araag2/HINT huggingface dataset:
Clinical trial NCT00721916 (phase 2, status: completed)
Conditions: colorectal cancer
ICD codes: C05.2, C10.0, C16.0, C16.4, C17.0, C17.1, C17.2
Drugs: sol(the combination therapy of s-1, leucovorin, and oxaliplatin), mfolfox6(the combination therapy of 5-fu, l-lv and oxaliplatin)
SMILES: [H]C(=O)N1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2, [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically proved adenocarcinoma (colorectal cancer).

          -  Age: 20 ≤ at enrollment.

          -  No prior treatment (ex. radiation therapy, chemotherapy, hormonal therapy) to advanced
             disease. Patients who received adjuvant chemotherapy more than 180 days before
             enrollment can be allowed but those who received S-1 or Oxaliplatin containing
             treatment shall be excluded.

          -  At least one measurable lesion by RECIST criteria

        Exclusion Criteria:

          -  Serious drug hypersensitivity.

          -  Prior history of peripheral neuropathy.

          -  Diarrhea .

          -  Simultaneously active double cancer.
Clinical trial NCT02571257 (phase 2, status: completed)
Conditions: hypercholesterolemia
ICD codes: E78.01, E78.00, Z83.42
Drugs: gemcabene, gemcabene, placebo
SMILES: CC(C)(CCCCOCCCCC(C)(C)C(O)=O)C(O)=O, CC(C)(CCCCOCCCCC(C)(C)C(O)=O)C(O)=O, 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

          -  18 to 65 years of age

          -  Baseline LDL-C ≥ 130 mg/dL (3.4 mmol/L)

        Exclusion Criteria:

          -  If female, postmenopausal or surgically menopausal

          -  Triglycerides (TG) >400 mg/dL

          -  Creatine phosphokinase (CPK) >3 × the upper limit of normal (ULN)

          -  Body Mass Index (BMI) >35 kg/m2

          -  Uncontrolled diabetes mellitus (HbA1c >10%)

          -  Renal dysfunction (blood urea nitrogen [BUN] or creatinine >2 × ULN)

          -  Hepatic dysfunction (aspartate aminotransferase [AST] or alanine aminotransferase
             [ALT] >2 × ULN)

          -  Myocardial infarction, severe or unstable angina pectoris, coronary angioplasty,
             coronary artery bypass graft, or any other major cardiovascular event resulting in
             hospitalization in previous month
Clinical trial NCT00615589 (phase 2, status: terminated)
Conditions: multiple myeloma, plasma cell leukemia
ICD codes: C90.01, C90.02, C90.00, C90.11, C90.12, C90.10
Drugs: fludarabine/busulfan x 4 days
SMILES: NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Reason stopped: 
    low accrual
  
Eligibility criteria:

        Inclusion Criteria:

          -  Biologic high risk Multiple Myeloma:

               -  Stage II/III Multiple Myeloma, any of: t(4; 14), t(14; 16),(14:20) by Fish; 17P-
                  by conventional cytogenetics or Fish; ∆13 by conventional cytogenetics;
                  Hypodiploidy by conventional cytogenetics.

                    -  Relapsed or persistent multiple myeloma after ASCT.

                    -  Persistent multiple myeloma, regardless of previous therapies.

                    -  Plasma cell leukemia, regardless of previous therapies.

          -  Age up to 70 years old (less than 71 years old at the date of transplant admission).

          -  Disease status: in CR, nCR, VGPR, PR or stable disease within 1 month of admission

          -  Patients with non-secretory and oligosecretory disease are eligible if they meet
             certain criteria within 2 weeks prior to the transplant.

          -  Specific renal, liver, cardiac, and pulmonary function requirements(all must be met
             within 30 days of transplant admission)

        Exclusion Criteria:

          -  Persistent invasive infections, not controlled by antimicrobials.

          -  HIV-1/HIV-2 or HTLV-1/HTLV-2 seropositivity.

          -  Uncontrolled medical or psychiatric disorder.

          -  No response or progressive disease at the time of transplantation.

          -  Pregnancy
Clinical trial NCT01323205 (phase 2, status: completed)
Conditions: schizophrenia
ICD codes: F20.0, F20.1, F20.2, F20.3, F20.5, F20.89, F20.9
Drugs: jnj-40411813, jnj-40411813, placebo, antipsychotic medication
SMILES: CCCCN1C=CC(N2CCC(CC2)C2=CC=CC=C2)=C(Cl)C1=O, CCCCN1C=CC(N2CCC(CC2)C2=CC=CC=C2)=C(Cl)C1=O, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O, ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl
Eligibility criteria:

        Inclusion Criteria:

          -  Body Mass Index (BMI) between 18 and 35 kg/m2 inclusive

          -  Medically stable on the basis of physical examination, medical history, vital signs,
             12-lead ECG and clinical laboratory tests

          -  In- or outpatients who have been diagnosed with schizophrenia according to Diagnostic
             and Statistical Manual of Mental Disorders, Fourth Edition (DSM-IV) at least 1 year
             prior to screening.

        Exclusion Criteria:

          -  A current DSM-IV axis I diagnosis other than schizophrenia

          -  Any medical condition that could potentially alter the absorption, metabolism, or
             excretion of the study medication, such as Crohn's disease, liver disease, or renal
             disease

          -  Relevant history of any significant and/or unstable cardiovascular, respiratory,
             neurologic (including seizures or significant cerebrovascular disorders), renal,
             hepatic, endocrine, or immunologic diseases

          -  PANSS score <50 or >120

          -  Other significant and/or unstable systemic illnesses
Clinical trial NCT00701883 (phase 2, status: completed)
Conditions: hyperlipidemia
ICD codes: E78.2, E78.49, E78.5
Drugs: placebo, mbx-8025, mbx-8025, atorvastatin, mbx-8025, mbx-8025
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O, CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC1=CC=C(OCC(O)=O)C(C)=C1, CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC1=CC=C(OCC(O)=O)C(C)=C1, 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, CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC1=CC=C(OCC(O)=O)C(C)=C1, CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC1=CC=C(OCC(O)=O)C(C)=C1
Eligibility criteria:

        Inclusion Criteria:

          -  Age: 18-75 years

          -  Female patients must not be pregnant or breast-feeding

          -  Patients must be moderately overweight

          -  All patients must have abnormal cholesterol levels or a history of abnormal
             cholesterol levels as defined by the protocol.

          -  Patients taking medication to lower their cholesterol must be willing, in some cases,
             to discontinue their medications during the study Stable weight (a history of
             increasing or decreasing no more than 6.6 lbs [3 kg]) for at least 2 months prior to
             the study;

        Exclusion Criteria

          -  Cancer or a history of a cancer within 5 years before screening, other than some skin
             cancers

          -  Patients planning elective surgery during the study

          -  Patients with a history of diabetes mellitus at study onset

          -  History of intolerance to, or adverse effect from atorvastatin

          -  History of weight loss due to stomach bypass or eating disorder

          -  All patients may not have had a stroke, TIA, an acute myocardial infarction, angina
             pectoris, coronary intervention procedure (including but not limited to angioplasty,
             stent placement, coronary revascularization) lower extremity bypass procedure,
             systemic or intracoronary fibrinolytic therapy) within 5 months of screening
Clinical trial NCT01332201 (phase 2, status: completed)
Conditions: heart transplantation, lung transplantation, pancreas (including spk) transplantation
ICD codes: M31.11, M31.11
Drugs: advagraf, prograf
SMILES: CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC, CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
Eligibility criteria:

        Inclusion Criteria:

          -  must receive first oral dose of tacrolimus one day (lung, pancreas or Simultaneous
             Pancreas Kidney (SPK) recipients) or three days (heart recipients) after
             transplantation (skin closure)

          -  negative pregnancy test prior to enrolment (females)

          -  agree to practice effective birth control during the study

          -  treated since transplantation with Antithymocyte globulin/ Mycophenolate
             Mofetil/steroids (ATG/MMF/steroids), gastric motility resumed and renal function
             adequate (<230 µmol/l (<2.6 ml/dl)) on Day 1

        Exclusion Criteria:

          -  receiving a multi-organ transplant (with the exception of SPK) or previously received
             an organ transplant (including re-transplantation)

          -  pulmonary vascular resistance ≥4 Wood units despite medication

          -  required an emergency ventricular assist device within one week prior to
             transplantation

          -  significant renal impairment

          -  significant liver disease

          -  malignancies or a history of malignancy within the last 5 years

          -  significant, uncontrolled concomitant infections and/or severe diarrhoea, vomiting,
             active upper gastrointestinal disorder that may affect the absorption of tacrolimus,
             or active peptic ulcer

          -  requires systemic immunosuppressive medication for any other indication than
             transplantation

          -  diagnosis of cystic fibrosis

          -  pregnant or breast-feeding
Clinical trial NCT01587079 (phase 2, status: completed)
Conditions: chronic obstructive pulmonary disease
ICD codes: J44.9, J44.1, J44.0
Drugs: pt003, pt001, pt005, tiotropium inhalation powder
SMILES: C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1, [H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1
Eligibility criteria:

        Key Inclusion Criteria:

          -  Signed written informed consent

          -  40 - 80 years of age

          -  Clinical history of COPD with airflow limitation that is not fully reversible

          -  Females of non-child bearing potential or females of child bearing potential with
             negative pregnancy test and acceptable contraceptive methods

          -  Current/former smokers with at least a 10 pack-year history of cigarette smoking

          -  A measured post-bronchodilator FEV1/FVC ratio of < or = 0.70

          -  A measured post-bronchodilator FEV1 > or = 750ml or 30% predicted and < or = 80% of
             predicted normal values

          -  Able to change COPD treatment as required by protocol

        Key Exclusion Criteria:

          -  Women who are pregnant or lactating

          -  Primary diagnosis of asthma

          -  Alpha-1 antitrypsin deficiency as the cause of COPD

          -  Active pulmonary diseases

          -  Prior lung volume reduction surgery

          -  Abnormal chest X-ray not due to the presence of COPD

          -  Hospitalized due to poorly controlled COPD within 3 months of Screening

          -  Clinically significant medical conditions that preclude participation in the study
             (e.g. clinically significant abnormal ECG, uncontrolled hypertension, glaucoma,
             symptomatic prostatic hypertrophy)

          -  Cancer that has not been in complete remission for at least 5 years

          -  Treatment with investigational study drug or participation in another clinical trial
             or study within the last 30 days or 5 half lives

        Other inclusion/exclusion criteria as defined in the protocol
Clinical trial NCT00635154 (phase 2, status: completed)
Conditions: multiple myeloma and plasma cell neoplasm
ICD codes: C96.20, C96.29, D47.09
Drugs: dexamethasone acetate
SMILES: [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
Eligibility criteria:

        DISEASE CHARACTERISTICS:

          -  New or preexisting diagnosis of multiple myeloma

             - Smoldering or indolent multiple myeloma meeting one of the following criteria:

               -  Bone marrow plasma cells ≥ 10%

               -  Serum monoclonal IgG or IgA protein ≥ 3.0 g/dL OR urine monoclonal light chain ≥
                  1g by 24-hour urine protein electrophoresis

          -  Measurable disease

          -  Does not require immediate chemotherapy, in the opinion of the treating physician

          -  No active myeloma or primary amyloidosis requiring chemotherapy or any agents that may
             interact with anakinra (e.g., etanercept, infliximab, or thalidomide)

        PATIENT CHARACTERISTICS:

          -  Eastern Cooperative Oncology Group (ECOG) performance status 0

          -  Total WBC ≥ 3,500/mm^3

          -  ANC ≥ 1,700/mm^3

          -  Creatinine ≤ 1.5 times upper limit of normal

          -  Able to self-inject medication or have a caregiver who can administer the drug

          -  Not pregnant or nursing

          -  Negative pregnancy test

          -  No acute or chronic infections, open wounds, or any active infection requiring
             intravenous antibiotic therapy within the past 12 weeks

          -  No active malignancy within the past 5 years except basal cell carcinoma of the skin
             or carcinoma in situ of cervix

             - Patients with a previously resected malignancy that does not require further
             treatment are eligible

          -  No New York Heart Association (NYHA) class III or IV congestive heart failure

          -  No rheumatoid arthritis or other diseases requiring immunosuppressive therapy

          -  No asthma, inflammatory bowel disease, or any debilitating physical or psychiatric
             illness that, in the judgment of the investigator, would interfere with the conduct of
             the study

        PRIOR CONCURRENT THERAPY:

        * More than 30 days since prior treatment with dehydroepiandrosterone (DHEA),
        clarithromycin, pamidronate, steroids, or any other agent that may affect M-protein
Clinical trial NCT01230970 (phase 2, status: terminated)
Conditions: breast cancer
ICD codes: C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60
Drugs: bn83495
SMILES: NS(=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1
Reason stopped: 
    the futility analysis of study nct00910091 in patients with endometrial cancer shows that the
    primary endpoint will not be reached.
  
Eligibility criteria:

        Inclusion Criteria:

          -  Female subjects 55 to 80 years with histologically or cytologically documented primary
             intraductal or lobular invasive breast cancer that meets the following criteria:

          -  T2, N0 or N1, M0.

          -  Primary tumour clinically determined to be 2 to 5 cm in the greatest dimension.

          -  Laboratory documentation of positive oestrogen receptor (ER+) status in at least 10%
             of the tumour cells.

          -  Laboratory documentation of HER-2 negative status.

        Postmenopausal defined as

          -  no spontaneous menses for a total of 2 years

          -  amenorrheic for at least 12 months with serum oestrogen level <30 pg/mL, and both
             luteinising hormone (LH)/follicle stimulating hormone (FSH) >20 IU/L,
             chemotherapy-induced amenorrhoea for at least 12 months

          -  bilateral oophorectomy, or radiation castration and amenorrhoeic for at least 3
             months.

        Eastern Cooperative Oncology Group (ECOG) performance status ≤2.

        Exclusion Criteria:

          -  Has locally advanced breast cancer that is considered non-operable without neoadjuvant
             therapy.

          -  Has evidence of metastatic disease

          -  as a diagnosis of inflammatory breast cancer

          -  Has ductal carcinoma in situ
Clinical trial NCT00394147 (phase 2, status: terminated)
Conditions: head and neck cancer
ICD codes: C76.0, C47.0, C49.0, C77.0, D17.0, D21.0, D36.11
Drugs: pemetrexed, gemcitabine
SMILES: [H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H], [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Reason stopped: 
    stopped for lack of efficacy
  
Eligibility criteria:

        Inclusion Criteria:

          -  Diagnosis of squamous cell cancer of the head and neck - unresectable or metastatic.
             Must have measurable disease by RECIST.

          -  Karnofsky performance status greater than or equal to 60%

          -  Up to one prior systemic chemotherapy, immunotherapy allowed in the advanced or
             metastatic setting. This does not include prior chemotherapy, immunotherapy used with
             radiotherapy (ie concurrent with radiation therapy or as and induction regimen pror to
             definitive radiation therapy).

          -  At least 4 weeks from prior radiation or chemotherapy, must have recovered from all
             acute effects of treatment.

          -  Adequate organ and marrow function

          -  Negative pregnancy test. Agree to use birth control during and for 3 months after last
             dose of study drug.

          -  At least 18 years of age.

          -  Sign an informed consent and HIPAA consent.

          -  Must be able to take and absorb enteral medication.

        Exclusion Criteria:

          -  Serious concomitant systemic disorder that would compromise safety or ability to
             complete study.

          -  Prior treatment with gemcitabine or pemetrexed within the previous year, unless used
             concurrently with radiation therapy.

          -  Pregnancy or breastfeeding.

          -  Symptomatic or uncontrolled brain mets. If treated, must be off steroids for at least
             2 weeks.

          -  Inability or unwilling to take folic acid, vitamin B12, or dexamethasone.

          -  Treatment within last 30 days with a drug that has not received regulatory approval
             for any indication.

          -  Inability to interrupt and NSAID or salicylate with a long half-life (piroxicam or
             nabumetone) for a 5 day period.

          -  Presence of clinically relevant third space fluid that cannot be controlled by
             drainage or other procedure prior to study entry.

          -  Active, concurrent, invasive malignancy requiring ongoing treatment.

          -  Corticosteroids impermissible unless for adrenal failure, septic shock or as
             temporizing measure for symptomatic pain, breathing, or rash.
Clinical trial NCT00162812 (phase 2, status: terminated)
Conditions: breast cancer
ICD codes: C79.81, D24.1, D24.2, D24.9, D49.3, C44.501, D48.60
Drugs: epirubicin
SMILES: CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1
Reason stopped: 
    low accrual rate
  
Eligibility criteria:

        Inclusion Criteria:

          1. Histologically-confirmed breast cancer (operable, locally advanced or inflammatory)

          2. Age less than 70 years

          3. Female patient

          4. Tumor size 2 cm at ultrasound examination.

          5. ER-negative tumors defined according to immunohistochemistry (i.e. < 10% of positive
             cells after immunostaining).

          6. Multifocal and multicentric breast tumors are allowed if all foci are ER-negative.

          7. Fixed and frozen samples from the primary tumor, obtained before treatment with
             epirubicin, must be available for evaluation of biological markers (topo II alpha gene
             and protein, HER-2 gene, p-53 gene, oligonucleotides microarrays).

          8. Written informed consent before study registration.

          9. Performance status 0 or 1 (ECOG scale)

         10. Normal CBC, hepatic and renal functions

         11. Normal left ventricular ejection fraction by echocardiography or muga scan

         12. Negative pregnancy test for all women of childbearing potential. Patients of
             childbearing potential must implement adequate non-hormonal measures to avoid
             pregnancy during treatment.

        Exclusion Criteria:

          1. Metastatic breast cancer

          2. Serious medical conditions like:

               1. congestive heart failure or unstable angina pectoris, previous history of
                  myocardial infarction within 1 year from study entry, uncontrolled arrhythmias.

               2. history of significant neurologic or psychiatric disorders

               3. active uncontrolled infection

               4. active peptic ulcer, unstable diabetes mellitus

          3. Concomitant contralateral invasive breast cancer

          4. Concurrent treatment with hormonal replacement therapy

          5. Concurrent treatment with any other anti-cancer therapy

          6. Previous treatment with anthracyclines for breast cancer
Clinical trial NCT01149200 (phase 2, status: completed)
Conditions: irritable bowel syndrome
ICD codes: K58.2, K58.8, K58.0, K58.1, K58.9
Drugs: tc-6499, 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:

          -  Men with IBS-C (ROME III) between 18 and 65 years of age, inclusive.

          -  Women with IBS-C (ROME III) between 55 and 65 years of age, or 18 to 55 years of age
             with documentation of non-childbearing potential status (surgical sterilization or one
             year post last menses with elevated FSH/LV).

          -  All subjects should have a body mass index (BMI) between 18 and 34 kg/m2, inclusive
             and a body weight of not less than 45 kg.
Clinical trial NCT00717769 (phase 2, status: completed)
Conditions: atopic dermatitis
ICD codes: L20.89, L20.9
Drugs: sun13834, 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:

          -  Male or female subjects between 18 and 65 years of age (inclusive).

          -  A diagnosis of AD, meeting the Guidelines for Diagnosis of Atopic Dermatitis criteria

        Exclusion Criteria:

          -  Taking systemic immunosuppressive drugs or biologicals (within 3 months), or systemic
             corticosteroids therapy (within 4 weeks)prior to Screening(note: inhaled, intranasal
             or otic corticosteroids are allowed).

          -  Use of phototherapy or tanning beds within 6 weeks of screening

          -  History of reactive airway disease (asthma) requiring hospitalization in an intensive
             care unit in the last 5 years.

          -  Presence of a clinically significant disorder involving the cardiovascular,
             respiratory, renal, gastrointestinal, immunologic, hematologic, endocrine, or
             neurologic system(s) or psychiatric disease (as determined by the Clinical
             Investigator) that will interfere with interpretation of data from this patient (eg,
             renal impairment with non-atopic pruritis).