
  "note": "현행 샤가스 치료제 · 다른 표적에 작용하는 니트로 전구약",
  "note_en": "current Chagas drug - a nitro prodrug acting on a different target",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 2.402,
  "axes": {
   "activity": {
    "points": 0.047,
    "detail": {
     "pAct_q10": 3.721,
     "ramp_term": 0.005,
     "ramp": [
      4.9472,
      7.0778
     ],
     "threshold_term": null
    }
   },
   "binding": {
    "points": 1.299,
    "detail": {
     "pIC50": 4.67,
     "LE": 0.336,
     "potency_term": 0.043,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "affinity_raw": 1.335,
     "halogen_offset_log": 0.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.9,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.427,
    "detail": {
     "geometric_mean": 0.657,
     "per_endpoint": {
      "solubility-aqsoldb": 0.864,
      "caco2-wang": 0.738,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.3,
      "herg": 1.0,
      "dili": 0.05
     }
    }
   },
   "novelty": {
    "points": 0.413,
    "detail": {
     "max_tanimoto": 0.047,
     "novelty": 0.953
    }
   },
   "synthesis": {
    "points": 0.217,
    "detail": {
     "sa_score": 2.09
    }
   }
  }
 },
 {
  "label": "nifurtimox",
  "note": "현행 샤가스 치료제 · 다른 표적에 작용하는 니트로 전구약",
  "note_en": "current Chagas drug - a nitro prodrug acting on a different target",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 2.024,
  "axes": {
   "activity": {
    "points": 0.06,
    "detail": {
     "pAct_q10": 3.821,
     "ramp_term": 0.006,
     "ramp": [
      4.9472,
      7.0778
     ],
     "threshold_term": null
    }
   },
   "binding": {
    "points": 1.173,
    "detail": {
     "pIC50": 4.62,
     "LE": 0.333,
     "potency_term": 0.039,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "affinity_raw": 1.376,
     "halogen_offset_log": 0.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 1.3,
     "selectivity_term": 0.065,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.292,
    "detail": {
     "geometric_mean": 0.497,
     "per_endpoint": {
      "solubility-aqsoldb": 0.877,
      "caco2-wang": 0.759,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 0.504,
      "ld50-zhu": 0.05,
      "herg": 1.0,
      "dili": 0.05
     }
    }
   },
   "novelty": {
    "points": 0.366,
    "detail": {
     "max_tanimoto": 0.065,
     "novelty": 0.935
    }
   },
   "synthesis": {
    "points": 0.133,
    "detail": {
     "sa_score": 3.61
    }
   }
  }
 },
 {
  "label": "caffeine",
  "note": "샤가스병과 무관 (음성 대조)",
  "note_en": "nothing to do with Chagas disease (negative control)",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 0.081,
  "axes": {
   "activity": {
    "points": 0.019,
    "detail": {
     "pAct_q10": 3.352,
     "ramp_term": 0.002,
     "ramp": [
      4.9472,
      7.0778
     ],
     "threshold_term": null
    }
   },
   "binding": {
    "points": 0.021,
    "detail": {
     "pIC50": 3.03,
     "LE": 0.296,
     "potency_term": 0.001,
     "efficiency_cap": 0.988,
     "heavy_halogens": 0,
     "affinity_raw": 2.971,
     "halogen_offset_log": 0.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.8,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.014,
    "detail": {
     "geometric_mean": 0.496,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 1.0,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 0.05,
      "ld50-zhu": 0.096,
      "herg": 0.1,
      "dili": 0.58
     }
    }
   },
   "novelty": {
    "points": 0.018,
    "detail": {
     "max_tanimoto": 0.052,
     "novelty": 0.948
    }
   },
   "synthesis": {
    "points": 0.009,
    "detail": {
     "sa_score": 2.3
    }
   }
  }
 },
 {
  "label": "aspirin",
  "note": "샤가스병과 무관 (음성 대조)",
  "note_en": "nothing to do with Chagas disease (negative control)",
  "admitted": true,
  "relegated": false,
  "relegate_reason": [],
  "tier": 1,
  "total": 0.05,
  "axes": {
   "activity": {
    "points": 0.007,
    "detail": {
     "pAct_q10": 2.969,
     "ramp_term": 0.001,
     "ramp": [
      4.9472,
      7.0778
     ],
     "threshold_term": null
    }
   },
   "binding": {
    "points": 0.023,
    "detail": {
     "pIC50": 3.06,
     "LE": 0.322,
     "potency_term": 0.001,
     "efficiency_cap": 1.0,
     "heavy_halogens": 0,
     "affinity_raw": 2.943,
     "halogen_offset_log": 0.0
    }
   },
   "selectivity": {
    "points": 0.0,
    "detail": {
     "fold": 0.6,
     "selectivity_term": 0.0,
     "target_engagement": 0.0
    }
   },
   "admet": {
    "points": 0.009,
    "detail": {
     "geometric_mean": 0.751,
     "per_endpoint": {
      "solubility-aqsoldb": 1.0,
      "caco2-wang": 0.997,
      "hia-hou": 1.0,
      "bioavailability-ma": 1.0,
      "pgp-broccatelli": 1.0,
      "cyp2c9-veith": 1.0,
      "cyp3a4-substrate-carbonmangels": 1.0,
      "ld50-zhu": 0.117,
      "herg": 1.0,
      "dili": 1.0
     }
    }
   },
   "novelty": {
    "points": 0.007,
    "detail": {
     "max_tanimoto": 0.051,
     "novelty": 0.949
    }
   },
   "synthesis": {
    "points": 0.004,
    "detail": {
     "sa_score": 1.58
    }
   }
  }
 }
]