araag2/HINT huggingface dataset:
Clinical trial NCT02325401 (phase 1, status: completed)
Conditions: head and neck cancer
ICD codes: C76.0, C47.0, C49.0, C77.0, D17.0, D21.0, D36.11
Drugs: metformin, cisplatin
SMILES: CSCC[C@H](N)C(O)=O, [H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@](CC)([C@@]13[H])[C@@]([H])(OC(C)=O)[C@]2(O)C(=O)OC)[C@]1(C[C@@]2([H])CN(CC(CC)=C2)CC2=C1NC1=CC=CC=C21)C(=O)OC
Eligibility criteria:

        Inclusion Criteria:

          -  Locally advanced squamous cell cancer of the head and neck, stage III or IV disease
             (T1-2, N2a-3 or T3-4).

          -  Measurable disease

          -  No prior chemotherapy or radiation for head and neck squamous cell cancer

          -  Life expectancy of greater than 3 months.

          -  Adequate labs

        Exclusion Criteria:

          -  Known metastatic disease.

          -  Nasopharyngeal carcinoma

          -  History of allergic reactions attributed to metformin or other agents used in study.

          -  Known diagnosis of diabetes requiring insulin for control.

          -  Administration of metformin within last 4 weeks.
Clinical trial NCT02332798 (phase 1, status: completed)
Conditions: schizophrenia
ICD codes: F20.0, F20.1, F20.2, F20.3, F20.5, F20.89, F20.9
Drugs: pf-04958242, placebo
SMILES: CC(C)S(=O)(=O)N[C@H]1COC[C@H]1OC1=CC=C(C=C1)C1=CC=C(S1)C#N, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Key Inclusion Criteria:

          -  Psychiatrically stable (≥3 months) male and female subjects with schizophrenia of
             non-childbearing potential between the ages of 18 and 55 years, inclusive.

          -  Body Mass Index (BMI) of 17.5 to 30.5 kg/m2; and a total body weight >55 kg (121 lbs).

          -  DSM-IV Diagnosis of Schizophrenia; on stable medication treatment regimen ≥2 months.

        Key Exclusion Criteria:

          -  Suicide attempt within 3 months prior to screening.

          -  History of or risk of seizures; head injury with long term abnormal resulting
             condition, abnormal EEG, clinically significant additional diseases or conditions,
             current medication with a significant risk of seizures, currently receiving
             antipsychotic medications.

        NOTE: Other protocol defined Inclusion/Exclusion criteria may apply
Clinical trial NCT02337543 (phase 1, status: completed)
Conditions: osteoarthritis, knee
ICD codes: M17.9, M17.0, M17.10, M17.11, M17.12, M17.2, M17.30
Drugs: neo6860, placebo
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

        Males and females Any ethnic origin Between 18 and 55 years of age Body mass index (BMI)
        between 18.0 and 32.0 kg/m2 inclusive Body weight between 50 kg and 100 kg inclusive
        Subjects must be in good health, as determined by Medical history, Physical examination,
        Vital sign assessment, 12-lead electrocardiogram (ECG), Clinical laboratory evaluations
        (congenital non-haemolytic hyperbilirubinaemia is acceptable) Subjects will have given
        their written informed consent to participate in the study and to abide by the study
        restrictions

        Exclusion Criteria:

        Male subjects who are not willing, or whose partners are not willing, to use appropriate
        contraception (such as a condom with spermicidal foam/gel/film/cream/suppository), or to
        refrain from donating sperm from the time of the first dose until 3 months after the final
        dosing occasion.

        Subjects who have donated blood in the 3 months prior to screening, plasma in the 7 days
        prior to screening or platelets in the 6 weeks prior to screening Subjects who consume more
        than 28 units of alcohol per week if male or consume more than 21 units of alcohol per week
        if female

        Subjects who have used any medication within 7 days of the first dose administration,
        unless in the opinion of the Investigator the medication will not interfere with the study
        procedures or compromise safety:

        Subjects who have a clinically significant pulse rate, blood pressure or temperature that,
        in the opinion of the investigator, increases the risk of participating in the study, in
        accordance with the CRU reference ranges at screening and prior to first dose Subjects with
        a positive urine drug screen (confirmed by repeat) at screening or first admission, or a
        positive alcohol breath test result (confirmed by repeat) at screening or first admission
        Subjects who have an abnormality in the 12-lead ECG that, in the opinion of the
        investigator, increases the risk of participating in the study, in accordance with the CRU
        reference ranges at screening Subjects with, or with a history of, any clinically
        significant neurological, gastrointestinal, renal, hepatic, cardiovascular, psychiatric,
        respiratory, metabolic, endocrine, haematological or other major disorders as determined by
        the Investigator ALT or AST >1.5 times ULN at screening and/or prior to first dose,
        confirmed by repeat testing Subjects considered non-acceptable responders to the
        intradermal capsaicin test at screening, defined as maximum VAS score of <3 or 10 Subjects
        who, in the opinion of the Investigator, should not participate in the study
Clinical trial NCT02349009 (phase 1/phase 2, status: completed)
Conditions: systemic scleroderma
ICD codes: L94.1, L94.0
Drugs: c-82 topical gel, 1%, c-82 topical gel, placebo
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  meet the American College of Rheumatology criteria for systemic sclerosis with diffuse
             cutaneous involvement (clinical skin involvement proximal to forearms and or knees,
             not including the face).

          -  Disease duration of <36 months since the onset of the first SSc manifestation other
             than Raynaud's phenomenon, or patients with progressive disease based on new or
             worsening skin disease based on physician assessment.

          -  local skin score over the bilateral forearm of ≥ 2.

          -  a MRSS of ≥ 12.

          -  on stable dose of any immunosuppressive other than cyclophosphamide or high dose
             steroids (excluded treatments) for at least one month and through the course of study
             treatment.

          -  Subjects of child-producing potential must agree to use effective contraception while
             and for at least 3 months after the last treatment.

        Exclusion Criteria:

          -  Receiving treatment as part of an interventional clinical trial within 4 weeks of
             screening or 5 half-lives of the investigational drug (whichever is longer).

          -  Ongoing use of high dose steroids (> 10mg/day prednisone or equivalent) or unstable
             steroid dose in the past 4 weeks.

          -  Use of topical creams or gels on the forearm area within the past month and through
             the course of study treatment.

          -  UV light therapy for 4 weeks before or during the study period.

          -  Treatment with cyclophosphamide within the past month and through the course of study
             treatment.

          -  Known active bacterial, viral fungal mycobacterial, or other infection

          -  history of malignancy within the past 2 years.

          -  Moderate to severe hepatic impairment, .

          -  Scleroderma renal crisis within 4 months or creatinine greater than 2.0.

          -  Pregnancy.

          -  Nursing mothers are to be excluded.

          -  Gastrointestinal involvement requiring total parenteral nutrition or hospitalization
             within the past 3 months for pseudo-obstruction

          -  Moderately severe pulmonary disease with FVC < 40%, or DLCO < 30% predicted or
             evidence of progressive lung disease as manifest by a decrease in FVC or 10% or more
             over the previous year.

          -  Moderately severe cardiac disease with clinically significant heart failure, or
             unstable angina.

          -  AST or ALT > 2.5 x Upper Limit of Normal.

          -  Total bilirubin > 1.5 x upper limit of normal (ULN). Patients with Gilbert's Disease
             may be included if their total bilirubin is ≤ 3.0 mg/dL.

          -  significant medical or psychosocial problems that warrant exclusion.
Clinical trial NCT02354690 (phase 1/phase 2, status: completed)
Conditions: metastatic melanoma
ICD codes: C43.0, C43.31, D03.9, C43.51, C43.9, D03.0, C43.4
Drugs: vemurafenib, lymphodepleting chemotherapy, til infusion, interleukin-2
SMILES: CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1, NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically confirmed unresectable stage III or stage IV metastatic melanoma.

          -  Metastasis available for surgical resection (about 2 cm3) and residual measureable
             disease after resection.

          -  Pathologically verified BRAF mutation.

          -  ECOG performance status 0-1.

          -  Life expectancy ≥ 3 months.

          -  No significant toxicity (CTC ≤ 1) from prior treatments.

          -  Adequate renal, hepatic and hematologic function.

          -  Women of childbearing potential (WOCBP) and men in a sexual relationship with a WOCBP
             must be using an effective method of contraception during treatment and for at least 6
             months after completion of treatment.

          -  Able to comprehend the information given and willing to sign informed consent.

        Exclusion Criteria:

          -  Other malignancies, unless followed for ≥ 5 years with no sign of disease, except
             squamous cell carcinoma or adequately treated carcinoma in situ colli uteri.

          -  Cerebral metastasis. Patients with previously treated CNS metastasis can participate
             if surgically removed or treated with stereotactic radiotherapy if stable > 28 days
             after treatment measured by MRI. Patients with asymptomatic and untreated CNS
             metastasis can participate based on investigators evaluation.

          -  Patients with ocular melanoma.

          -  Previous treatment with a BRAF inhibitor.

          -  Severe allergies, history of anaphylaxis or known allergies to drugs administered.

          -  Serious medical or psychiatric comorbidity.

          -  QTc ≥ 450 ms.

          -  Clearance < 70 ml/min.

          -  Acute or chronic infection with e.g. HIV, hepatitis, tuberculosis

          -  Active autoimmune disease.

          -  Pregnant og nursing women.

          -  Need for immunosuppressive treatment, e.g. corticosteroids or methotrexate.

          -  Concomitant treatment with other experimental drugs.

          -  Patients with uncontrolled hypercalcemia

          -  More than four weeks must have elapsed since any prior systemic therapy at the time of
             treatment
Clinical trial NCT02356289 (phase 1, status: completed)
Conditions: healthy
ICD codes: Z76.3, Z76.2
Drugs: placebo, myk-461
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Normal body mass index (BMI)

          -  Normal LVEF

          -  Normal electrocardiogram (ECG)

          -  Females must not be breastfeeding and must be permanently sterilized or are
             postmenopausal.

        Exclusion Criteria:

          -  Any structural abnormalities on echocardiography

          -  Positive results of HIV test and/or seropositive for HCV or HBV.
Clinical trial NCT02360657 (phase 1, status: completed)
Conditions: alzheimer's disease
ICD codes: G30.8, G30.9, G30.0, G30.1
Drugs: jnj-54861911, 10 mg, jnj-54861911, 50 mg, placebo
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Participant must have had sufficient education or work experience to exclude mental
             retardation based on Diagnostic and Statistical Manual of Mental Disorders 4th
             edition, Text Revision (DSM-IV-TR) and must be able to read and write and must have
             adequate hearing and visual acuity to complete the required psychometric tests

          -  Participant must have a Clinical Dementia Rating Scale- Japanese version (CDR-J) score
             of '0' and as such rated as normal

          -  Participant must have evidence of amyloid deposition as demonstrated by low
             Cerebrospinal Fluid (CSF) Amyloid (A)-beta 1-42 levels at Screening

          -  Participant must have a body mass index between 18 and 35 kilogram per square meter,
             inclusive, at Screening

          -  Participant must be otherwise healthy for their age group or medically stable with or
             without medication on the basis of physical examination, medical history, vital signs,
             and 12-lead electrocardiogram (ECG) performed at Screening or at Baseline

        Exclusion Criteria:

          -  Participant has evidence of any brain disease other than potential very early signs of
             Alzheimer's disease (AD) or typical age related changes, or any other abnormality that
             could explain a possible cognitive deficit

          -  Participant has been diagnosed with dementia due to AD, due to other diseases, or with
             AD and contribution of other disorders (mixed dementia)

          -  Participant has evidence of familial autosomal dominant AD

          -  Participant has any contra-indications for Magnetic Resonance Imaging (MRI) (for
             example, prostheses, implants, claustrophobia, pacemakers, and others)

          -  Participant has a clinically significant abnormal physical- or neurological
             examination, vital signs or 12-lead ECG (including QTc greater than 450 millisecond
             for males and females, left bundle branch block, atrio-ventricular [AV] block second
             degree or higher, permanent pacemaker or implantable cardioverter defibrillator [ICD])
             at Screening or Baseline, which in the opinion of the investigator is not appropriate
             and reasonable for the population under study
Clinical trial NCT02369523 (early phase 1, status: terminated)
Conditions: pain
ICD codes: N50.82, R07.2, R07.82, R10.13, R10.33, R14.1, R52
Drugs: exparel, ropivacaine cocktail (pic), bupivacaine
SMILES: O=[Zn], [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C, CC1=CC(O)=CC(C)=C1Cl
Reason stopped: 
    adequate enrollment was not reached for this study.
  
Eligibility criteria:

        Inclusion Criteria:

          -  ≥ 40 Years Old

          -  Scheduled for Primary Total Knee Arthroplasty

        Exclusion Criteria:

          -  Opiate Tolerant (≥60mg/day oral morphine/equivalent for ≥1 week)

          -  Neuromuscular deficit affecting the lower limbs

               -  Peripheral neuropathy

               -  Radiculopathy/Sciatica

          -  Known allergy or intolerance to Bupivacaine or Ropivacaine

          -  Hepatic Disease

          -  Renal Disease/Patients needing Dialysis

          -  Planned unicompartmental knee replacement

          -  Less than 90 degree of knee flexion preoperatively.

          -  Patients who lack the capacity to consent or are unwilling to do so

          -  At the discretion of the PI, patients who may have difficulty complying with standard
             of care (SOC) followup may also be excluded
Clinical trial NCT02370680 (phase 1, status: completed)
Conditions: cardiovascular disease
ICD codes: A52.00, A52.09, A50.54, Z01.810, Q87.418, Z13.6, R94.30
Drugs: aspirin, durlaza™
SMILES: CC(=O)OC1=CC=CC=C1C(O)=O, CC(=O)OC1=CC=CC=C1C(O)=O
Eligibility criteria:

        Inclusion Criteria:

          -  Male or non-lactating, non-pregnant female subjects

          -  A history of Type 2 Diabetes and with history of at least one of the following:
             Coronary Artery Disease, Peripheral Vascular Disease, or Ischemic Stroke, along with
             at least 2 CVD risk factors (obese, smoker, ≥ 55 years of age, prior thrombotic event)

        Exclusion Criteria:

          -  Sensitivity to aspirin or any NSAID (nonsteroidal antiinflammatory drug),

          -  Evidence of uncontrolled or unstable cardio- or cerebrovascular disorder,

          -  Presence of uncontrolled or chronic medical illness, GI disorder or surgery leading to
             impaired drug absorption, clinically significant abnormal baseline ECG, history of
             hepatitis, malignancy within the past five years, or HIV, history of alcohol or drug
             abuse.
Clinical trial NCT02373072 (phase 1, status: completed)
Conditions: idiopathic parkinson disease
ICD codes: E20.0, I95.0, L50.1, D61.3, G24.2, G24.4, G60.3
Drugs: pf-06649751, trimethobenzamide hydrochloride, placebo
SMILES: COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  L-DOPA-responsiveness

          -  Hoehn & Yahr Stage II-III inclusive

          -  Experiencing motor fluctuations

          -  Stable daily dose of L-DOPA of at least 300 mg

          -  Females on non-childbearing potential and male subjects

        Exclusion Criteria:

          -  History of troublesome dyskinesias

          -  History of surgical intervention for Parkinson's disease
Clinical trial NCT02374047 (phase 1, status: completed)
Conditions: hypercholesterolemia
ICD codes: E78.01, E78.00, Z83.42
Drugs: cat-2054, placebo, cat-2054-c, atorvastatin
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O, CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
Eligibility criteria:

        Inclusion Criteria:

          -  Provision of written informed consent before any study-specific procedure

          -  Good health as determined by medical history, physical examination, vital sign
             measurements, ECG, and clinical laboratory measurements

          -  Satisfies one of the following:

               1. Females not of childbearing potential: non-pregnant and non-lactating surgically
                  sterile or postmenopausal 2 years or less with a follicle-stimulating hormone
                  assessment greater than or equal to 40 IU/L

               2. Males: surgically sterile, abstinent, or subject or partner is utilizing an
                  acceptable contraceptive method during and 3 months after the last study dose

          -  For Part B only, measured at Screening: Fasting LDL-C ≥100 mg/dL; or (Cohort B6 only)
             fasting LDL-C ≥130 mg/dL

          -  Body mass index (BMI) between 18 and 30 kg/m², inclusive, for Part A and between 18
             and 40 kg/m², inclusive, for Part B, and body weight >50 kg at Screening

        Exclusion Criteria:

          -  Use of prescription drugs or non-prescription drugs including herbals, and dietary
             supplements (including multivitamins and any product containing niacin or omega-3
             fatty acids above the Recommended Daily Allowance) within 2 weeks before dosing.
             Additionally for Part B only, use of any lipid-regulating prescription drug,
             non-prescription drug, herbal, or dietary supplement within 6 weeks before dosing

          -  Clinically significant disease that requires a physician's care and/or would interfere
             with study evaluations

          -  Clinically significant electrocardiogram (ECG) abnormalities or laboratory results as
             assessed by the investigator, such as QTcF >450

          -  Use of any investigational drug or participation in any investigational study within
             30 days prior to screening or 5 half-lives of the study agent, whichever is longer
Clinical trial NCT02377895 (phase 1/phase 2, status: completed)
Conditions: seasonal allergic rhinitis
ICD codes: J30.2
Drugs: nasapaque nasal solution, placebo saline nasal solution
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Key Inclusion Criteria:

          -  Must be 18 years of age and provide written informed consent and sign the HIPAA form

          -  Must have history of allergic rhinitis

          -  Must have positive response to Allergen BioCube

        Key Exclusion Criteria:

          -  Must not have a significant illness such as moderate to severe allergic asthmatic
             reactions

          -  Must not have compromised lung function

          -  Must not use any disallowed medications

          -  Must not have been in an investigational study in the last 30 days
Clinical trial NCT02379195 (phase 1/phase 2, status: completed)
Conditions: metastatic melanoma
ICD codes: C43.0, C43.31, D03.9, C43.51, C43.9, D03.0, C43.4
Drugs: cyclophosphamide, fludarabine, interleukin-2, peginterferon alfa-2b
SMILES: ClCCN(CCCl)P1(=O)NCCCO1, ClCCN(CCCl)P1(=O)NCCCO1, N[C@@H](CCCNC(N)=N)C(O)=O
Eligibility criteria:

        Inclusion Criteria:

        Histologically confirmed unresectable stage III or stage IV metastatic melanoma Metastasis
        available for surgical resection (about 2 cm3) and residual measurable disease after
        resection

        ECOG performance status 0-1

        Life expectancy ≥ 3 months

        No significant toxicity from prior treatments

        Adequate renal, hepatic and hematologic function

        Women of childbearing potential (WOCBP) and men in a sexual relationship with a WOCBP must
        be using an effective method of contraception during treatment and for at least 6 months
        after completion af treatment.

        Able to comprehend the information given and willing to sign informed consent

        -

        Exclusion Criteria:

        Other Malignancies, unless followed for ≥ 5 years with no sign of disease, except squamous
        cell carcinoma or adequately treated carcinoma in situ colli uteri.

        Cerebral metastasis. Patients with previously treated CNS metastases can participate if CNS
        metastases are surgically removed or treated with stereotactic radiosurgery and stable ≥ 28
        days after treatment measured by MRI. Patients with asymptomatic, stable and untreated CNS
        metastasis can in be included according to investigators and sponsors decision.

        Patients with ocular melanoma

        Severe allergies, history of anaphylaxis or known allergies to the administered drugs.

        Serious medical or psychiatric comorbidity

        Creatinine clearance < 70 ml/min

        Acute or chronic infection with e.g. HIV, hepatitis, tuberculosis

        Severe and active autoimmune disease

        Pregnant and nursing women

        Need for immunosuppressive treatment, e.g. corticosteroids or methotrexate

        Concomitant treatment with other experimental drugs

        Patients with uncontrolled hypercalcemia

        Less than four weeks since prior systemic antineoplastic treatment at the time of
        treatment.

        -