araag2/HINT huggingface dataset:
Clinical trial NCT01086332 (phase 1, status: terminated)
Conditions: pancreatic neoplasms
ICD codes: C25.3
Drugs: nelfinavir, gemcitabine
SMILES: [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C, [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Reason stopped: 
    toxicities, lack of funding
  
Eligibility criteria:

        Closed to accrual.
Clinical trial NCT00460603 (phase 1/phase 2, status: completed)
Conditions: colorectal neoplasms
ICD codes: C05.2, C10.0, C16.0, C16.4, C17.0, C17.1, C17.2
Drugs: bevacizumab, ag-013726, ag-013736 (axitinib)
SMILES: [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1, CNC(=O)C1=C(SC2=CC=C3C(NN=C3\C=C\C3=CC=CC=N3)=C2)C=CC=C1
Eligibility criteria:

        Inclusion Criteria:

          -  (Phase 1) Patients with any solid/GI tumor who have had no more than 1 previous
             chemotherapy for greater than 3 months prior to enrollment

          -  (Phase 2) Patients with locally advanced or metastatic colorectal cancer (CRC)
             previously untreated with any systemic therapy.

          -  Patients treated with adjuvant chemotherapy (with radiation) will be eligible if last
             treatment was > 12 months prior to enrollment,

          -  Patients must have measurable disease by RECIST and if any history of hypertension, it
             must be controlled with medication.

        Exclusion Criteria:

          -  Prior system therapy for advanced CRC (Ph 2 portion only)

          -  Prior treatment with anti-angiogenesis agent such as bevacizumab or VEGF inhibitors.

          -  Prior irradiation of greater than 25% of bone marrow (whole pelvis = 25%)

          -  Prior radiation, major surgery, or investigational agent within 4 weeks of study entry
             except palliative radiotherapy to non-target, metastatic lesions. Minor surgeries
             should be completed > 2 weeks of enrollment and be fully recovered from any procedure.
Clinical trial NCT00260741 (phase 1/phase 2, status: terminated)
Conditions: multiple sclerosis
ICD codes: G35, C81.18
Drugs: smoked cannabis
SMILES: CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1
Reason stopped: 
    discontinued due to non-enrollment.
  
Eligibility criteria:

        Inclusion Criteria:

          -  Diagnosis of clinically definite multiple sclerosis as defined by Poser criteria

          -  Primary or secondary disease course

          -  Moderate or severe spasticity

          -  Age 21 or older

        Exclusion Criteria:

          -  Preexisting pulmonary conditions, including poorly controlled asthma, chronic
             bronchitis, emphysema, bronchiectasis, and other significant pulmonary disorders

          -  Preexisting cardiac conditions, including ischemic heart disease, congestive heart
             failure, and other significant cardiac disorders

          -  Inability to abstain from tobacco or marijuana smoking, or use of alcohol or sedative
             or hypnotic medications during the duration of the study

          -  Past history of abuse of recreational drugs, including marijuana and alcohol in the
             last 12 months

          -  History of or currently meets DSM-IV criteria for dependence on cannabis

          -  Use of cannabis, marijuana, or THC in the last two weeks

          -  Preexisting dementia, mania, depression, or schizophrenia or other poorly controlled
             psychiatric illness

          -  Exacerbation of MS within 30 days prior to screenin visit

          -  Current use of cyclophosphamide, mitoxanthrone, or cladribine

          -  Arthritis, bony and soft tissue disorders interfering with spasticity measures

          -  Inability to provide informed consent

          -  Recent cannabis use of more than twice per week one month prior to study entry
Clinical trial NCT00158886 (phase 1, status: terminated)
Conditions: carcinoma, renal cell
ICD codes: C22.0, C4A.9, C7B.1, C4A.0, C4A.31, C4A.51, C4A.8
Drugs: topotecan
SMILES: CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O
Eligibility criteria:

        Inclusion Criteria:

          -  Patients with histologically confirmed rectal cancer.

          -  Candidates for preoperative radiotherapy.

          -  Primary tumor at least 3cm and clinical stage of T2, T3, or T4 and any N according to
             the Astler-Coller modification of the Dukes staging system.

          -  Eastern Cooperative Oncology Group (ECOG) performance status less than 2.

          -  Diagnosis of rectal cancer should be no more than 90 days from start of therapy.

          -  Evaluation at the H. Lee Moffitt Cancer Center.

          -  Recovery from prior surgery and life expectancy at least 3 months.

        Exclusion Criteria:

          -  A primary tumor totally excised.

          -  Recurrent rectal cancer that failed initial treatment.

          -  Exposure to topotecan, infection, immunodeficiencies, conditions of the
             gastrointestinal (GI) tract which would affect absorption, medication that maintains
             motility/gastric emptying.

          -  Any concomitant malignancy within the last five years.

          -  Severe medical problems unrelated to the malignancy which would limit compliance with
             the study.

          -  Patients of child bearing potential.

          -  Not practicing adequate contraception.

          -  Patients who are pregnant or lactating.

          -  Use of an investigational drug within 30 days or 5 half-lives of the first dose.
Clinical trial NCT01671787 (phase 1, status: completed)
Conditions: chronic hepatitis b
ICD codes: B18.0, B18.1, B18.2, B18.8, B18.9
Drugs: gs-7340, tenofovir disoproxil fumarate
SMILES: CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C12)OC1=CC=CC=C1, [H][C@@](C)(CN1C=NC2=C(N)N=CN=C12)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C
Eligibility criteria:

        Inclusion Criteria:

          -  Must be between 18 and 65 years of age

          -  Must have Screening plasma HBV DNA ≥ 2x10^3 IU/mL

          -  Must have chronic HBV infection for at least 6 months

          -  Must have estimated creatinine clearance (CLCr) ≥ 70 mL/min

          -  Not pregnant or nursing

          -  Women must be of non-childbearing potential OR of childbearing potential with
             confirmed negative pregnancy tests

          -  Consistent and correct use of recommended methods of birth control for men and women

        Exclusion Criteria:

          -  Pregnant or lactating subjects

          -  Receipt of anti-HBV nucleoside/nucleotide therapy. Subjects who have failed prior
             Interferon treatment, greater than 6 months prior to screening, are permitted to
             participate in the study screening

          -  Known co-infection with HIV, hepatitis C virus (HCV) or hepatitis D virus (HDV)

          -  Presence of autoimmune disorders

          -  History of liver disease other than Hepatitis B

          -  History of Gilbert's Disease

          -  Any sign of decompensated liver disease

          -  Known or suspected cirrhosis

          -  Evidence of hepatocellular carcinoma

          -  Presence or history of cardiovascular disease, cardiomyopathy, and/or cardiac
             conduction abnormalities

          -  Electrolyte abnormalities

          -  History of treatment that permanently alters the gastric condition

          -  Alcohol or substance abuse

          -  History of bleeding diathesis

          -  Significant bone disease
Clinical trial NCT01900184 (phase 1, status: completed)
Conditions: essential hypertension
ICD codes: I10, O10.02, O10.03, O10.011, O10.012, O10.013, O10.019
Drugs: qgc001 [(3s,3's)-4,4'-dithiobis (3-aminobutane-1-sulfonic acid)], placebo
SMILES: N[C@@H](CCS(O)(=O)=O)CSSC[C@@H](N)CCS(O)(=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:

          -  Caucasian, male healthy subjects of 18 to 45 years of age (inclusive).

          -  Body weight ≥50 kg, with a body mass index calculated as weight in kg/(height in m2)
             from 18 to 27 kg/m2 at screening.

          -  Subjects will sign and date an informed consent form before any study-specific
             screening procedure is performed.

          -  Healthy, as determined by the investigator on the basis of medical history, physical
             examination findings, clinical laboratory test results, vital sign measurements, and
             digital 12 lead ECG readings.

          -  Non-smoker or smoker of fewer than 5 cigarettes per day as determined by history. Must
             be able to abstain from smoking during the inpatient stay.

          -  Have a high probability for compliance with and completion of the study.

        Exclusion Criteria:

          -  Any significant cardiovascular, hepatic, renal, respiratory, gastrointestinal,
             endocrine, immunologic, dermatological, haematological, neurologic, psychiatric
             disease or history of any clinically important drug allergy.

          -  Acute disease state within 7 days before study day 1.

          -  History of drug abuse within 1 year before study day 1.

          -  History of alcoholism within 1 year before day 1. Consumption of more than 50 g of
             ethanol per day.

          -  Positive serologic findings for human immunodeficiency virus antibodies, hepatitis B
             surface antigen, and/or hepatitis C virus antibodies.

          -  Positive findings of urine drug screen (e.g., amphetamines, barbiturates,
             benzodiazepines, cannabinoids, cocaine, methadone, opiates, MDMA)

          -  History of any clinically important drug allergy.

          -  Prohibited Treatments: use of any investigational drug within 90 days or prescription
             drug within 30 days before investigational medical product administration.

          -  Consumption of any caffeine-containing products in excess of 6 cups per day (or
             equivalent), of grapefruit, grapefruit-containing products, or alcoholic beverages
             within 24 hours before study day 1.

          -  Use of any over-the-counter drugs including herbal supplements (except for the
             occasional use of acetaminophen [paracetamol], aspirin and vitamins ≤100% recommended
             daily allowance) within 7 days before investigational medicinal product
             administration.

          -  Donation of blood (i.e. 450 ml) within 90 days before study day 1.
Clinical trial NCT00504842 (phase 1/phase 2, status: terminated)
Conditions: acute ischemic stroke
ICD codes: I25.5, H47.013, H93.013, G45.9, H47.011, H47.012, H47.019
Drugs: mrx-801, placebo
SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Reason stopped: 
    sponsor decision
  
Eligibility criteria:

        Inclusion Criteria:

          -  Acute ischemic stroke

          -  Occlusion demonstrated by transcranial Doppler ultrasound

          -  Eligible for tPA

        Exclusion Criteria:

          -  Right to left cardiac shunt

          -  Moderate to severe COPD

          -  Uncontrolled hypertension
Clinical trial NCT01316315 (phase 1/phase 2, status: completed)
Conditions: asthma
ICD codes: J45.998, J82.83, J45.909, J45.991, J45.20, J45.30, J45.40
Drugs: active, placebo
SMILES: CC1=CC(=CC=C1N1C(CCC(O)=O)=CC=C1C1=CC=C(C=C1)N1C=CN=C1)C(N)=O, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Body mass index (BMI) between 18.5 and 35 kg/m2, inclusive, at screening.

          -  Patient has a ≤ 5 pack years smoking history and nonsmoking for ≥ one year.

          -  Documented history of mild bronchial asthma, first diagnosed at least 6 months and
             currently being treated only with intermittent short-acting beta-agonist therapy by
             inhalation.

          -  Pre-bronchodilator FEV1 ≥ 75% of predicted at screening.

          -  Sensitivity to methacholine with a provocation concentration of methacholine resulting
             in a 20% fall in FEV1 (PC20 methacholine) of ≤ 8 mg/ml at screening.

          -  Demonstrated stable lung function during screening with ≤10% variability between two
             assessments of FEV1 taken at least 7 days apart at approximately the same time of day.

        Exclusion Criteria:

          -  Hypertension at screening is defined as systolic blood pressure (BP) >150 mmHg or
             diastolic BP > 90mmHg.

          -  Respiratory tract infection and/or exacerbation of asthma within prior 4 weeks

          -  History of life-threatening asthma

          -  Administration of steroids within 4 weeks of the screening visit.

          -  History of being unable to tolerate or complete MCh testing.

          -  Blood donation (500 mL) within 3 months of starting the clinical study.

          -  Tested positive for hepatitis C antibody or hepatitis B surface antigen.

          -  Tested positive for human immunodeficiency virus (HIV) antibodies.
Clinical trial NCT00483899 (phase 1, status: completed)
Conditions: asthma
ICD codes: J45.998, J82.83, J45.909, J45.991, J45.20, J45.30, J45.40
Drugs: gw870086x, placebo
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1C(C)(C)C1(C)C)C(=O)OCC#N, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion criteria:

          -  Male subjects aged 18-55

          -  Documented history of bronchial asthma diagnosed at least 6 months ago.

          -  Only being treated with short-acting beta-2-agonist therapy e.g. Ventolin

          -  Documented sensitivity to adenosine mono phosphate (AMP) at screening visit

          -  Demonstrate repeatable and reproducable response to inhaled AMP at the run-in visit

        Exclusion criteria:

          -  Any significant illness or disease

          -  History of life threatening asthma

          -  History of respiratory tract infection

          -  Subjects who take medication for their asthma, or other conditions, not compatible
             with this study.

          -  Smoker

          -  Subjects who are oversensitive to corticosteroids

          -  History of drug or alcohol abuse

          -  Donated blood within last 3 months

          -  Been involved in another clinical trial during the last 3 months

          -  Subjects who work night shifts

          -  Subjects who are undergoing de-sensitisation therapy
Clinical trial NCT00681798 (phase 1, status: completed)
Conditions: pancreatic cancer
ICD codes: C25.3
Drugs: vandetanib
SMILES: [H]\C(=C(\[H])C1=CC=C(OC)C=C1)C(=O)OCC(CC)CCCC
Eligibility criteria:

        Inclusion Criteria:

          -  Confirmed diagnosis of locally advanced unresectable or metastatic pancreatic
             adenocarcinoma

          -  ECOG performance status <1

          -  Measurable disease

        Exclusion Criteria:

          -  Severe or uncontrolled systemic disease

          -  Clinically significant cardiac event such as myocardial infarction

          -  Any concomitant medication that may cause OTc prolongation, include Torsades de
             Pointes
Clinical trial NCT00728390 (phase 1, status: completed)
Conditions: carcinoma, non-small cell, neoplasm metastasis
ICD codes: C05.2, C10.0, C16.0, C16.4, C17.0, C17.1, C17.2
Drugs: pf-00299804
SMILES: COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically documented advanced cancer, Eastern Cooperative Oncology Group (ECOG)
             0-1;

          -  Platelets > 100,000, ANC > 1500;

          -  Ccr > 60 or serum creat. <1.5

          -  Non-small cell cancer cohort:

          -  Eastern Cooperative Oncology Group (ECOG) 0-2, prior platin, < 4 prior chemotherapy
             regimen

          -  HgA1C <5.7%

        Exclusion Criteria:

          -  Active Central Nervous System (CNS) metastases;

          -  prior IGF1-R targeted therapy

          -  Any history of unstable angina, myocardial infarction or symptomatic congestive heart
             failure.
Clinical trial NCT00704132 (phase 1, status: completed)
Conditions: type 2 diabetes mellitus (t2dm)
ICD codes: E23.2, N25.1, P70.2, O24.92, Z83.3, Z86.32, E10.65
Drugs: comparator: sitagliptin phosphate, comparator: placebo (unspecified)
SMILES: CN(C)C(=N)NC(N)=N, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Inclusion Criteria:

          -  Participant has type 2 diabetes mellitus

          -  Males

          -  Females who are highly unlikely to become pregnant

          -  Participants poorly controlled without taking any, or taking one or two oral
             antidiabetic medications

        Exclusion Criteria:

          -  Participant has a history of type 1 diabetes mellitus or history of ketoacidosis

          -  Participant required insulin therapy within the prior 8 weeks

          -  Participant is on or has been taking TZDs such as Actos® (pioglitazone) or Avandia®
             (rosiglitazone) within the prior 12 weeks of the screening visit
Clinical trial NCT01394055 (phase 1, status: completed)
Conditions: diabetes mellitus type 1 and 2, diabetes mellitus complications, gastroparesis, gastrointestinal motility disorder
ICD codes: E10.9, E11.9, E13.9, E10.8, E11.8, E13.8, E08.9, K31.84, A21.3, A22.2, B46.2, K92.2, K92.81, K91.0, P54.3
Drugs: rm-131, placebo
SMILES: NC(=O)C1(CCNCC1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H](CC1=CSC2=CC=CC=C12)NC(=O)C1CCNCC1, CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O
Eligibility criteria:

        Key Inclusion Criteria:

          -  Able to provide written informed consent prior to any study procedures.

          -  Diagnosis of Type 1 or 2 diabetic gastroparesis.

          -  Controlled Type 1 or 2 diabetes mellitus (HbA1c <10.1%).

          -  Stable concomitant medications defined as no changes in regimen for at least 2 weeks
             prior to Period 1 (daily adjustments of insulin doses are permitted).

          -  Body mass index of 18-40 kg/m².

        Key Exclusion Criteria:

          -  Unable or unwilling to provide informed consent or to comply with study procedures.

          -  History of gastric surgery such as fundoplication, gastrectomy, gastric pacemaker
             placement, vagotomy, bariatric procedure. (Note: history of diagnostic endoscopy is
             not exclusionary).

          -  Acute or chronic illness or history of illness, which in the opinion of the
             Investigator, could pose a threat or harm to the patient or obscure interpretation of
             laboratory test results or interpretation of study data such as frequent angina, Class
             III or IV congestive heart failure, poor renal or hepatic function, etc.

          -  Any clinically significant abnormalities on screening laboratories as determined by
             the Investigator.

          -  Abnormal 12-lead electrocardiogram (ECG), including evidence of acute myocardial or
             subendocardial ischemia and clinically significant arrhythmias or conduction
             abnormalities or blood pressure at screening except minor deviations deemed to be of
             no clinical significance by the Investigator.

          -  Poor venous access or inability to tolerate venipuncture.

          -  Acute GI illness within 48 hours of Period 1.

          -  Positive pregnancy test.

          -  Participation in a clinical study within the 30 days prior to dosing in the present
             study.

          -  Any other reason, which in the opinion of the Investigator, would confound proper
             interpretation of the study.
Clinical trial NCT00521144 (phase 1/phase 2, status: completed)
Conditions: recurrent small cell lung cancer, unspecified adult solid tumor, protocol specific
ICD codes: C78.00, C78.01, C78.02, D14.30, D14.31, D14.32, C34.2, H01.009, H02.209, H02.009, H02.109, H04.209, H05.409, H10.509
Drugs: obatoclax mesylate, topotecan hydrochloride
SMILES: COC1=CC(=N\C1=C/C1=C(C)C=C(C)N1)C1=CC2=CC=CC=C2N1, CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O
Eligibility criteria:

        Inclusion Criteria:

          -  Histologically or cytologically confirmed diagnosis of 1 of the following:

               -  Advanced solid tumor (phase I)

                    -  Topotecan hydrochloride must be an appropriate treatment for this cancer

               -  Small cell lung cancer (SCLC) (phase II)

                    -  Progressed after one prior platinum-based chemotherapy regimen

                    -  Pathology materials (tumor tissue) will be used for correlative studies, if
                       available

          -  No progressive brain metastases

               -  Treated brain metastases allowed provided patient is neurologically stable and
                  does not require steroids

          -  No leptomeningeal involvement

          -  ECOG performance status (PS) 0-1 OR Karnofsky PS 70-100%

          -  Leukocytes ≥ 3,000/mcL

          -  Absolute neutrophil count ≥ 1,500/mcL

          -  Platelet count ≥ 100,000/mcL

          -  Total bilirubin normal

          -  AST and ALT ≤ 2.5 times upper limit of normal

          -  Creatinine normal OR creatinine clearance ≥ 60 mL/min

          -  Not pregnant or nursing

          -  Fertile patients must use effective double barrier method of contraception during and
             for 3 months after completion of study therapy

          -  At least 4 weeks since prior chemotherapy (6 weeks for nitrosoureas or mitomycin C)
             and recovered

          -  At least 4 weeks since prior radiotherapy and recovered

          -  No concurrent combination antiretroviral therapy for HIV-positive patients

          -  No other concurrent investigational agents or anticancer therapy

        Exclusion Criteria:

          -  History of allergic reactions attributed to compounds of similar chemical or
             biological composition to obatoclax mesylate or topotecan hydrochloride (e.g.,
             irinotecan)

          -  Concurrent uncontrolled illness including, but not limited to, any of the following:

               -  Ongoing or active infection

               -  Symptomatic congestive heart failure

               -  Unstable angina pectoris

               -  Cardiac arrhythmia

               -  Psychiatric illness or social situations that would limit compliance with study
                  requirements

          -  History of seizure disorder or other neurological dysfunction (except peripheral
             neuropathy)