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Maximum Recommended Therapeutic Dose (MRTD) Database

FDA's Center for Drug Evaluation and Research, Office of Pharmaceutical Science, Informatics and Computational Safety Analysis Staff's Maximum Recommended Therapeutic Dose (MRTD) database contains values for 1,220 pharmaceuticals listed in Martindale: The Extra Pharmacopoeia (1973, 1983, and 1993) and The Physicians' Desk Reference (1995 and 1999).

Most of the MRTD values in the database were determined from pharmaceutical clinical trials that employed an oral route of exposure and daily treatments, usually for 3 - 12 months. The pharmaceuticals were given as single or divided dose treatment regimens to achieve desired pharmacological effects. In contrast, roughly 5% of the pharmaceuticals in the MRTD database were antineoplastics and anesthetics and were administered intravenously and/or intramuscularly. When separate MRTDs were reported for different routes of exposure, only the oral MRTD was included in the database. In addition, some pharmaceuticals have different MRTD values for male and female adults, children, or elderly patients. In this situation only MRTD values for the average adult patient were used and are reported here.

Pharmaceuticals that are administered orally are usually tested over a limited range of doses and have MRTDs reported as mg/day. We converted the mg/day unit to mg/kg-body weight (bw)/day based upon an average adult weighing 60 kg. In contrast, the dose unit for most antineoplastic drug MRTDs is reported as mg/m2 which was converted to mg/kg-bw/day using the formula mg/kg-bw/day = mg/m2/37 for an average adult. Additionally, a few drugs had MRTDs reported in parts per million (ppm) which were converted to mg/kg-bw/day on the basis that 1000 ppm equals 25 mg/kg-bw/day for an average 60 kg adult. MRTD values for the 1,220 chemicals in this dataset range from 0.00001 to 1000 mg/kg-bw/day.

Some classes of chemicals were excluded from the MRTD database due to their unsuitability for most QSAR modeling programs. These were: inorganic chemicals, high molecular weight polymers (>5000 Daltons), fibers, salts, mixtures of organic chemicals and small molecules (<100 Daltons).

The MRTD database displayed in the table format below contains three fields or columns of  information:

  1. Maximum Recommended Therapeutic Dose (MRTD) value for adults expressed in mg/kg-bw/day
  2. The generic name of each chemical
  3. The chemical structure in Simplified Molecular Input Line Entry System (SMILES) code format (generated using MultiCASE Inc.'s MC4PC program)

All data contained in this file are non-proprietary.

This is the non-proprietary portion of the information on which the research published as "Matthews, E.J., Kruhlak, N.L., Benz, R.D., and Contrera, J.F. Assessment of the health effects of chemicals in humans: I. QSAR estimation of the maximum recommended therapeutic dose (MRTD) and no effect level (NOEL) of organic chemicals based on clinical trial data, Current Drug Discovery Technologies, 2004, 1:61-76" was based. The abstract for this report is as follows:

The primary objective of this investigation was to develop a QSAR model to estimate the no effect level (NOEL) of chemicals in humans using data derived from pharmaceutical clinical trials and the MCASE software program. We believe that a NOEL model derived from human data provides a more specific estimate of the toxic dose threshold of chemicals in humans compared to current risk assessment models which extrapolate from animals to humans employing multiple uncertainty safety factors. A database of the maximum recommended therapeutic dose (MRTD) of marketed pharmaceuticals was compiled. Chemicals with low MRTDs were classified as high-toxicity compounds; chemicals with high MRTDs were classified as low-toxicity compounds. Two separate training data sets were constructed to identify specific structural alerts associated with high and low toxicity chemicals. A total of 134 decision alerts correlated with toxicity in humans were identified from 1309 training data set chemicals. An internal validation experiment showed that predictions for high- and low-toxicity chemicals were good (positive predictivity >92%) and differences between experimental and predicted MRTDs were small (0.27 - 0.70 log-fold). Furthermore, the model exhibited good coverage (89.9 - 93.6%) for three classes of chemicals (pharmaceuticals, direct food additives, and food contact substances). An additional investigation demonstrated that the maximum tolerated dose (MTD) of chemicals in rodents was poorly correlated with MRTD values in humans (R2 = 0.2005, n = 326). Finally, this report discusses experimental factors which influence the accuracy of test chemical predictions, potential applications of the model, and the advantages of this model over those which rely only on results of animal toxicology studies.

More recently, these data were used as the basis of the research published as "Contrera, J.F., Matthews, E.J., Kruhlak, N.L., and Benz, R.D. (2004) Estimating the Safe Starting Dose in Phase I Clinical Trials and No Observed Effect Level Based on QSAR Modeling of the Human Maximum Recommended Daily Dose. Regulatory Toxicology and Pharmacology 40:185-206." The abstract for this article is as follows:

Estimating the maximum recommended starting dose (MRSD) of a pharmaceutical for phase I human clinical trials and the no observed effect level (NOEL) for non-pharmaceuticals is currently based exclusively on an extrapolation of the results of animal toxicity studies. This process is inexact and requires the results of toxicity studies in multiple species (rat, dog, and monkey) to identify the no observed adverse effect level (NOAEL) and most sensitive test species. Multiple uncertainty (safety) factors are also necessary to compensate for incompatibility and uncertainty underlying the extrapolation of animal toxicity to humans. The maximum recommended daily dose for pharmaceuticals (MRDD) is empirically derived from human clinical trials. The MRDD is an estimated upper dose limit beyond which a drug's efficacy is not increased and/or undesirable adverse effects begin to outweigh beneficial effects. The MRDD is essentially equivalent to the NOAEL in humans, a dose beyond which adverse (toxicological) or undesirable pharmacological effects are observed. The NOAEL in test animals is currently used to estimate the safe starting dose in human clinical trials. MDL QSAR predictive modeling of the human MRDD may provide a better, simpler and more relevant estimation of the MRSD for pharmaceuticals and the toxic dose threshold of chemicals in humans than current animal extrapolation based risk assessment models and may be a useful addition to current methods. A database of the MRDD for over 1300 pharmaceuticals was compiled and modeled using MDL QSAR software and E-state and connectivity topological descriptors. MDL QSAR MRDD models were found to have good predictive performance with 74–78% of predicted MRDD values for 120 internal and 160 external validation compounds falling within a range of ±10-fold the actual MRDD value. The predicted MRDD can be used to estimate the MRSD for pharmaceuticals in phase I clinical trials with the addition of a 10-fold safety factor. For non-pharmaceutical chemicals any compound-related effect can be considered an undesirable and adverse toxicological effect and the predicted MRDD can be used to estimate the NOEL with the addition of an appropriate safety factor.

 

An enhanced and modified version of this database may be found on the Distributed Structure-Searchable Toxicity (DSSTox) Public Database Network. [external link]

Please send questions or comments concerning the contents of this page to: R.Daniel.Benz@fda.hhs.gov.

 

Maximum Recommended Therapeutic Dose (MRTD) Database (1,220 pharmaceuticals)

A     C   D   E   F-G   H-K   L   M   N   O   P   Q-R   S   T   U-Z

MRTD   
(mg/kg-  
bw/day)  
Generic Chemical Name Chemical Structure (SMILES Code)
3.00000  Acemetacin C1=C(OC)C=C3C(=C1)N(C(=O)C2=CC=C(Cl)C=C2)C(C)=C3CC(=O)OCC(O)=O
0.20000 Acenocoumarol C1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=C(N(=O)=O)C=C2)=C3O
50.00000 Acetaminophen C1(O)=CC=C(NC(C)=O)C=C1
5.00000 Acetanilide C1=CC=CC=C1NC(C)=O
16.70000 Acetazolamide N1N=C(S(N)(=O)=O)SC=1NC(C)=O
25.00000 Acetohexamide C2=C(C(C)=O)C=CC(S(=O)(=O)NC(=O)NC1CCCCC1)=C2
16.70000 Acetohydroxamic acid CC(=O)NO
10.00000 Acetophenazine C1=CC=C3C(=C1)N(CCCN2CCN(CCO)CC2)C4=C(S3)C=CC(C(C)=O)=C4
66.70000 Acetosulfone C2=C(N)C=CC(S(=O)(=O)C1=CC=C(N)C=C1S(=O)(=O)NC(C)=O)=C2
100.00000 Acetrizoic acid C1(I)=CC(I)=C(NC(C)=O)C(I)=C1C(O)=O
10.00000 Acetylcysteine O=C(O)C(NC(C)=O)CS
0.00333 Acetyldigitoxin C68(O)C1C([H])(C5(C)C(CC1)CC(OC4CC(O)C(OC3CC(O)C(OC2CC(OC(C)=O)C(O)C(C)O2)C(C)O3)C(C)O4)CC5)CCC6(C)C(C7COC(=O)C=7)CC8
0.15000 Acetylpromazine C1=CC=C2C(=C1)N(CCCN(C)C)C3=C(S2)C=CC(C(C)=O)=C3
1.25000 Acitretin C1(C)=C(OC)C=C(C)C(C=CC(C)=CC=CC(C)=CC(O)=O)=C1C
2.70000 Aclacinomycin A C1=CC(O)=C2C(=C1)C(=O)C3=C(C2=O)C(O)=C7C(=C3)C(C(=O)OC)C(O)(CC)CC7OC6CC(N(C)C)C(OC5CC(O)C(OC4CCC(=O)C(C)O4)C(C)O5)C(C)O6
0.53300 Acrivastine C(=CCN1CCCC1)(C2=CC=C(C)C=C2)C3=CC=CC(C=CC(O)=O)=N3
13.30000 Acyclovir N1C(N)=NC2=C(C1=O)N=CN2COCCO
15.00000 Adenine N1=CN=C2C(=C1N)N=CN2
2.00000 Adenosine N1=CN=C3C(=C1N)N=CN3C2OC(CO)C(O)C2O
0.20000 Adenosine triphosphate N1=CN=C3C(=C1N)N=CN3C2OC(COP(=O)(O)OP(O)(=O)OP(O)(O)=O)C(O)C2O
0.33300 Adenosine-5-phosphate N1=CN=C3C(=C1N)N=CN3C2OC(COP(O)(=O)O)C(O)C2O
7.50000 Adiphenine C2=CC=CC(C(C(=O)OCCN(CC)CC)C1=CC=CC=C1)=C2
1.00000 Afloqualone C1(N)=CC=C3C(=C1)C(=O)N(C2=CC=CC=C2C)C(CF)=N3
13.30000 Albendazole C1=C(SCCC)C=C2C(=C1)NC(NC(O)=O)=N2
0.53300 Albuterol C1(CO)=C(O)C=CC(C(O)CNC(C)(C)C)=C1
40.00000 Albutoin N1(CC=C)C(=S)C(CC(C)C)NC1=S
1.67000 Alclofenac C1(OCC=C)=CC=C(CC(=O)O)C=C1Cl
0.00833 Aldosterone C1C(=O)C=C2C(C)(C1)C3C(CC2)C5C4(CC3OC4O)C(C(=O)CO)CC5
0.66700 Alendronic Acid NCCCC(O)(P(O)(O)=O)P(O)(O)=O
0.00300 Alfacalcidol C3C(O)CC(=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)C)C(=C)C3O
0.24500 Alfentanil N3=NN(CC)C(=O)N3CCN2CCC(COC)(N(C1=CC=CC=C1)C(=O)CC)CC2
1.33000 Alinidine C2=CC=C(Cl)C(N(CC=C)C1=NCCN1)=C2Cl
3.33000 Allobarbital C1(=O)C(CC=C)(CC=C)C(=O)NC(=O)N1
13.30000 Allopurinol N1C=NC2=C(C=1O)C=NN2
0.25000 Allylestrenol C1CC=C2C([H])(C1)C3([H])C([H])(CC2)C4([H])C(C)(CC3)C(O)(CC=C)CC4
0.50000 Alphaprodine C2=CC=CC(C1(OC(=O)CC)C(C)CNCC1)=C2
0.67500 Alphaxalone C1C(O)CC2C(C)(C1)C3C(CC2)C4C(C)(CC3=O)C(C(C)=O)CC4
0.16700 Alprazolam C1=C(Cl)C=C3C(=C1)N4C(CN=C3C2=CC=CC=C2)=NN=C4C
0.00010 Alprostadil C1(C=CC(O)CCCCC)C(O)CC(=O)C1CCCCCCC(O)=O
5.41000 Altretamine N1=C(N(C)C)N=C(N(C)C)N=C1N(C)C
6.67000 Amantadine C1C2CC3CC1(N)CC(C2)C3
0.16700 Ambazone C1C(=NNC(N)=N)C=CC(=NNC(N)=S)C=1
1.67000 Ambenonium chloride [N+](CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)(CC)(CC)CC2=CC=CC=C2Cl
2.00000 Ambroxol C2=C(Br)C=C(Br)C(N)=C2CNC1CCC(O)CC1
15.00000 Amdinocillin C3CCCCCN3C=NC1C(=O)N2C1SC(C)(C)C2C(O)=O
24.60000 Amifostine P(O)(=O)(O)SCCNCCCN
15.00000 Amikacin C3(OC1OC(CO)C(O)C(N)C1O)C(NC(=O)C(O)CCN)CC(N)C(OC2OC(CN)C(O)C(O)C2O)C3O
200.00000 Aminocaproic acid C(N)CCCCC(O)=O
0.00833 Aminofolic acid, 4- C3=C(C(=O)NC(CCC(O)=O)C(O)=O)C=CC(NCC1=NC2C(N=C1)=NC(N)=NC=2N)=C3
16.70000 Aminoglutethimide N2C(=O)CCC(C1=CC=C(N)C=C1)(CC)C2=O
10.00000 Aminohippuric acid C1=C(N)C=CC(C(=O)NCC(O)=O)=C1
200.00000 Aminosalicylic acid C1=C(N)C=C(O)C(C(O)=O)=C1
26.70000 Amiodarone C1=CC=C3C(=C1)OC(CCCC)=C3C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2
2.50000 Amithiozone C1=C(NC(C)=O)C=CC(C=NNC(N)=S)=C1
5.00000 Amitriptyline C1=CC=C2C(=C1)CCC3=C(C2=CCCN(C)C)C=CC=C3
2.50000 Amlenanox C1=C(C(C)C)C=C2C(=C1)OC3=C(C2=O)C=C(C(=O)O)C(N)=N3
0.16700 Amlodipine C2=C(Cl)C(C1C(C(=O)OC)=C(C)NC(COCCN)=C1C(=O)OCC)=CC=C2
3.33000 Amodiaquine C1(Cl)=CC=C3C(=C1)N=CC=C3NC2=CC(CN(CC)CC)=C(O)C=C2
10.00000 Amoxapine C1=C(Cl)C=C3C(=C1)OC4=C(N=C3N2CCNCC2)C=CC=C4
25.00000 Amoxicillin C3(O)=CC=C(C(N)C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O)C=C3
1.00000 Amphetamine C1=CC=CC(CC(N)C)=C1
1.50000 Amphotericin B C2(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(OC1([H])C(O)C(N)C(O)C(C)O1)CC3([H])C(C(O)=O)C(O)CC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)O2)O3
58.30000 Ampicillin C3=CC=C(C(N)C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O)C=C3
0.75000 Amrinone C2(N)C(=O)NC=C(C1=CC=NC=C1)C=2
3.24000 AMSA, M- C4=C(OC)C(NC1C3C(N=C2C=1C=CC=C2)=CC=CC=3)=CC=C4NS(=O)(=O)C
5.00000 Amyl nitrite CC(C)CCON=O
5.00000 Amyl nitrite CCC(C)CON=O
0.01670 Anastrozole C2=C(C(C)(C)C#N)C=C(C(C)(C)C#N)C=C2CN1N=CN=C1
20.00000 Ancitabine N1C(=N)C=CN2C=1OC3C2C(O)C(CO)O3
2.50000 Androstenediol C13([H])C([H])(C2(C)C(=CC1)CC(O)CC2)CCC4(C)C3([H])CCC4O
3.33000 Anileridine C3=CC=C(C2(C(=O)OCC)CCN(CCC1=CC=C(N)C=C1)CC2)C=C3
5.00000 Anisindione C1=CC=C3C(=C1)C(=O)C(C2=CC=C(OC)C=C2)C3=O
2.50000 Anisotropine methylbromide C1C2CCC(CC1OC(=O)C(CCC)CCC)[N+]2(C)C
5.00000 Antazoline C3=CC=CC(CN(CC1NCCN=1)C2=CC=CC=C2)=C3
1.67000 Apomorphine C1(O)=CC=C3C(=C1O)C2C=CC=C4C=2C(C3)N(C)CC4
5.00000 Aprindine C1=CC=C3C(=C1)CC(N(CCCN(CC)CC)C2=CC=CC=C2)C3
2.67000 Aprobarbital N1C(=O)NC(=O)C(CC=C)(C(C)C)C1=O
0.03330 Arecoline C1CC=C(C(=O)OC)CN1C
500.00000 Arginine NC(=N)NCCCC(N)C(O)=O
0.33300 Arotinolol C2C=C(C1=CSC(SCC(O)CNC(C)(C)C)=N1)SC=2C(=O)N
100.00000 Ascorbic acid C1(O)=C(O)C(C(O)CO)OC1=O
100.00000 Aspartic acid, L- OC(=O)CC(N)C(O)=O
66.70000 Aspirin C1=CC=CC(OC(=O)C)=C1C(=O)O
0.16700 Astemizole C1=CC=C5C(=C1)N(CC2=CC=C(F)C=C2)C(NC4CCN(CCC3=CC=C(OC)C=C3)CC4)=N5
6.67000 Astromicin A C2(C(N)C)CCC(N)C(OC1C(O)C(N(C)C(=O)CN)C(OC)C(O)C1N)O2
6.67000 Astromicin B C2(C(N)C)CCC(N)C(OC1C(O)C(NC)C(OC)C(O)C1N)O2
5.00000 Asverin C3C=CSC=3C(=C1CN(C)CCC1)C2SC=CC=2
5.00000 Atabrine C1=C(Cl)C=C2C(=C1)C(NC(C)CCCN(CC)CC)=C3C(=N2)C=CC(OC)=C3
3.33000 Atenolol C1=C(CC(N)=O)C=CC(OCC(O)CNC(C)C)=C1
37.50000 Atovaquone C1=CC=C4C(=C1)C(=O)C(C3CCC(C2=CC=C(Cl)C=C2)CC3)=C(O)C4=O
0.50000 Atracurium C1(OC)=C(OC)C=C6C(=C1)CC[N+](C)(CCC(=O)OCCCCCOC(=O)CC[N+]3(C)C(CC2=CC(OC)=C(OC)C=C2)C4=C(CC3)C=C(OC)C(OC)=C4)C6CC5=CC=C(OC)C(OC)=C5
0.00133 Atropine C3=CC=CC(C(C(=O)OC1CC2CCC(C1)N2C)CO)=C3
0.05000 Atropine N-oxide O(C1CC2CCC(C1)[N+]2(O)C)C(=O)C(CO)C3=CC=CC=C3
20.30000 Azacytidine, 5- N2(C1C(O)C(O)C(CO)O1)C(=O)N=C(N)N=C2
30.00000 Azapropazone C1(C)=CC=C2C(=C1)N3N(C(N(C)C)=N2)C(=O)C(CCC)C3=O
170.00000 Azaribine,6- N2C(=O)N(C1C(OC(C)=O)C(OC(=O)C)C(COC(=O)C)O1)N=CC2=O
0.03330 Azatadine C1=CC=C3C(=C1)C(=C2CCN(C)CC2)C4=C(CC3)C=CC=N4
5.00000 Azathioprine N2C=NC3=C(C=2SC1N(C)C=NC=1N(=O)=O)NC=N3
0.13300 Azelastine C1=CC=C4C(=C1)C(=O)N(C2CCCN(C)CC2)N=C4CC3=CC=C(Cl)C=C3
100.00000 Azlocillin C4=CC=CC(C(C(=O)NC1C(=O)N2C1SC(C)(C)C2C(O)=O)NC(=O)N3CCNC3=O)=C4
133.00000 Aztreonam C2(C(=NOC(C)(C)C(O)=O)C(=O)NC1C(=O)N(S(O)(=O)=O)C1C)N=C(N)SC=2
1.33000  Baclofen C(=O)(O)CC(C1=CC=C(Cl)C=C1)CN
30.00000 Bamifylline N1(C)C(=O)N(C)C3=C(C1=O)N(CCN(CCO)CC)C(CC2=CC=CC=C2)=N3
10.00000 Barbital C1(=O)C(CC)(CC)C(=O)NC(=O)N1
0.15000 Benactyzine OC(C(=O)OCCN(CC)CC)(C1=CC=CC=C1)C2=CC=CC=C2
1.33000 Benazepril C1=CC=C3C(=C1)N(CC(O)=O)C(=O)C(NC(C(=O)OCC)CCC2=CC=CC=C2)CC3
10.00000 Bencyclane C2CCCCCC2(CC1=CC=CC=C1)OCCCN(C)C
0.33300 Bendroflumethiazide C1(S(N)(=O)=O)=C(C(F)(F)F)C=C3C(=C1)S(=O)(=O)NC(CC2=CC=CC=C2)N3
0.13300 Benidipene C4=CC=C(N(=O)=O)C=C4C3C(C(=O)OC2CN(CC1=CC=CC=C1)CCC2)=C(C)NC(C)=C3C(=O)OC
133.00000 Benorylate C2(OC(C)=O)=CC=CC=C2C(=O)OC1=CC=C(NC(C)=O)C=C1
10.00000 Benoxaprofen C1=C(C(C)C(O)=O)C=C3C(=C1)OC(C2=CC=C(Cl)C=C2)=N3
3.33000 Benserazide C1(O)=C(O)C=CC(CNNC(=O)C(N)CO)=C1O
5.00000 Benzbromarone C1=CC=C3C(=C1)OC(CC)=C3C(=O)C2=CC(Br)=C(O)C(Br)=C2
1.20000 Benzocaine C1=C(N)C=CC(C(=O)OCC)=C1
1.00000 Benzoctamine C1=CC=C2C(=C1)C3(CNC)C4=C(C2CC3)C=CC=C4
10.00000 Benzonatate C1(NCCCC)=CC=C(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C=C1
2.50000 Benzphetamine C2=CC=CC(CC(C)N(C)CC1=CC=CC=C1)=C2
0.41700 Benzquinamide C1(OC)=C(OC)C=C2C(=C1)C3N(CC2)CC(C(=O)N(CC)CC)C(OC(C)=O)C3
3.33000 Benzthiazide C1(S(N)(=O)=O)=C(Cl)C=C3C(=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)=N3
0.10000 Benztropine C3C4CCC(CC3OC(C1=CC=CC=C1)C2=CC=CC=C2)N4C
5.00000 Benzyl alcohol C1=CC=CC=C1CO
41.70000 Bephenium hydroxynaphthoate C1=CC=C2C(=C1)C=C(C(O)=O)C(O)=C2
41.70000 Bephenium hydroxynaphthoate C2=CC=CC=C2C[N+](C)(C)CCOC1=CC=CC=C1
6.67000 Bepridil N(CC(N1CCCC1)COCC(C)C)(CC2=CC=CC=C2)C3C=CC=CC=3
0.05000 Beta-carotene C2CCC(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)(C)CCCC=1C)C2(C)C
0.80000 Betahistine C1=CC=CC(CCNC)=N1
8.33000 Betaine OC(=O)C[N+](C)(C)C
0.15000 Betamethasone C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(O)(C(=O)CO)C(C)C4
0.15000 Betamethasone acetate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(O)(C(=O)COC(C)=O)C(C)C4
0.15000 Betamethasone acibutate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(C(=O)COC(=O)C)(OC(=O)C(C)C)C(C)C4
0.15000 Betamethasone benzoate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C5C(C)(CC3O)C(C(=O)CO)(OC(=O)C4=CC=CC=C4)C(C)C5
0.15000 Betamethasone butyrate propionate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(C(=O)COC(=O)CC)(OC(=O)CCC)C(C)C4
0.15000 Betamethasone dipropionate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(C(=O)COC(=O)CC)(OC(=O)CC)C(C)C4
0.15000 Betamethasone valerate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(C(=O)CO)(OC(=O)CCCC)C(C)C4
0.66700 Betaxolol C2CC2COCCC1=CC=C(OCC(O)CNC(C)C)C=C1
0.50000 Betazole C1(CCN)C=CNN=1
3.33000 Bethanechol NC(=O)OC(C)C[N+](C)(C)C
3.33000 Bethanidine C1=CC=CC(CNC(NC)=NC)=C1
0.83300 Bicalutamide C2=CC(C#N)=C(C(F)(F)F)C=C2NC(=O)C(C)(O)CS(=O)(=O)C1=CC=C(F)C=C1
0.00333 Biotin C1(CCCCC(O)=O)SCC2C1NC(=O)N2
0.20000 Biperiden C4=CC(C(O)(CCN1CCCCC1)C23CCC(C=C2)C3)=CC=C4
0.25000 Bisacodyl C3=CC(C(C1=CC=C(OC(C)=O)C=C1)C2=CC=C(OC(C)=O)C=C2)=NC=C3
0.33300 Bisoprolol C1=CC(COCCOC(C)C)=CC=C1OCC(O)CNC(C)C
0.03700 Bitolterol C(=O)(OC2=C(OC(=O)C1=CC=C(C)C=C1)C=CC(C(O)CNC(C)(C)C)=C2)C3C=CC(C)=CC=3
0.01670 Bopindolol C2=CC(OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1)=C3C(=C2)NC(C)=C3
5.00000 Bretylium tosylate C1=CC=C(Br)C(C[N+](C)(C)CC)=C1
0.80000 Bromhexine C2(Br)=CC(Br)=C(N)C(CN(C)C1CCCCC1)=C2
1.67000 Bromocriptine N56C(O)(OC(NC(=O)C4C=C3C2=C1C(=C(Br)NC1=CC=C2)CC3N(C)C4)(C(C)C)C5=O)C7N(C(=O)C6CC(C)C)CCC7
2.50000 Bromodiphenhydramine C2=CC(C(OCCN(C)C)C1=CC=C(Br)C=C1)=CC=C2
25.00000 Bromoform BrC(Br)Br
0.83300 Bromperidol C3=C(Br)C=CC(C2(O)CCN(CCCC(=O)C1=CC=C(F)C=C1)CC2)=C3
0.40000 Brompheniramine C2=CC(C(C1=CC=C(Br)C=C1)CCN(C)C)=NC=C2
0.00417 Brotizolam C1=C(Br)SC3=C1C(C2=CC=CC=C2Cl)=NCC4N3C(C)=NN=4
1.50000 Brown HT C1=CC=C5C(=C1)C(N=NC4=C(O)C(NNC2=CC=C(S(O)(=O)=O)C3C2=CC=CC=3)=C(O)C(CO)=C4)=CC=C5S(O)(=O)=O
2.50000 Buclizine C4=C(Cl)C=CC(C(C1=CC=CC=C1)N3CCN(CC2=CC=C(C(C)(C)C)C=C2)CC3)=C4
20.00000 Bucloxic acid C2CCCC(C1=C(Cl)C=C(C(=O)CCC(O)=O)C=C1)C2
0.00433 Budesonide C1C(=O)C=C2C(C)(C=1)C3C(CC2)C4C(C)(CC3O)C5(C(=O)CO)C(C4)OC(CCC)O5
10.00000 Buflomedil C2(OC)=CC(OC)=CC(OC)=C2C(=O)CCCN1CCCC1
11.00000 Bumadizone C2=CC(N(C(=O)C(CCCC)C(=O)O)NC1=CC=CC=C1)=CC=C2
0.16700 Bumetanide S(=O)(=O)(N)C2=C(OC1=CC=CC=C1)C(NCCCC)=CC(C(=O)O)=C2
0.05000 Bunazosin C1(OC)=C(OC)C=C3C(=C1)N=C(N2CCCN(C(=O)CCC)CC2)N=C3N
0.66700 Bunitrolol C1=CC=CC(OCC(O)CNC(C)(C)C)=C1C#N
0.25000 Bunolol C1C(=O)C2=C(CC1)C(OCC(O)CNC(C)(C)C)=CC=C2
3.75000 Bupivacaine C2CN(CCCC)C(C(=O)NC1=C(C)C=CC=C1C)CC2
6.67000 Bupranolol C1(C)=CC=C(Cl)C(OCC(O)CNC(C)(C)C)=C1
0.01500 Buprenorphine C1C=C(O)C5=C2C=1CC7C34C2(C(C(OC)(C(C(O)(C)C(C)(C)C)C3)CC4)O5)CCN7CC6CC6
7.50000 Bupropion C1=CC(Cl)=CC(C(=O)C(C)NC(C)(C)C)=C1
1.00000 Buspirone C3C4(CC(=O)N(CCCCN2CCN(C1=NC=CC=N1)CC2)C3=O)CCCC4
0.13300 Busulfan S(=O)(=O)(C)OCCCCOS(=O)(=O)C
2.00000 Butabarbital C1(CC(C)C)(CC=C)C(=O)NC(=O)NC1=O
4.00000 Butalamine C2(C1=CC=CC=C1)N=C(NCCN(CCCC)CCCC)ON=2
5.00000 Butalbital C1(=O)C(CC=C)(CC(C)C)C(=O)NC(=O)N1
1.67000 Butaperazine C1=CC=C3C(=C1)N(CCCN2CCN(C)CC2)C4=C(S3)C=CC(C(=O)CCC)=C4
0.25000 Buthiazide C1(S(N)(=O)=O)=C(Cl)C=C2C(=C1)S(=O)(=O)NC(CC(C)C)N2
0.26700 Butorphanol C1=C(O)C=C2C(=C1)CC5C3(O)C2(CCCC3)CCN5CC4CCC4
2.50000 Butriptyline C1(CC(C)CN(C)C)C3=C(CCC2=C1C=CC=C2)C=CC=C3
0.50000 Butropium bromide C4C3CC(OC(=O)C(CO)C1=CC=CC=C1)CC([N+]3(C)CC2=CC=C(OCCCC)C=C2)C4
0.20000 Butylhydroquinone, t- C1=CC(O)=CC(C(C)(C)C)=C1O
1.33000 Butylscopolammonium bromide C4=CC(C(C(=O)OC1CC2C3C(C(C1)[N+]2(C)CCCC)O3)CO)=CC=C4
0.02000  Cabergoline C1([H])(C(=O)N(C(=O)NCC)CCCN(C)C)CC2([H])C([H])(N(CC=C)C1)CC4C3=C2C=CC=C3NC=4
10.00000 Caffeine N1(C)C(=O)N(C)C2=C(C1=O)N(C)C=N2
0.00333 Calcifediol C2CC(=CC=C1C(=C)CCC(O)C1)C3C(C)(C2)C(C(C)CCCC(C)(C)O)CC3
0.00005 Calcitriol C3C(O)CC(=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(C)O)C(=C)C3O
5.00000 Calusterone C1C(=O)C=C2C(C)(C1)C3C(C(C)C2)C4C(C)(CC3)C(O)(C)CC4
33.30000 Canadine C1=C(OC)C(OC)=C2C(=C1)CC3N(C2)CCC4=C3C=C5C(=C4)OCO5
0.26700 Candesartan C2=CC(C(=O)OC(C)OC(=O)OC1CCCCC1)=C6C(=C2)N=C(OCC)N6CC5=CC=C(C4=C(C3NN=NN=3)C=CC=C4)C=C5
13.30000 Canrenoate C1C(=O)C=C2C(C)(C1)C3C(C=C2)C4C(C)(CC3)C(O)(CCC(O)=O)CC4
25.00000 Canthaxanthin C2CC(=O)C(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)(C)CCC(=O)C=1C)C2(C)C
6.67000 Capuride CCC(C)C(C(=O)NC(N)=O)CC
5.00000 Caramiphen C2=CC=CC=C2C1(C(=O)OCCN(CC)CC)CCCC1
0.06670 Carbachol NC(=O)OCC[N+](C)(C)C
26.70000 Carbamazepine C1=CC=C2C(=C1)N(C(N)=O)C3=C(C=C2)C=CC=C3
3.00000 Carbazochrome C1(=O)C(=NNC(N)=O)C=C2C(=C1)N(C)C(S(O)(=O)=O)C2
5.00000 Carbenoxolone C1C(OC(=O)CCC(O)=O)C(C)(C)C2C(C)(C1)C3C(C)(CC2)C4(C)C(=CC3=O)C5C(C)(CC4)CCC(C)(C(O)=O)C5
2.00000 Carbetapentane C2=CC=CC=C2C1(C(=O)OCCOCCN(CC)CC)CCCC1
0.83300 Carbidopa C(C)(C(=O)O)(CC1=CC(O)=C(O)C=C1)NN
1.00000 Carbimazole C1(=S)N(C)C=CN1C(=O)OCC
0.40000 Carbinoxamine C2=CC=C(C(OCCN(C)C)C1=CC=C(Cl)C=C1)N=C2
37.50000 Carbocysteine OC(=O)CSCC(N)C(O)=O
0.20000 Carboprost C1(O)CC(O)C(CC=CCCCC(O)=O)C1C=CC(C)(O)CCCCC
16.70000 Carbromal C(C)C(Br)(CC)C(=O)NC(N)=O
16.70000 Carbutamide C1=C(N)C=CC(S(=O)(=O)NC(=O)NCCCC)=C1
0.67600 Carminomycin C1=CC(O)=C2C(=C1)C(=O)C3=C(C2=O)C(O)=C5C(=C3O)CC(O)(C(C)=O)CC5OC4OC(C)C(O)C(N)C4
0.08330 Carmustine N(C(=O)NCCCl)(N=O)CCCl
16.70000 Carnitine C[N+](C)(C)CC(O)CC(O)=O
6.67000 Carphenazine C1=CC=C3C(=C1)N(CCCN2CCN(CCO)CC2)C4=C(S3)C=CC(C(=O)CC)=C4
0.16700 Carteolol C1=CC(OCC(O)CNC(C)(C)C)=C2C(=C1)NC(=O)CC2
0.41700 Carvedilol C1C=CC2=C(C=1)C4=C(N2)C=CC=C4OCC(O)CNCCOC3=C(OC)C=CC=C3
25.00000 Cefaclor C3=CC=C(C(N)C(=O)NC1C(=O)N2C1SCC(Cl)=C2C(=O)O)C=C3
16.70000 Cefadroxil C3(O)=CC=C(C(N)C(=O)NC1C(=O)N2C1SCC(C)=C2C(=O)O)C=C3
100.00000 Cefamandole C4=CC=C(C(O)C(=O)NC1C(=O)N3C1SCC(CSC2N(C)N=NN=2)=C3C(=O)O)C=C4
100.00000 Cefamandole nafate C4=CC=C(C(C(=O)NC1C(=O)N3C1SCC(CSC2N(C)N=NN=2)=C3C(=O)O)OC=O)C=C4
16.70000 Cefatrizine C4=C(O)C=CC(C(N)C(=O)NC1C(=O)N3C1SCC(CSC2=CNN=N2)=C3C(=O)O)=C4
66.70000 Cefazolin C(C(=O)NC1C(=O)N3C1SCC(CSC2=NN=C(C)S2)=C3C(=O)O)N4C=NN=N4
13.30000 Cefixime C(C(=O)NC1C(=O)N2C1SCC(C=C)=C2C(=O)O)(C3N=C(N)SC=3)=NOCC(=O)O
66.70000 Cefmenoxime N4=C(N)SC=C4C(C(=O)NC1C(=O)N3C1SCC(CSC2=NN=NN2C)=C3C(O)=O)=NOC
100.00000 Cefmetazole C(C(=O)NC1(OC)C(=O)N3C1SCC(CSC2=NN=NN2C)=C3C(=O)O)SCC#N
33.30000 Cefodizime C2(NC(=O)C(=NOC)C1=CSC(N)=N1)C(=O)N4C2SCC(CSC3SC(CC(O)=O)=C(C)N=3)=C4C(O)=O
16.70000 Cefonicid C(O)(C(=O)NC1C(=O)N3C1SCC(CSC2=NN=NN2CS(O)(=O)=O)=C3C(=O)O)C4=CC=CC=C4
200.00000 Cefoperazone C(C(=O)NC1C(=O)N3C1SCC(CSC2=NN=NN2C)=C3C(=O)O)(C4=CC=C(O)C=C4)NC(=O)N5CCN(CC)C(=O)C5=O
33.30000 Ceforanide C(C(=O)NC1C(=O)N3C1SCC(CSC2=NN=NN2CC(O)=O)=C3C(O)=O)C4=C(CN)C=CC=C4
200.00000 Cefotaxime C(C(=O)NC1C(=O)N2C1SCC(COC(C)=O)=C2C(=O)O)(=NOC)C3N=C(N)SC=3
66.70000 Cefotetan C(=O)(NC1(OC)C(=O)N3C1SCC(CSC2=NN=NN2C)=C3C(=O)O)C4SC(=C(C(=O)N)C(O)=O)S4
100.00000 Cefotiam C2(NC(=O)CC1=CSC(N)=N1)C(=O)N4C2SCC(CSC3=NN=NN3CCN(C)C)=C4C(O)=O
200.00000 Cefoxitin C(=O)(NC1(OC)C(=O)N2C1SCC(COC(N)=O)=C2C(=O)O)CC3=CC=CS3
10.00000 Cefpodoxime C(=O)(NC1C(=O)N2C1SCC(COC)=C2C(O)=O)C(C3N=C(N)SC=3)=NOC
10.00000 Cefpodoxime proxetil C(=O)(NC1C(=O)N2C1SCC(COC)=C2C(=O)OC(C)OC(=O)OC(C)C)C(C3N=C(N)SC=3)=NOC
16.70000 Cefprozil C(=O)(NC1C(=O)N2C1SCC(C=CC)=C2C(O)=O)C(N)C3=CC=C(O)C=C3
33.30000 Cefroxadine C2(NC(=O)C(N)C1C=CCC=C1)C(=O)N3C2SCC(OC)=C3C(O)=O
100.00000 Cefsulodin C(C(=O)NC1C(=O)N3C1SCC(C[N+]2=CC=C(C(N)=O)C=C2)=C3C(O)=O)(C4=CC=CC=C4)S(O)(=O)=O
133.00000 Ceftazidime C(=O)(NC1C(=O)N3C1SCC(C[N+]2=CC=CC=C2)=C3C(O)=O)C(=NOC(C)(C)C(=O)O)C4N=C(N)SC=4
66.70000 Ceftezole C2(NC(=O)CN1C=NN=N1)C(=O)N4C2SCC(CSC3SC=NN=3)=C4C(O)=O
100.00000 Ceftizoxime C(=O)(NC1C(=O)N2C1SCC=C2C(O)=O)C(=NOC)C3NC(=N)SC=3
66.70000 Ceftriaxone C(=O)(NC1C(=O)N3C1SCC(CSC2N(C)NC(=O)C(=O)N=2)=C3C(O)=O)C(=NOC)C4N=C(N)SC=4
16.70000 Cefuroxime C(=O)(NC1C(=O)N2C1SCC(COC(N)=O)=C2C(O)=O)C(C3=CC=CO3)=NOC
16.70000 Cefuroxime axetil C(=O)(NC1C(=O)N2C1SCC(COC(N)=O)=C2C(=O)OC(C)OC(C)=O)C(C3=CC=CO3)=NOC
16.70000 Cefuroxime pivoxetil C(=O)(NC1C(=O)N2C1SCC(COC(N)=O)=C2C(=O)OC(C)OC(=O)C(C)(C)OC)C(C3=CC=CO3)=NOC
6.67000 Celecoxib C3(S(N)(=O)=O)=CC=C(N2N=C(C(F)(F)F)C=C2C1=CC=C(C)C=C1)C=C3
6.67000 Celiprolol C1=C(OCC(O)CNC(C)(C)C)C(C(=O)C)=CC(NC(=O)N(CC)CC)=C1
100.00000 Cephacetrile S1CC(COC(C)=O)=C(C(O)=O)N2C1C(NC(=O)CC#N)C2=O
66.70000 Cephalexin C(=O)(NC1C(=O)N2C1SCC(C)=C2C(O)=O)C(N)C3=CC=CC=C3
33.30000 Cephaloglycin C(N)(C(=O)NC1C(=O)N2C1SCC(COC(C)=O)=C2C(O)=O)C3=CC=CC=C3
66.70000 Cephaloridine C(C(=O)NC1C(=O)N3C1SCC(C[N+]2=CC=CC=C2)=C3C(O)=O)C4=CC=CS4
100.00000 Cephalothin C(C(=O)NC1C(=O)N2C1SCC(COC(C)=O)=C2C(O)=O)C3=CC=CS3
100.00000 Cephapirin C(C(=O)NC1C(=O)N2C1SCC(COC(C)=O)=C2C(O)=O)SC3=CC=NC=C3
66.70000 Cephradine S1CC(C)=C(C(O)=O)N3C1C(NC(=O)C(N)C2C=CCC=C2)C3=O
0.00500 Cerivastatin C2(C1=CC=C(F)C=C1)=C(COC)C(C(C)C)=NC(C(C)C)=C2C=CC(O)CC(O)CC(O)=O
16.80000 Cetirizine C(C1=CC=C(Cl)C=C1)(C2=CC=CC=C2)N3CCN(CCOCC(O)=O)CC3
3.00000 Cevimeline C1CN2CC3(C1CC2)OC(C)SC3
1.67000 Chlophedianol C2=CC=C(C(O)(CCN(C)C)C1=CC=CC=C1Cl)C=C2
8.33000 Chloralose-alpha C1(O)C(C(O)CO)OC2C1OC(C(Cl)(Cl)Cl)O2
0.20000 Chlorambucil C(=O)(O)CCCC1=CC=C(N(CCCl)CCCl)C=C1
100.00000 Chloramphenicol C1=C(N(=O)=O)C=CC(C(O)C(NC(=O)C(Cl)Cl)CO)=C1
1.67000 Chlordiazepoxide C1=C(Cl)C=C3C(=C1)N=C(NC)CN(=O)=C3C2=CC=CC=C2
3.33000 Chlorguanide C1=C(Cl)C=CC(NC(=N)NC(=N)NC(C)C)=C1
26.70000 Chlorhexadol C(O)(C(Cl)(Cl)Cl)OC(C)CC(C)(O)C
0.03330 Chlormadinone C1C(=O)C=C2C(C)(C1)C3C(C=C2Cl)C4C(C)(CC3)C(O)(C(C)=O)CC4
0.03330 Chlormadinone acetate C1C(=O)C=C2C(C)(C1)C3C(C=C2Cl)C4C(C)(CC3)C(C(C)=O)(OC(C)=O)CC4
6.67000 Chlormezanone C2CC(=O)N(C)C(C1=CC=C(Cl)C=C1)S2(=O)=O
8.33000 Chloroprocaine C1=C(N)C=C(Cl)C(C(=O)OCCN(CC)CC)=C1
33.30000 Chlorothiazide C1(S(=O)(N)=O)=C(Cl)C=C2C(=C1)S(O)(O)NC=N2
66.70000 Chloroxine C1(Cl)=CC(Cl)=C2C(=C1O)N=CC=C2
4.05000 Chlorozotocin N(C(=O)N(CCCl)N=O)C(C(O)C(O)C(O)CO)C=O
40.00000 Chlorphenesin carbamate C1=C(Cl)C=CC(OCC(O)COC(N)=O)=C1
0.13300 Chlorpheniramine C2=CC(C(CCN(C)C)C1=CC=C(Cl)C=C1)=NC=C2
37.50000 Chlorphenoxamide C2(Cl)=CC=C(C(C)(OCCN(C)C)C1=CC=CC=C1)C=C2
1.08000 Chlorphentermine C1=C(Cl)C=CC(CC(C)(C)N)=C1
0.33300 Chlorproguanil C1(Cl)=C(Cl)C=CC(NC(=N)NC(=N)NC(C)C)=C1
16.70000 Chlorpromazine C1=CC2=C(C=C1)N(CCCN(C)C)C3=C(S2)C=CC(Cl)=C3
12.50000 Chlorpropamide C1=C(Cl)C=CC(S(=O)(=O)NC(=O)NCCC)=C1
3.33000 Chlorprothixene C1=CC=C2C(=C1)C(=CCCN(C)C)C3=C(S2)C=CC(Cl)=C3
33.30000 Chlortetracycline C1=CC(O)=C2C(=C1Cl)C(O)(C)C3C(C2=O)=C(O)C4(O)C(C3)C(N(C)C)C(O)=C(C(N)=O)C4=O
0.83300 Chlorthalidone C1=CC=C3C(=C1)C(O)(C2=CC(S(N)(=O)=O)=C(Cl)C=C2)NC3=O
33.30000 Chlorzoxazone C1=C(Cl)C=C2C(=C1)OC(=O)N2
2.00000 CI Acid red 94 C1(I)=C(O)C(I)=C3C(=C1)C(C2=C(C(=O)O)C(Cl)=C(Cl)C(Cl)=C2Cl)=C4C(O3)=C(I)C(=O)C(I)=C4
0.33300 CI Direct Blue 53 C1(S(O)(=O)=O)=CC(S(O)(=O)=O)=C6C(=C1N)C(O)=C(N=NC5=C(C)C=C(C4=CC(C)=C(N=NC2=CC=C3C(=C2O)C(N)=C(S(O)(=O)=O)C=C3S(O)(=O)=O)C=C4)C=C5)C=C6
3.75000 CI Direct Red 28 C1=CC=C6C(=C1)C(N)=C(N=NC5=CC=C(C4=CC=C(N=NC2=CC(S(O)(=O)=O)=C3C(=C2N)C=CC=C3)C=C4)C=C5)C=C6S(O)(=O)=O
8.33000 CI Natural Red 4 C2(C1OC(CO)C(O)C(O)C1O)=C(O)C(O)=C3C(=C2O)C(=O)C4=C(C3=O)C=C(O)C(C(O)=O)=C4C
33.30000 Cianidanol C3(O)=C(O)C=C(C1COC2=C(C1O)C(O)=CC(O)=C2)C=C3
6.50000 Cifenline C4=CC=C(C3(C1=CC=CC=C1)C(C2=NCCN2)C3)C=C4
40.00000 Cimetidine C1(CSCCNC(NC)=NC#N)=C(C)NC=N1
3.75000 Cinnarizine C4=CC=CC(C(C1=CC=CC=C1)N3CCN(CC=CC2=CC=CC=C2)CC3)=C4
16.70000 Cinoxacin C1C3=C(C=C2C=1C(=O)C(C(=O)O)=NN2CC)OCO3
1.67000 Ciprofibrate C2C=C(OC(C)(C)C(=O)O)C=CC=2C1C(Cl)(Cl)C1
13.30000 Ciprofloxacin C2(N1CCNCC1)=C(F)C=C4C(=C2)N(C3CC3)C=C(C(=O)O)C4=O
1.33000 Cisapride C3=CC(F)=CC=C3OCCCN2CCC(NC(=O)C1=CC(Cl)=C(N)C=C1OC)C(OC)C2
1.00000 Citalopram C2(C1=CC=C(F)C=C1)(CCCN(C)C)C3=C(CO2)C=C(C#N)C=C3
100.00000 Citric acid C(O)(CC(O)=O)(C(=O)O)CC(=O)O
0.09000 Cladribine N1=C(Cl)N=C3C(=C1N)N=CN3C2CC(O)C(CO)O2
8.33000 Clarithromycin C3(OC1C(O)C(N(C)C)CC(C)O1)C(C)(OC)CC(C)C(=O)C(C)C(O)C(C)(O)C(CC)OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C3C
6.25000 Clavulanic acid C1C(=O)N2C1OC(=CCO)C2C(O)=O
0.02500 Clebopride C3=C(Cl)C(N)=CC(OC)=C3C(=O)NC2CCN(CC1=CC=CC=C1)CC2
0.13400 Clemastine C(C)(C1=CC=C(Cl)C=C1)(C2=CC=CC=C2)OCCC3([H])N(C)CCC3
0.00100 Clenbuterol C1(Cl)=C(N)C(Cl)=CC(C(O)CNC(C)(C)C)=C1
0.75000 Clidanac C3(Cl)C=C1C(CCC1C(=O)O)=CC=3C2CCCCC2
0.33300 Clidinium bromide C4=CC=C(C(O)(C(=O)OC1C[N+]2(C)CCC1CC2)C3=CC=CC=C3)C=C4
30.00000 Clindamycin C2C(CCC)CN(C)C2C(=O)NC(C1C(O)C(O)C(O)C(SC)O1)C(Cl)C
25.00000 Clioquinol C1(I)=CC(Cl)=C2C(=C1O)N=CC=C2
4.00000 Clobutinol C1=C(Cl)C=CC(CC(C)(O)C(C)CN(C)C)=C1
3.33000 Clofazimine C1=CC=C3C(=C1)N(C2=CC=C(Cl)C=C2)C5C(=N3)C=C(NC4=CC=C(Cl)C=C4)C(=NC(C)C)C=5
33.30000 Clofibrate C1=C(Cl)C=CC(OC(C)(C)C(=O)OCC)=C1
45.00000 Clofibride C1=C(Cl)C=CC(OC(C)(C)C(=O)OCCCC(=O)N(C)C)=C1
6.40000 Clomethiazole S1C=NC(C)=C1CCCl
1.67000 Clomiphene C3=CC=CC(C(Cl)=C(C1=CC=CC=C1)C2=CC=C(OCCN(CC)CC)C=C2)=C3
4.17000 Clomipramine N2(CCCN(C)C)C1=CC(Cl)=CC=C1CCC3=C2C=CC=C3
0.13300 Clonazepam N2=C(C1=CC=CC=C1Cl)C3=C(NC(=O)C2)C=CC(N(=O)=O)=C3
0.04000 Clonidine C2=CC=C(Cl)C(N=C1NCCN1)=C2Cl
1.00000 Clopamide C2=C(Cl)C(S(=O)(=O)N)=CC(C(=O)NN1C(C)CCCC1C)=C2
1.25000 Clopidogrel N3(C([H])(C1C(Cl)=CC=CC=1)C(=O)OC)CC2=C(SC=C2)CC3
0.20800 Cloprednol C1C(=O)C=C2C(C)(C=1)C3C(C=C2Cl)C4C(C)(CC3O)C(O)(C(=O)CO)CC4
0.83300 Clortermine C1=CC=C(Cl)C(CC(C)(C)N)=C1
0.25000 Clothiapine S2C4=C(N=C(N1CCN(C)CC1)C3=C2C=CC(Cl)=C3)C=CC=C4
1.00000 Clotiazepam N2=C(C1=CC=CC=C1Cl)C3=C(N(C)C(=O)C2)SC(CC)=C3
33.30000 Cloxacillin C4=CC=C(Cl)C(C3=NOC(C)=C3C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O)=C4
0.20000 Cloxazolam C1=C(Cl)C=C3C(=C1)NC(=O)CN4COCC34C2=CC=CC=C2Cl
15.00000 Clozapine C1(Cl)=CC=C3C(=C1)N=C(N2CCN(C)CC2)C4=C(N3)C=CC=C4
6.00000 Codeine C125C3C4OC1C(O)C=CC2([H])C([H])(CC=3C=CC=4OC)N(C)CC5
5.00000 Cortisone C1C(=O)C=C2C(C)(C1)C3C(CC2)C4C(C)(CC3=O)C(O)(C(=O)CO)CC4
5.00000 Cortisone acetate C1C(=O)C=C2C(C)(C1)C3C(CC2)C4C(C)(CC3=O)C(O)(C(=O)COC(=O)C)CC4
1.67000 Coumarin C1=CC=C2C(=C1)OC(=O)C=C2
13.30000 Cromolyn C1(=O)C4=C(OC(C(=O)O)=C1)C=CC=C4OCC(O)COC3C2C(=O)C=C(C(=O)O)OC=2C=CC=3
33.30000 Cyclacillin C2(NC(=O)C1(N)CCCCC1)C(=O)N3C2SC(C)(C)C3C(O)=O
26.70000 Cyclandelate C2C(C)(C)CC(OC(=O)C(O)C1=CC=CC=C1)CC2C
0.06670 Cyclazocine C23(C)C4=C(C(CN(CC1CC1)CC2)C3C)C=CC(O)=C4
3.33000 Cyclizine C3N(C(C1=CC=CC=C1)C2=CC=CC=C2)CCN(C)C3
6.67000 Cyclobarbital C2(=O)NC(=O)C(C1=CCCCC1)(CC)C(=O)N2
6.67000 Cyclofenil C3=C(OC(=O)C)C=CC(C(=C1CCCCC1)C2=CC=C(OC(C)=O)C=C2)=C3
0.33300 Cycloguanil C2=CC(N1C(N)=NC(N)=NC1(C)C)=CC=C2Cl
0.02500 Cyclopenthiazide C1(S(N)(=O)=O)=C(Cl)C=C3C(=C1)S(=O)(=O)NC(CC2CCCC2)N3
5.00000 Cyclophosphamide P1(=O)(N(CCCl)CCCl)NCCCO1
16.70000 Cycloserine C1ONC(=O)C1N
0.10000 Cyclothiazide C1(S(N)(=O)=O)=C(Cl)C=C4C(=C1)S(=O)(=O)NC(C2C3C=CC(C2)C3)N4
0.50000 Cyproheptadine C2=CC4=C(C(=C1CCN(C)CC1)C3=C2C=CC=C3)C=CC=C4
5.00000 Cyproterone C4(=O)C=C1C(C)(C2C(C=C1Cl)C3C(C)(CC2)C(O)(C(=O)C)CC3)C5C4C5
5.00000 Cyproterone acetate C4(=O)C=C1C(C)(C2C(C=C1Cl)C3C(C)(CC2)C(C(=O)C)(OC(=O)C)CC3)C5C4C5
33.30000 Cysteamine SCCN
100.00000 Cysteine SCC(N)C(O)=O
2.70000 Cytarabine N2C(=O)N(C1C(O)C(O)C(CO)O1)C=CC=2N
4.50000  Dacarbazine C1(C(=O)N)=C(N=NN(C)C)NC=N1
0.01500 Dactinomycin C3(=O)C(N)=C(C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2N(C(=O)C(C)NC1=O)CCC2)C4C(=C3C)OC5C(N=4)=CC=CC=5C
13.30000 Danazol C1=C3C(C)(CC2=C1ON=C2)C4C(CC3)C5C(C)(CC4)C(O)(C#C)CC5
6.67000 Dantrolene C3(N(=O)=O)=CC=C(C2OC(C=NN1C(=O)NC(=O)C1)=CC=2)C=C3
5.00000 Dapsone C2=C(N)C=CC(S(=O)(=O)C1=CC=C(N)C=C1)=C2
1.08000 Daunorubicin C13C(C(=O)C2=C(C1=O)C=CC=C2OC)=C(O)C5=C(C=3O)CC(O)(C(=O)C)CC5OC4OC(C)C(O)C(N)C4
15.00000 Deanol OCCN(C)C
5.00000 Debrisoquin C1=CC=C2C(=C1)CN(C(N)=N)CC2
0.04170 Decamethonium bromide C[N+](C)(C)CCCCCCCCC[N+](C)(C)C
100.00000 Deferoxamine NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O
37.50000 Dehydrocholic acid C1C(=O)CC2C(C)(C1)C3C(C(=O)C2)C4C(C)(C(=O)C3)C(C(C)CCC(O)=O)CC4
3.33000 Dehydroepiandrosterone C1C(O)CC2C(C)(C1)C3C(CC=2)C4C(C)(CC3)C(=O)CC4
3.33000 Dehydroepiandrosterone acetate C1C(OC(=O)C)CC2C(C)(C1)C3C(CC=2)C4C(C)(CC3)C(=O)CC4
2.50000 Deladroxone C1C(=O)C=C2C(C)(C1)C3C(CC2)C4C(C)(CC3)C6(C(=O)C)C(C4)OC(C)(C5=CC=CC=C5)O6
6.67000 Delavirdine C1=C(NS(=O)(C)=O)C=C4C(=C1)NC(C(=O)N3CCN(C2=NC=CC=C2NC(C)C)CC3)=C4
15.00000 Demeclocycline C14([H])C(O)(C(O)=C2C([H])(C1)C(O)([H])C3=C(C2=O)C(O)=CC=C3Cl)C(=O)C(C(N)=O)=C(O)C4([H])N(C)C
1.67000 Deoxycorticosterone acetate C34([H])C1([H])C([H])(C2(C)C(CC1)=CC(=O)CC2)CCC3(C)C([H])(C(=O)COC(C)=O)CC4
0.01670 Deserpidine C1=CC=C2C(=C1)C3=C(N2)C4N(CC3)CC6C(C4)C(C(=O)OC)C(OC)C(OC(=O)C5=CC(OC)=C(OC)C(OC)=C5)C6
5.00000 Desipramine N1(CCCNC)C3=C(CCC2=C1C=CC=C2)C=CC=C3
0.00008 Deslanoside C5C(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2)C(O)C3)C(O)C4)CC6C(C)(C5)C7C(CC6)C9(O)C(C)(C(O)C7)C(C8COC(=O)C=8)CC9
0.00250 Desogestrel C1CC=C2C(C1)C3C(CC2)C4C(CC)(CC3=C)C(O)(C#C)CC4
0.15000 Dexamethasone C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(O)(C(=O)CO)C(C)C4
0.15000 Dexamethasone acefurate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C5C(C)(CC3O)C(C(=O)COC(C)=O)(OC(=O)C4OC=CC=4)C(C)C5
0.15000 Dexamethasone acetate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(O)(C(=O)COC(C)=O)C(C)C4
0.15000 Dexamethasone dipropionate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(C(=O)COC(=O)CC)(OC(=O)CC)C(C)C4
0.15000 Dexamethasone palmitate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(O)(C(=O)COC(=O)CCCCCCCCCCCCCCC)C(C)C4
0.15000 Dexamethasone valerate C1C(=O)C=C2C(C)(C=1)C3(F)C(CC2)C4C(C)(CC3O)C(O)(C(=O)COC(=O)CCCC)C(C)C4
0.80000 Dexbrompheniramine C2(Br)=CC=C(C(CCN(C)C)C1=NC=CC=C1)C=C2
8.33000 Dexpanthenol C(C)(C)(C(O)C(=O)NCCCO)CO
1.00000 Dextroamphetamine C1=CC=CC(CC(N)C)=C1
2.00000 Dextromethorphan C1CCCC24C1C(CC3=C2C=C(OC)C=C3)N(C)CC4
0.33300 Dextromoramide C(C(=O)N1CCCC1)(C(C)CN2CCOCC2)(C3=CC=CC=C3)C4=CC=CC=C4
100.00000 Dextrose C1(OC)C(O)C(O)C(O)C(O)O1
0.16700 Dezocine C1=C(O)C=CC2=C1C3(C)CCCCCC(C2)C3N
484.00000 Diatrizoate C1(I)=C(NC(C)=O)C=C(NC(C)=O)C(I)=C1C(O)=O
0.66700 Diazepam C1=C(Cl)C=C3C(=C1)N(C)C(=O)CN=C3C2=CC=CC=C2
8.00000 Diazoxide C1(Cl)=CC=C2C(=C1)S(=O)(=O)NC(C)=N2
3.00000 Dibekacin C3(CN)CCC(N)C(OC2C(N)CC(N)C(OC1C(O)C(N)C(O)C(CO)O1)C2O)O3
12.00000 Dibenzepin C1=CC=C2C(=C1)N(CCN(C)C)C(=O)C3=C(N2C)C=CC=C3
4.87000 Dibromodulcitol C(O)(C(O)C(O)CBr)C(O)CBr
4.17000 Dibromomannitol C(O)(C(O)C(O)CBr)C(O)CBr
32.50000 Dichloralphenazone C2=CC=CC(N1C(=O)C=C(C)N1C)=C2
32.50000 Dichloralphenazone C(Cl)(Cl)(Cl)C(O)O
66.70000 Dichloroacetic acid ClC(Cl)C(O)=O
100.00000 Dichlorophen C2=C(Cl)C=C(CC1=CC(Cl)=CC=C1O)C(O)=C2
3.33000 Dichlorphenamide C1(S(N)(=O)=O)=CC(Cl)=C(Cl)C(S(N)(=O)=O)=C1
3.75000 Diclofenac C2(CC(O)=O)=CC=CC=C2NC1=C(Cl)C=CC=C1Cl
16.70000 Dicloxacillin C4=CC=C(Cl)C(C3=NOC(C)=C3C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O)=C4Cl
5.00000 Dicumarol C1=CC=C4C(=C1)OC(=O)C(CC2=C(O)C3=C(OC2=O)C=CC=C3)=C4O
1.33000 Dicyclomine C2(C(=O)OCCN(CC)CC)(C1CCCCC1)CCCCC2
6.67000 Didanosine C3(N1C=NC2=C1N=CNC2=O)CCC(CO)O3
6.00000 Diethylcarbamazine C1CN(C)CCN1C(=O)N(CC)CC
1.25000 Diethylpropion C1=CC=CC(C(=O)C(C)N(CC)CC)=C1
10.00000 Diethylstilbestrol C(=C(C1=CC=C(O)C=C1)CC)(C2C=CC(O)=CC=2)CC
0.13300 Difenoxin C4(C(=O)O)(C1=CC=CC=C1)CCN(CCC(C#N)(C2C=CC=CC=2)C3C=CC=CC=3)CC4
25.00000 Diflunisal C2(C(=O)O)C=C(C1=C(F)C=C(F)C=C1)C=CC=2O
0.00002 Digitoxin C4C(OC3OC(C)C(OC2OC(C)C(OC1OC(C)C(O)C(O)C1)CC2O)C(O)C3)CC5C(C)(C4)C6C(CC5)C8(O)C(C)(CC6)C(C7COC(=O)C=7)CC8
0.00001 Digoxin C4C(OC3OC(C)C(OC2OC(C)C(OC1OC(C)C(O)C(O)C1)C(O)C2)C(O)C3)CC5C(C)(C4)C6C(CC5)C8(O)C(C)(C(O)C6)C(C7COC(=O)C=7)CC8
3.33000 Dihydralazine C1=CC=C2C(=C1)C(=NN)NNC2=NN
3.20000 Dihydrocodeine C125C3=C4OC1C(O)CCC2([H])C(CC3=CC=C4OC)N(C)CC5
16.70000 Dihydrostreptomycin C3(OC1C(NC)C(O)C(O)C(CO)O1)C(OC2C(NC(N)=N)C(O)C(NC(N)=N)C(O)C2O)OC(C)C3(O)CO
0.04170 Dihydrotachysterol C2CC(=CC=C1CC(O)CCC1C)C3C(C)(C2)C(C(C)C=CC(C)C(C)C)CC3
25.00000 Diloxanide C1=C(O)C=CC(N(C)C(O)C(Cl)Cl)=C1
8.00000 Diltiazem C1=CC3=C(C=C1)N(CCN(C)C)C(=O)C(OC(=O)C)C(C2=CC=C(OC)C=C2)S3
10.00000 Dimetacrine C1=CC=C2C(=C1)N(CCCN(C)C)C3=C(C2(C)C)C=CC=C3
0.10000 Dimethindene C1=CC=C3C(=C1)CC(CCN(C)C)=C3C(C)C2=NC=CC=C2
0.58300 Dimethylacetamide CC(=O)N(C)C
0.40000 Dimethyltubocurarine C1CC6C5C([H])([N+]1(C)C)CC2=CC=C(C(OC)=C2)OC3C(OC)=CC4=C(C=3)C([H])(N(C)CC4)CC7=CC=C(OC=5C(OC)=C(OC)C=6)C=C7
5.00000 Diminazene diaceturate C2(C(=N)N)=CC=C(NN=NC1=CC=C(C(N)=N)C=C1)C=C2
5.00000 Diminazene diaceturate OC(=O)CNC(C)=O
0.01250 Dinoprost C1(C=CC(O)CCCCC)C(O)CC(O)C1CC=CCCCC(O)=O
0.02500 Dinoprostone C1(C=CC(O)CCCCC)C(O)CC(=O)C1CC=CCCCC(O)=O
13.30000 Diphemanil C3=CC=CC(C(C1=CC=CC=C1)=C2CC[N+](C)(C)CC2)=C3
0.83300 Diphenhydramine C2=CC(C(C1=CC=CC=C1)OCCN(C)C)=CC=C2
5.00000 Diphenidol C3=CC=C(C(O)(CCCN1CCCCC1)C2=CC=CC=C2)C=C3
0.33300 Diphenoxylate C4=CC=CC(C3(C(=O)OCC)CCN(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)CC3)=C4
0.33300 Diphenylpyraline C3N(C)CCC(OC(C1=CC=CC=C1)C2=CC=CC=C2)C3
8.33000 Disulfiram CCN(C(=S)SSC(=S)N(CC)CC)CC
20.00000 Ditazole N3C(C1=CC=CC=C1)=C(C2=CC=CC=C2)OC=3N(CCO)CCO
3.33000 Dithiazanine iodide C1=CC=C4C(=C1)SC(=CC=CC=CC2SC3=C([N+]=2CC)C=CC=C3)N4CC
10.00000 Ditiocarb C(C)N(C(S)=S)CC
33.30000 Diuron C1=C(Cl)C(Cl)=CC(NC(=O)N(C)C)=C1
0.04000 Dobutamine C2(O)=C(O)C=CC(CCNC(C)CCC1=CC=C(O)C=C1)=C2
5.00000 Docusate C(CC(=O)OCC(CC)CCCCC)(C(=O)OCC(CCCC)CC)S(O)(=O)=O
1.00000 Dorzolamide C1(C)CC(NCC)C2=C(S1(=O)=O)SC(S(=O)(N)=O)=C2
2.50000 Dothiepin C1=CC=C2C(=C1)C(=CCCN(C)C)C3=C(SC2)C=CC=C3
0.05000 Doxacurium chloride C1(OC)=C(OC)C(OC)=C6C(=C1)CC[N+](C)(CCCOC(=O)CCC(=O)OCCC[N+]3(C)C(CC2=CC(OC)=C(OC)C(OC)=C2)C4=C(CC3)C=C(OC)C(OC)=C4OC)C6CC5=CC(OC)=C(OC)C(OC)=C5
4.00000 Doxapram C4(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(CC)CC4CCN3CCOCC3
0.26700 Doxazosin C1(OC)=C(OC)C=C5C(=C1)N=C(N4CCN(C(=O)C2OC3=C(OC2)C=CC=C3)CC4)N=C5N
0.33300 Doxefazepam C1=C(Cl)C=C3C(=C1)N(CCO)C(=O)C(O)N=C3C2=CC=CC=C2F
5.00000 Doxepin C1=CC=C2C(=C1)C(=CCCN(C)C)C3=C(CO2)C=CC=C3
20.00000 Doxifluridine C2(F)=CN(C1C(O)C(O)C(C)O1)C(=O)NC2=O
13.30000 Doxofylline N1(C)C(=O)N(C)C3=C(C1=O)N(CC2OCCO2)C=N3
2.43000 Doxorubicin C13C(C(=O)C2=C(C1=O)C=CC=C2OC)=C(O)C5=C(C=3O)CC(O)(C(=O)CO)CC5OC4OC(C)C(O)C(N)C4
0.41700 Doxylamine C2=CC=C(C(C)(C1=NC=CC=C1)OCCN(C)C)C=C2
1.67000 Dromostanolone C1(C)C(=O)CC2C(C)(C1)C3C(CC2)C4C(C)(CC3)C(O)CC4
1.67000 Dromostanolone proprionate C1(C)C(=O)CC2C(C)(C1)C3C(CC2)C4C(C)(CC3)C(OC(=O)CC)CC4
0.27500 Droperidol C1=CC=C4C(=C1)N(C3CCN(CCCC(=O)C2=CC=C(F)C=C2)CC=3)C(=O)N4
0.50000 Dydrogesterone C1C(=O)C=C2C(C)(C1)C3C(C=C2)C4C(C)(CC3)C(C(=O)C)CC4
60.00000 Dyphylline N1(C)C(=O)N(C)C2=C(C1=O)N(CC(O)CO)C=N2
0.16700  Echothiophate [N+](C)(C)(C)CCSP(=O)(OCC)OCC
70.00000 Edetic acid N(CCN(CC(O)=O)CC(O)=O)(CC(O)=O)CC(O)=O
0.70000 Edrophonium chloride C1(O)=CC=CC([N+](C)(C)CC)=C1
400.00000 Eflornithine NCCCC(N)(C(F)F)C(O)=O
1.00000 Emetine N25C([H])(C1=C(C=C(OC)C(OC)=C1)CC2)CC([H])(CC4([H])C3C=C(OC)C(OC)=CC=3CCN4)C([H])(CC)C5
3.33000 Emorfazone N2N(C)C(=O)C(OCC)=C(N1CCOCC1)C=2
0.66700 Enalapril C2=CC=CC(CCC(NC(C)C(=O)N1C(C(O)=O)CCC1)C(=O)OCC)=C2
3.33000 Encainide C3=C(OC)C=CC(C(=O)NC2=CC=C(CCN1C(C)CCCC1)C=C2)=C3
20.00000 Enoxacin C2(F)=C(N1CCNCC1)N=C3C(=C2)C(=O)C(C(O)=O)=CN3CC
1.67000 Ephedrine C1=CC=CC(C(O)C(C)NC)=C1
0.01670 Epinephrine C1C(O)=C(O)C=CC=1C(O)CNC
2.43000 Epirubicin C1=CC(OC)=C2C(=C1)C(=O)C3=C(C2=O)C(O)=C5C(=C3O)CC(O)(C(=O)CO)CC5OC4CC(N)C(O)C(C)O4
0.00001 Epoprostenol C1(O)CC2C(C1C=CC(O)CCCCC)CC(=CCCCC(O)=O)O2
13.30000 Eprosartan N3C=C(C=C(CC1=CC=CS1)C(=O)O)N(CC2=CC=C(C(O)=O)C=C2)C=3CCCC
1.67000 Erythrityl tetranitrate O=N(=O)OCC(C(CON(=O)=O)ON(=O)=O)ON(=O)=O
66.70000 Erythromycin C3(C)C(=O)C(C)CC(C)(O)C(OC1C(O)C(N(C)C)CC(C)O1)C(C)C(OC2OC(C)C(O)C(C)(OC)C2)C(C)C(=O)OC(CC)C(C)(O)C3O
66.70000 Erythromycin acistrate C3(C)C(=O)C(C)CC(C)(O)C(OC1C(OC(C)=O)C(N(C)C)CC(C)O1)C(C)C(OC2OC(C)C(O)C(C)(OC)C2)C(C)C(=O)OC(CC)C(C)(O)C3O
66.70000 Erythromycin ethylsuccinate C3(C)C(=O)C(C)CC(C)(O)C(OC1C(OC(=O)CCC(=O)OCC)C(N(C)C)CC(C)O1)C(C)C(OC2OC(C)C(O)C(C)(OC)C2)C(C)C(=O)OC(CC)C(C)(O)C3O
66.70000 Erythromycin propionate C3(C)C(=O)C(C)CC(C)(O)C(OC1C(OC(=O)CC)C(N(C)C)CC(C)O1)C(C)C(OC2OC(C)C(O)C(C)(OC)C2)C(C)C(=O)OC(CC)C(C)(O)C3O
0.20000 Esmolol C1=C(CCC(=O)OC)C=CC(OCC(O)CNC(C)C)=C1
0.03330 Estazolam C1=C(Cl)C=C3C(=C1)N4C(CN=C3C2=CC=CC=C2)=NN=C4
0.50000 Estradiol C1=C(O)C=C2C(=C1)C3C(CC2)C4C(C)(CC3)C(O)CC4
0.50000 Estradiol benzoate C2=C(OC(=O)C1=CC=CC=C1)C=C3C(=C2)C4C(CC3)C5C(C)(CC4)C(O)CC5
0.50000 Estradiol cypionate C35([H])C1([H])C([H])(C2=C(CC1)C=C(O)C=C2)CCC3(C)C(OC(=O)CCC4CCCC4)CC5
0.50000 Estradiol dipropionate C1=C(OC(=O)CC)C=C2C(=C1)C3C(CC2)C4C(C)(CC3)C(OC(=O)CC)CC4
0.50000 Estradiol enanthate C1=C(O)C=C2C(=C1)C3C(CC2)C4C(C)(CC3)C(OC(=O)CCCCCC)CC4
16.67000 Estradiol mustard C34([H])C2([H])C(C)(C(OC(=O)CC1=CC=C(N(CCCl)CCCl)C=C1)CC2)CCC3([H])C6=C(CC4)C=C(OC(=O)CC5=CC=C(N(CCCl)CCCl)C=C5)C=C6
0.50000 Estradiol undecylate C1=C(O)C=C2C(=C1)C3C(CC2)C4C(C)(CC3)C(OC(=O)CCCCCCCCCC)CC4
0.50000 Estradiol valerate C34([H])C1([H])C([H])(C2=C(CC1)C=C(O)C=C2)CCC3(C)C(OC(=O)CCCC)CC4
0.04670 Estropipate C1=C(OS(O)(=O)=O)C=C2C(=C1)C3C(CC2)C4C(C)(CC3)C(=O)CC4
25.00000 Ethambutol CCC(NCCNC(CC)CO)CO
4.17000 Ethamivan C1(OC)=C(O)C=CC(C(=O)N(CC)CC)=C1
83.30000 Ethanolamine oleate NCCO
10.00000 Ethaverine C1(OCC)=C(OCC)C=C3C(=C1)C(CC2=CC(OCC)=C(OCC)C=C2)=NC=C3
16.70000 Ethchlorvynol C(O)(C=CCl)(C#C)CC
50.00000 Ethebenecid C1(S(=O)(=O)N(CC)CC)=CC=C(C(=O)O)C=C1
66.70000 Ethenzamide C1(C(N)=O)=C(OCC)C=CC=C1
16.70000 Ethinamate C1CCCC(OC(N)=O)(C#C)C1
0.00050 Ethinyl estradiol C1C(O)=CC2=C(C=1)C3C(CC2)C4C(C)(CC3)C(O)(C#C)CC4
16.70000 Ethionamide C1=CC(C(=S)N)=CC(CC)=N1
1.67000 Ethisterone C1C(=O)C=C2C(C)(C1)C3C(CC2)C4C(C)(CC3)C(O)(C#C)CC4
10.00000 Ethoheptazine C2(C1=CC=CC=C1)(C(=O)OCC)CCCN(C)CC2
10.00000 Ethopropazine C1=CC=C2C(=C1)N(CC(C)N(CC)CC)C3=C(S2)C=CC=C3
16.70000 Ethosuximide C1(C)(CC)CC(=O)NC1=O
50.00000 Ethotoin C2(C1C(=O)N(CC)C(=O)N1)=CC=CC=C2
8.33000 Ethoxzolamide C1(OCC)=CC=C2C(=C1)SC(S(N)(=O)=O)=N2
100.00000 Ethyl alcohol CCO
25.00000 Ethylacetate CC(=O)OCC
0.06670 Ethylestrenol C1CC=C2C(C1)C3C(CC2)C4C(C)(CC3)C(O)(CC)CC4
0.01670 Ethynodiol C14(C)C(O)(C#C)CCC1C3C(C2C(=CC(O)CC2)CC3)CC4
0.01670 Ethynodiol diacetate C14(C)C(C#C)(OC(C)=O)CCC1C3C(C2C(=CC(OC(C)=O)CC2)CC3)CC4
6.67000 Etidocaine C1(C)=CC=CC(C)=C1NC(=O)C(N(CCC)CC)CC
20.00000 Etidronic acid C(O)(C)(P(O)(=O)O)P(O)(=O)O
0.83300 Etilefrine C1=CC(O)=CC(C(O)CNCC)=C1
0.06670 Etizolam C2(C1=CC=CC=C1Cl)=NCC4N(C3=C2C=C(CC)S3)C(C)=NN=4
8.33000 Etofylline N1(C)C(=O)N(C)C2=C(C1=O)N(CCO)C=N2
12.50000 Etofylline clofibrate N1(C)C(=O)N(C)C3=C(C1=O)N(CCOC(=O)C(C)(C)OC2=CC=C(Cl)C=C2)C=N3
0.60000 Etomidate N2C=C(C(=O)OCC)N(C(C)C1=CC=CC=C1)C=2
2.50000 Etoperidone C3(=O)N(CC)C(CC)=NN3CCCN2CCN(C1=CC(Cl)=CC=C1)CC2
2.70000 Etoposide C7=C(OC)C(O)=C(OC)C=C7C3C5=C(C(OC1C(O)C(O)C2C(O1)COC(C)O2)C4C3C(=O)OC4)C=C6C(=C5)OCO6
1.50000 Etretinate C1(C)=C(OC)C=C(C)C(C=CC(C)=CC=CC(C)=CC(=O)OCC)=C1C
0.40000 Exemestane C1C(=O)C=C2C(C)(C=1)C3C(CC2=C)C4C(C)(CC3)C(=O)CC4
25.00000  Famciclovir C12N=C(N)N=CC=1N=CN2CCC(COC(=O)C)COC(=O)C
0.66700 Famotidine C1SC(N=C(N)N)=NC=1CSCCC(N)=NS(N)(=O)=O
1.00000 Fazadinium bromide C6=CC(C4N(N=NN2C(C1=CC=CC=C1)=C(C)[N+]3=C2C=CC=C3)C5=[N+](C=4C)C=CC=C5)=CC=C6
60.00000 Felbamate C1=CC=CC=C1C(COC(N)=O)COC(N)=O
0.33300 Felodipine C2(C)=C(C(=O)OCC)C(C1=CC=CC(Cl)=C1Cl)C(C(=O)OC)=C(C)N2
15.00000 Fenbufen C2=CC=CC(C1=CC=C(C(=O)CCC(O)=O)C=C1)=C2
2.00000 Fenfluramine C1=CC=C(C(F)(F)F)C=C1CC(C)NCC
50.00000 Fenoprofen C2(OC1=CC=CC=C1)=CC=CC(C(C)C(=O)O)=C2
0.02670 Fenoterol C2(O)=CC(O)=CC(C(O)CNC(C)CC1=CC=C(O)C=C1)=C2
10.00000 Fenpentadiol C1=C(Cl)C=CC(C(O)(C)CC(C)(O)C)=C1
8.00000 Fenspiride C3=CC=CC(CCN1CCC2(CC1)OC(=O)NC2)=C3
0.00050 Fentanyl C3=CC=CC=C3N(C(=O)CC)C2CCN(CCC1=CC=CC=C1)CC2
15.00000 Fentiazac C3=C(Cl)C=CC(C2=C(C(O)=O)SC(C1=CC=CC=C1)=N2)=C3
12.50000 Feprazone C3(=O)C(CC=C(C)C)C(=O)N(C1=CC=CC=C1)N3C2=CC=CC=C2
0.08330 Finasteride C1C(=O)NC2C(C)(C=1)C3C(CC2)C4C(C)(CC3)C(C(=O)NC(C)(C)C)CC4
13.30000 Flavoxate C2=CC=C4C(=C2C(=O)OCCN1CCCCC1)OC(C3=CC=CC=C3)=C(C)C4=O
5.00000 Flecainide C2=C(OCC(F)(F)F)C=CC(OCC(F)(F)F)=C2C(=O)NCC1CCCCN1
16.70000 Florantyrone C1C=CC3=C2C=1C=CC=C2C4=C3C=CC(C(=O)CCC(O)=O)=C4
66.70000 Floxacillin C4=CC=C(Cl)C(C3C(C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O)=C(C)ON=3)=C4F
0.60000 Floxuridine N2C(=O)N(C1CC(O)C(CO)O1)C=C(F)C2=O
1.67000 Flubendazole C3=C(F)C=CC(C(=O)C1=CC=C2C(=C1)NC(NC(=O)OC)=N2)=C3
150.00000 Flucytosine C1=C(F)C(N)=NC(=O)N1
0.67600 Fludarabine phosphate N1=C(F)N=C3C(=C1N)N=CN3C2C(O)C(O)C(COP(O)(O)=O)O2
0.00167 Fludrocortisone C1C(=O)C=C2C(C)(C1)C3(F)C(CC2)C4C(C)(CC3O)C(O)(C(=O)CO)CC4
0.00167 Fludrocortisone acetate C1C(=O)C=C2C(C)(C1)C3(F)C(CC2)C4C(C)(CC3O)C(O)(C(=O)COC(C)=O)CC4
10.00000 Flufenamic acid C2=CC=CC(NC1=CC(C(F)(F)F)=CC=C1)=C2C(O)=O
0.05000 Flumazenil C1=C(F)C=C2C(=C1)N3C(CN(C)C2=O)=C(C(=O)OCC)N=C3
0.03330 Flunitrazepam N2=C(C1=CC=CC=C1F)C3=C(N(C)C(=O)C2)C=CC(N(=O)=O)=C3
12.00000 Fluorouracil, 5- C1=C(F)C(=O)NC(=O)N1
1.33000 Fluoxetine C2(C(F)(F)F)=CC=C(OC(CCNC)C1=CC=CC=C1)C=C2
0.33300 Fluphenazine C1=CC=C3C(=C1)N(CCCN2CCN(CCO)CC2)C4=C(S3)C=CC(C(F)(F)F)=C4
0.33300 Fluphenazine decanoate C1=CC=C3C(=C1)N(CCCN2CCN(CCOC(=O)CCCCCCCCC)CC2)C4=C(S3)C=CC(C(F)(F)F)=C4
0.33300 Fluphenazine enanthate C1=CC=C3C(=C1)N(CCCN2CCN(CCOC(=O)CCCCC)CC2)C4=C(S3)C=CC(C(F)(F)F)=C4
0.50000 Flurazepam C3=CC(F)=C(C1=NCC(=O)N(CCN(CC)CC)C2=C1C=C(Cl)C=C2)C=C3
0.20000 Flutazolam C1=C(Cl)C=C3C(=C1)N(CCO)C(=O)CN4C3(C2=CC=CC=C2F)OCC4
0.66700 Fluvastatin C2(C=CC(O)CC(O)CC(O)=O)N(C(C)C)C3=C(C=2C1=CC=C(F)C=C1)C=CC=C3
0.01330 Folic acid C1(N)=NC(=O)C3=C(N1)N=CC(CNC2=CC=C(C(=O)NC(CCC(O)=O)C(=O)O)C=C2)=N3
8.00000 Fominoben C3OCCN(C(=O)CN(C)CC2=C(NC(=O)C1=CC=CC=C1)C=CC=C2Cl)C3
1.33000 Fonazine C1=CC=C2C(=C1)N(CC(C)N(C)C)C3=C(S2)C=CC(S(=O)(=O)N(C)C)=C3
2.67000 Formoterol C2(O)=CC=C(C(O)CNC(C)CC1=CC=C(OC)C=C1)C=C2NC=O
120.00000 Foscarnet P(=O)(O)(O)C(O)=O
1.33000 Fosinopril P(=O)(CC(=O)N2CC(C1CCCCC1)CC2C(=O)O)(CCCCC3=CC=CC=C3)OC(OC(=O)CC)C(C)C
0.12500 Frovatriptan C1(C(=O)N)=CC=C2C(=C1)C3=C(N2)CCC(NC)C3
417.00000 Fructose, furanose form C1(O)C(O)C(CO)OC1(O)CO
417.00000 Fructose, pyranose form C1C(O)C(O)C(O)C(O)(CO)O1
10.00000 Furosemide C2(C(O)=O)=CC(S(N)(=O)=O)=C(Cl)C=C2NCC1OC=CC=1
1.67000 Fursultiamine N2=C(C)N=CC(CN(C(C)=C(SSCC1OCCC1)CCO)CO)=C2N
7.50000 Fusaric acid C1=C(CCCC)C=CC(C(O)=O)=N1
25.00000 Fusidic acid C1C(O)C(C)C2C(C)(C1)C3C(C)(CC2)C4(C)C(CC3O)C(=C(C(=O)O)CCC=C(C)C)C(OC(C)=O)C4
20.00000 Gabapentin C(=O)(O)CC1(CN)CCCCC1
100.00000 Galactose C1(CO)C(O)C(O)C(O)C(O)O1
2.00000 Gallamine triethiodide C1=CC=C(OCC[N+](CC)(CC)CC)C(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC
20.00000 Gemfibrozil C1=C(C)C=C(OCCCC(C)(C)C(O)=O)C(C)=C1
3.00000 Gentamicin C1 C3(N)C(OC1C(N)CCC(C(C)NC)O1)C(O)C(OC2C(O)C(NC)C(O)(C)CO2)C(N)C3
3.00000 Gentamicin C1a C3(N)C(OC1C(N)CCC(CN)O1)C(O)C(OC2C(O)C(NC)C(O)(C)CO2)C(N)C3
3.00000 Gentamicin C2 C3(N)C(OC1C(N)CCC(C(C)N)O1)C(O)C(OC2C(O)C(NC)C(O)(C)CO2)C(N)C3
0.04170 Gestrinone C1C(=O)C=C2C(C1)=C3C(CC2)C4C(CC)(C=C3)C(O)(C#C)CC4
5.33000 Gliclazide C1CCC3C1CN(NC(=O)NS(=O)(=O)C2=CC=C(C)C=C2)C3
1.00000 Gliquidone C1(OC)=CC=C4C(=C1)C(=O)N(CCC3=CC=C(S(=O)(=O)NC(=O)NC2CCCCC2)C=C3)C(=O)C4(C)C
0.26700 Glisoxepide C3(C(=O)NCCC2=CC=C(S(=O)(=O)NC(=O)NN1CCCCCC1)C=C2)C=C(C)ON=3
100.00000 Glucosamine C1(CO)C(O)C(O)C(N)C(O)O1
100.00000 Glutamic acid C(=O)(O)C(N)CCC(O)=O
200.00000 Glutamine NC(=O)CCC(N)C(O)=O
5.00000 Glutathione C(N)(CCC(=O)NC(C(=O)NCC(O)=O)CS)C(=O)O
8.33000 Glutethimide C2(=O)CCC(C1=CC=CC=C1)(CC)C(=O)N2
12.50000 Glybuzole N2N=C(C(C)(C)C)SC=2NS(=O)(=O)C1=CC=CC=C1
999.00000 Glycerol OCC(O)CO
66.70000 Glycerophosphoric acid, alpha- C(OP(O)(=O)O)C(O)CO
66.70000 Glycerophosphoric acid, beta- C(OP(O)(=O)O)(CO)CO
100.00000 Glycine NCC(O)=O
33.30000 Glycodiazine C2=CC=CC(S(=O)(=O)NC1=NC=C(OCCOC)C=N1)=C2
0.06670 Glycopyrrolate C(O)(CC(=O)OC1C[N+](C)(C)CC1)(C2=CC=CC=C2)C3CCCC3
0.33300 Gossypol C1(O)=C(O)C(C(C)C)=C4C(=C1C=O)C(O)=C(C2=C(C)C=C3C(=C2O)C(C=O)=C(O)C(O)=C3C(C)C)C(C)=C4
0.01000 Granisetron C34C(C(=O)NC1CC2N(C)C(C1)CCC2)=NN(C)C=3C=CC=C4
12.50000 Griseofulvin C13(C(=O)C2=C(O1)C(Cl)=C(OC)C=C2OC)C(OC)=CC(=O)CC3C
11.20000 Guaiacol C1=CC=CC(OC)=C1O
20.00000 Guaifenesin C1=CC=C(OC)C(OCC(O)CO)=C1
10.40000 Guancydine CCC(C)(C)NC(N)=NC#N
0.83300 Guanethidine C1CCCCCN(CCNC(N)=N)C1
50.00000 Guanidine C(=N)(N)N
2.67000  Halazepam C1=C(Cl)C=C3C(=C1)N(CC(F)(F)F)C(=O)CN=C3C2=CC=CC=C2
25.00000 Halofantrine C(CN(CCCC)CCCC)C(O)C1C3=C(C2=C(C=1)C(Cl)=CC(Cl)=C2)C=C(C(F)(F)F)C=C3
16.70000 Halofenate C2=C(C(F)(F)F)C=CC(OC(C(=O)OCCNC(=O)C)C1=CC=C(Cl)C=C1)=C2
33.30000 Hetacillin C3(N2C(=O)C(C1=CC=CC=C1)NC2(C)C)C4N(C3=O)C(C(O)=O)C(C)(C)S4
8.33000 Hexobarbital C2(=O)C(C)(C1CCCCC=1)C(=O)N=C(O)N2C
1.67000 Hexocyclium C(O)(CN1CC[N+](C)(C)CC1)(C2C=CC=CC=2)C3CCCCC3
16.67000 Hexylresorcinol C1=C(O)C=CC(CCCCCC)=C1O
0.01450 Histamine C1N=CNC=1CCN
100.00000 Histidine C1NC=NC=1CC(N)C(O)=O
0.66700 Homatropine methylbromide C3=CC=CC(C(O)C(=O)OC1CC2[N+](C)(C)C(C1)CC2)=C3
10.00000 Hycanthone C1=CC=C2C(=C1)C(=O)C3=C(S2)C(CO)=CC=C3NCCN(CC)CC
3.33000 Hydralazine C1=CC=C2C(=C1)C(NN)=NN=C2
3.33000 Hydrochlorothiazide C1(S(N)(=O)=O)=C(Cl)C=C2C(=C1)S(=O)(=O)NCN2
0.75000 Hydrocodone C125C3C4OC1C(=O)CCC2([H])C(CC=3C=CC=4OC)N(C)CC5
3.33000 Hydroflumethiazide C1(S(=O)(=O)N)=C(C(F)(F)F)C=C2C(=C1)S(=O)(=O)NCN2
0.40000 Hydromorphone C125C3C4OC1C(=O)CCC2([H])C(CC=3C=CC=4O)N(C)CC5
4.00000 Hydroxyamphetamide C1=C(O)C=CC(CC(N)C)=C1
10.00000 Hydroxychloroquine C1=C(Cl)C=C2C(=C1)C(NC(C)CCCN(CC)CCO)=CC=N2
4.17000 Hydroxystilbamidine C2=C(C(N)=N)C=C(O)C(C=CC1=CC=C(C(N)=N)C=C1)=C2
6.67000 Hydroxyzine C3(Cl)=CC=C(C(C1=CC=CC=C1)N2CCN(CCOCCO)CC2)C=C3
10.00000 Ibopamine C(C)(C)C(=O)OC1=C(OC(=O)C(C)C)C=C(CCNC)C=C1
40.00000 Ibuprofen C1(CC(C)C)=CC=C(C(C)C(O)=O)C=C1
40.00000 Ibuprofen piconol C2(CC(C)C)=CC=C(C(C)C(=O)OCC1=NC=CC=C1)C=C2
4.17000 ICRF-159 C2C(=O)NC(=O)CN2CC(C)N1CC(=O)NC(=O)C1
2.70000 Idarubicin C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(O)=C5C(=C3O)CC(O)(C(C)=O)CC5OC4OC(C)C(O)C(N)C4
66.70000 Imipenem C1(C(O)C)C(=O)N2C1CC(SCCNC=N)=C2C(=O)O
16.70000 Indinavir C5=CN=CC(CN4CC(C(=O)NC(C)(C)C)N(CC(O)CC(C(=O)NC1C(O)CC2=C1C=CC=C2)CC3=CC=CC=C3)CC4)=C5
0.50000 Indocyanine green C1=CC=C2C(=C1)C6=C(C=C2)[N+](CCCCS(O)(=O)=O)=C(C=CC=CC=CC=C3CC4=C(N3CCCCS(O)(=O)=O)C=CC5C4=CC=CC=5)C6(C)C
100.00000 Inositol C1(O)C(O)C(O)C(O)C(O)C1O
66.70000 Inositol niacinate C7(OC(=O)C1=CC=CN=C1)C(OC(=O)C2=CC=CN=C2)C(OC(=O)C3=CC=CN=C3)C(OC(=O)C4=CC=CN=C4)C(OC(=O)C5=CC=CN=C5)C7OC(=O)C6=CC=CN=C6
100.00000 Iocarmic acid C2(I)=C(C(=O)NC)C(I)=C(NC(=O)CCCCC(=O)NC1=C(I)C(C(=O)NC)=C(I)C(C(O)=O)=C1I)C(I)=C2C(O)=O
75.00000 Iocetamic acid CC(CN(C(C)=O)C1=C(I)C=C(I)C(N)=C1I)C(O)=O
100.00000 Iodamide N(C(C)=O)C1=C(I)C(C(O)=O)=C(I)C(CNC(C)=O)=C1I
4.00000 Iodinated Glycerol O1C(CO)COC1CCI
4.00000 Iodinated Glycerol O1C(CO)COC1C(C)I
167.00000 Iodipamide C2(I)=CC(I)=C(NC(=O)CCCCC(=O)NC1=C(I)C(C(=O)O)=C(I)C=C1I)C(I)=C2C(O)=O
100.00000 Iodopyracet C1=C(I)C(=O)C(I)=CN1CC(=O)O
30.00000 Iodoquinol C1(I)=CC(I)=C2C(=C1O)N=CC=C2
5.00000 Iodothiouracil C1(O)=C(I)C=NC(S)=N1
110.00000 Iohexol C1(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C(I)C=1N(C(C)=O)CC(O)CO
100.00000 Iopamidol C1(I)=C(NC(=O)C(C)O)C(I)=C(C(=O)NC(CO)CO)C(I)=C1C(=O)NC(CO)CO
100.00000 Iopanoic acid C1=C(I)C(N)=C(I)C(CC(C(=O)O)CC)=C1I
125.00000 Iophendylate, m- C1(I)=CC=CC(C(C)CCCCCCCCC(=O)OCC)=C1
125.00000 Iophendylate, o- C1=CC=CC(C(C)CCCCCCCCC(=O)OCC)=C1I
125.00000 Iophendylate, p- C1=C(I)C=CC(C(C)CCCCCCCCC(=O)OCC)=C1
100.00000 Iopromide C1(NC(=O)COC)=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)N(C)CC(O)CO)=C1I
100.00000 Iothalamic acid C1(I)=C(NC(C)=O)C(I)=C(C(=O)NC)C(I)=C1C(=O)O
100.00000 Iotrolan C2(I)=C(C(=O)NC(C(O)CO)CO)C(I)=C(N(C)C(=O)CC(=O)N(C)C1=C(I)C(C(=O)NC(C(O)CO)CO)=C(I)C(C(=O)NC(CO)C(O)CO)=C1I)C(I)=C2C(=O)NC(CO)C(O)CO
100.00000 Ioxaglic acid C2(I)=C(C(=O)NCCO)C(I)=C(NC(=O)CNC(=O)C1=C(I)C(N(C)C(C)=O)=C(I)C(C(=O)NC)=C1I)C(I)=C2C(=O)O
100.00000 Ipodic acid C1(N=CN(C)C)=C(I)C=C(I)C(CCC(O)=O)=C1I
2.50000 Iproniazid C1=CC(C(=O)NNC(C)C)=CC=N1
5.00000 Irbesartan C5(CN1C(CCCC)=NC2(C1=O)CCCC2)=CC=C(C4=CC=CC=C4C3NN=NN=3)C=C5
6.67000 Isocaine C1=C(N)C=CC(C(=O)OCC(C)C)=C1
1.00000 Isocarboxazid C2(CNNC(=O)C1C=C(C)ON=1)=CC=CC=C2
5.42000 Isometheptene CC(C)=CCCC(C)NC
10.00000 Isoniazid C1=NC=CC(C(=O)NN)=C1
0.16700 Isopropamide C(C(=O)N)(CC[N+](C)(C(C)C)C(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
0.16700 Isoproterenol C1=C(O)C(O)=CC(C(O)CNC(C)C)=C1
2.00000 Isosorbide mononitrate O1CC(O)C2C1C(ON(=O)=O)CO2
2.00000 Isotretinoin C1(C=CC(C)=CC=CC(C)=CC(=O)O)=C(C)CCCC1(C)C
1.33000 Isoxsuprine C2=C(O)C=CC(C(O)C(C)NC(C)COC1=CC=CC=C1)=C2
0.16700 Isradipine C2C=C(C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC(C)C)C3C(C=2)=NON=3
10.00000 Itraconazole C7=NN(C(C)CC)C(=O)N7C6=CC=C(N5CCN(C4=CC=C(OCC3COC(CN1C=NC=N1)(C2=CC=C(Cl)C=C2Cl)O3)C=C4)CC5)C=C6
0.15000 Ivermectin B1a C17(CC4CC([H])(O1)CC=C(C)C(OC3CC(OC)C(OC2CC(OC)C(O)C(C)O2)C(C)O3)C(C)C=CC=C6C5(O)C(C(=O)O4)C=C(C)C(O)C5([H])OC6)OC(C(C)CC)C(C)CC7
0.15000 Ivermectin B1b C17(CC4CC([H])(O1)CC=C(C)C(OC3CC(OC)C(OC2CC(OC)C(O)C(C)O2)C(C)O3)C(C)C=CC=C6C5(O)C(C(=O)O4)C=C(C)C(O)C5([H])OC6)OC(C(C)C)C(C)CC7
50.00000 Josamycin C3(OC2C(O)C(N(C)C)C(OC1CC(C)(O)C(OC(=O)CC(C)C)C(C)O1)C(C)O2)C(OC)C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC3CC=O
15.00000 Kanamycin A C3(CO)C(O)C(N)C(O)C(OC2C(N)CC(N)C(OC1C(O)C(O)C(O)C(CN)O1)C2O)O3
15.00000 Kanamycin B C3(CO)C(O)C(N)C(O)C(OC2C(N)CC(N)C(OC1C(N)C(O)C(O)C(CN)O1)C2O)O3
15.00000 Kanamycin C C3(CO)C(O)C(N)C(O)C(OC2C(N)CC(N)C(OC1C(N)C(O)C(O)C(CO)O1)C2O)O3
2.00000 Ketamine C2CCCC(NC)(C1=C(Cl)C=CC=C1)C2=O
1.33000 Ketanserin C1=CC=C4C(=C1)NC(=O)N(CCN3CCC(C(=O)C2=CC=C(F)C=C2)CC3)C4=O
2.50000 Ketorolac C3=CC=CC=C3C(=O)C1=CC=C2N1CCC2C(=O)O
0.03330 Ketotifen C1=CC=C3C(=C1)CC(=O)C4=C(C3=C2CCN(C)CC2)C=CS4
40.00000  Labetalol C2=CC=CC(CCC(C)NCC(O)C1=CC=C(O)C(C(N)=O)=C1)=C2
100.00000 Lactic acid C(O)(=O)C(C)O
100.00000 Lactose C2(OC)C(O)C(O)C(O)C(OC1C(O)C(O)C(O)OC1OC)O2
5.00000 Lamivudine N2C(=O)N(C1CSC(CO)O1)C=CC=2N
6.67000 Lamotrigine C2=CC=C(C1=C(N)N=C(N)N=N1)C(Cl)=C2Cl
0.03330 Lanatoside A C9(CO)C(O)C(O)C(O)C(OC8C(OC(C)=O)CC(OC7C(O)CC(OC6C(O)CC(OC1CC2C(C)(CC1)C3C(CC2)C5(O)C(CC3)C(C4OCC(=O)C=4)CC5)OC6C)OC7C)OC8C)O9
0.03330 Lanatoside B C9(CO)C(O)C(O)C(O)C(OC8C(OC(C)=O)CC(OC7C(O)CC(OC6C(O)CC(OC1CC2C(C)(CC1)C3C(CC2)C5(O)C(C)(CC3)C(C4OCC(=O)C=4)C(O)C5)OC6C)OC7C)OC8C)O9
0.03330 Lanatoside C C28(O)C(C)(C(C1=CC(=O)OC1)CC2)C(O)CC9C7(C)C(CC(OC6OC(C)C(OC5OC(C)C(OC4OC(C)C(OC3C(O)C(O)C(O)C(CO)O3)C(OC(=O)C)C4)C(O)C5)C(O)C6)CC7)CCC89
0.03330 Lanatoside D C9(OC8C(C)OC(OC7C(C)OC(OC6C(C)OC(OC5CCC4(C)C3CC(O)C2(C)C(C1=CC(=O)OC1)C(O)CC2(O)C3CCC4C5)CC6O)CC7O)CC8OC(C)=O)OC(CO)C(O)C(O)C9O
0.50000 Lansoprazole C1=CC=C3C(=C1)N=C(S(=O)CC2=NC=CC(OCC(F)(F)F)=C2C)N3
0.33300 Leflunomide C2(C(=O)NC1=CC=C(C(F)(F)F)C=C1)C=NOC=2C
0.04170 Letrozole C3=CC(C#N)=CC=C3C(C1=CC=C(C#N)C=C1)N2N=CN=C2
100.00000 Leucine CC(C)CC(N)C(O)=O
5.41000 Leucovorin C1(N)=NC(=O)C3=C(N1)NCC(CNC2=CC=C(C(=O)NC(C(O)=O)CCC(O)=O)C=C2)N3C=O
0.06670 Levallorphan C1=CC(O)=CC2=C1CC4C3C2(CCCC3)CCN4CC=C
0.83300 Levamisole C3=CC=CC(C1N=C2N(C1)CCS2)=C3
60.00000 Levetiracetam C1CCN(C(C(N)=O)CC)C1=O
49.50000 Levocarnitine C[N+](C)(C)CC(O)CC(=O)O
133.00000 Levodopa C1=C(O)C(O)=CC(CC(N)C(O)=O)=C1
3.00000 Levodropropizine C2=CC=CC(N1CCN(CC(O)CO)CC1)=C2
4.00000 Levomethadyl acetate CCC(OC(=O)C)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
1.67000 Levopropoxyphene C2=CC(C(C(C)CN(C)C)(OC(=O)CC)CC1=CC=CC=C1)=CC=C2
0.15000 Levorphanol C1=CC(O)=CC2=C1CC4C3C2(CCCC3)CCN4C
0.00833 Levothyroxine C2(O)=C(I)C=C(OC1=C(I)C=C(CC(N)C(O)=O)C=C1I)C=C2I
33.30000 Lincomycin C2(C(C(C)O)NC(=O)C1CC(CCC)CN1C)C(O)C(O)C(O)C(SC)O2
0.00167 Liothyronine C2(O)=C(I)C=C(OC1=C(I)C=C(CC(N)C(O)=O)C=C1I)C=C2
0.08330 Lisuride C1C=CC3=C2C=1C4C(CC2=CN3)N(C)CC(NC(=O)N(CC)CC)C=4
16.70000 Lividomycin C5(CO)C(O)C(O)C(O)C(OC4C(O)C(N)C(OC3C(CO)OC(OC2C(O)C(N)CC(N)C2OC1C(N)CC(O)C(CO)O1)C3O)OC4CN)O5
0.16700 Lobeline C3CC(CC(=O)C1=CC=CC=C1)N(C)C(CC(O)C2=CC=CC=C2)C3
3.50000 Lofepramine C1=CC=C3C(=C1)CCC4=C(N3CCCN(C)CC(=O)C2=CC=C(Cl)C=C2)C=CC=C4
0.04000 Lofexidine C2(Cl)=CC=CC(Cl)=C2OC(C)C1=NCCN1
3.51000 Lomustine C1CCC(NC(=O)N(N=O)CCCl)CC1
6.67000 Loracarbef C3=CC=C(C(N)C(=O)NC1C(=O)N2C1CCC(Cl)=C2C(O)=O)C=C3
0.16700 Loratadine C4(=C1C3=C(CCC2=C1C=CC(Cl)=C2)C=CC=N3)CCN(C(=O)OCC)CC4
0.16700 Lorazepam C1=C(Cl)C=C3C(=C1)NC(=O)C(O)N=C3C2=CC=CC=C2Cl
6.67000 Lorcainide C3=CC=CC(CC(=O)N(C1=CC=C(Cl)C=C1)C2CCN(C(C)C)CC2)=C3
1.67000 Losartan N4(CC3C=CC(C2C(C1NN=NN=1)=CC=CC=2)=CC=3)C(CO)=C(Cl)N=C4CCCC
1.33000 Lovastatin C1C(C)C=C3C(C1OC(=O)C(C)CC)C(CCC2OC(=O)CC(O)C2)C(C)C=C3
4.17000 Loxapine C1=CC=C3C(=C1)N=C(N2CCN(C)CC2)C4=C(O3)C=CC(Cl)=C4
33.30000 Lucanthone C1=CC=C2C(=C1)C(=O)C3=C(S2)C(C)=CC=C3NCCN(CC)CC
0.01250 Lysergide C1(C(=O)N(CC)CC)CN(C)C2C(=C1)C4=C3C(C2)=CNC3=CC=C4
100.00000 Lysine C(CCC(N)C(=O)O)CN
100.00000  Maltose C2(CO)C(O)C(O)C(O)C(OC1C(O)C(O)C(O)OC1CO)O2
66.70000 Mandelic acid C1=CC=CC(C(O)C(=O)O)=C1
999.00000 Mannitol, D- C(O)(C(O)C(O)CO)C(O)CO
3.33000 Mannomustine ClCCNCC(O)C(O)C(O)C(O)CNCCCl
0.03330 Mazindol C1=CC=C3C(=C1)C4N(C3(O)C2=CC=C(Cl)C=C2)CCN=4
6.75000 Mebeverine C2=C(OC)C=CC(CC(C)N(CCCCOC(=O)C1=CC(OC)=C(OC)C=C1)CC)=C2
20.00000 Mebutamate NC(=O)OCC(C)(C(C)CC)COC(N)=O
0.41700 Mecamylamine C1CC2C(C)(C)C(C)(NC)C1C2
0.40000 Mechlorethamine N(C)(CCCl)CCCl
1.67000 Meclizine C4=C(Cl)C=CC(C(C1=CC=CC=C1)N3CCN(CC2=CC=CC(C)=C2)CC3)=C4
20.80000 Mefenamic acid C2=CC=CC(NC1=CC=CC(C)=C1C)=C2C(=O)O
100.00000 Meglumine C(O)C(O)C(O)C(O)C(O)CNC
0.08330 Melatonin C1=C(OC)C=C2C(=C1)NC=C2CCNC(C)=O
0.10000 Melphalan C1=C(N(CCCl)CCCl)C=CC(CC(N)C(O)=O)=C1
0.16700 Menadiol C1=CC=C2C(=C1)C(OP(O)(=O)O)=C(C)C=C2OP(O)(=O)O
0.03330 Menadione C1=CC=C2C(=C1)C(=O)C(C)=CC2=O
2.00000 Menichlopholan C2=CC(N(=O)=O)=C(O)C(C1=CC(Cl)=CC(N(=O)=O)=C1O)=C2Cl
2.00000 Menthol, DL- C1CC(C)CC(O)C1C(C)C
16.70000 Meparfynol C#CC(O)(C)CC
3.33000 Mepenzolate C3=CC=C(C(O)(C(=O)OC1C[N+](C)(C)CCC1)C2=CC=CC=C2)C=C3
15.00000 Meperidine C2CC(C(=O)OCC)(C1=CC=CC=C1)CCN2C
50.00000 Mephenesin C1=CC=C(C)C(OCC(O)CO)=C1
20.00000 Mephenoxalone C2=CC=C(OCC1OC(=O)NC1)C(OC)=C2
1.00000 Mephentermine C1=CC=CC(CC(C)(C)NC)=C1
10.00000 Mephenytoin C2=CC=CC(C1(CC)NC(=O)N(C)C1=O)=C2
10.00000 Mephobarbital C2(=O)C(C1=CC=CC=C1)(CC)C(=O)NC(=O)N2C
6.67000 Mepivacaine C2CCCC(C(=O)NC1=C(C)C=CC=C1C)N2C
0.80000 Meprednisone C1C(=O)C=C2C(C)(C=1)C3C(CC2)C4C(C)(CC3=O)C(O)(C(=O)CO)C(C)C4
40.00000 Meprobamate C(=O)(N)OCC(C)(CCC)COC(N)=O
0.16700 Mequitazine C1=CC=C4C(=C1)N(CC2CN3CCC2CC3)C5=C(S4)C=CC=C5
2.50000 Mercaptopurine, 6- N1C=NC2=C(C=1S)NC=N2
4.00000 Mesna SCCS(=O)(=O)O
5.00000 Mesoridazine C1=CC=C3C(=C1)N(CCC2CCCCN2C)C4=C(S3)C=CC(S(=O)C)=C4
0.00083 Mestranol C1C(OC)=CC2=C(C=1)C3C(CC2)C4C(C)(CC3)C(O)(C#C)CC4
3.33000 Metahexamide C2(N)=C(C)C=CC(S(=O)(=O)NC(=O)NC1CCCCC1)=C2
8.33000 Metaraminol C1(O)=CC=CC(C(O)C(C)N)=C1
107.00000 Metaxalone C2(C)=CC(C)=CC(OCC1OC(=O)NC1)=C2
50.00000 Metformin CN(C)C(=N)NC(N)=N
0.41700 Methacholine CC(=O)OC(C)C[N+](C)(C)C
15.00000 Methacycline C1=CC=C2C(=C1O)C(=O)C3C(C2=C)C(O)C4C(O)(C=3O)C(=O)C(C(=O)N)=C(O)C4N(C)C
0.50000 Methadone C(=O)(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)CC
2.33000 Methadyl acetate C2=CC=CC(C(CC(C)N(C)C)(C(CC)OC(=O)C)C1=CC=CC=C1)=C2
0.15000 Methallenestril C1=C(OC)C=C2C(=C1)C=C(C(C(C)(C)C(O)=O)CC)C=C2
0.06670 Methandrostenolone C1C(=O)C=C2C(C)(C=1)C3C(CC2)C4C(C)(CC3)C(C)(O)CC4
6.67000 Methantheline bromide C1=CC=C2C(=C1)C(C(=O)OCC[N+](C)(CC)CC)C3=C(O2)C=CC=C3
6.67000 Methapyrilene C2C=CSC=2CN(CCN(C)C)C1=CC=CC=N1
5.00000 Methaqualone C1=CC=C3C(=C1)N=C(C)N(C2=C(C)C=CC=C2)C3=O
5.00000 Metharbital C1(=O)C(CC)(CC)C(=O)NC(=O)N1C
5.00000 Methazolamide N1N(C)C(=NC(=O)C)SC=1S(=O)(=O)N
0.50000 Methdilazine C1=CC=C3C(=C1)N(CC2CCN(C)C2)C4=C(S3)C=CC=C4
0.01330 Methergine C1=CC3=C2C(=C1)C4C(CC2=CN3)N(C)CC(C(=O)NC(CO)CC)C=4
200.00000 Methicillin C3=CC=C(OC)C(C(=O)NC1C(=O)N2C1SC(C)(C)C2C(O)=O)=C3OC
1.00000 Methimazole C1(=S)N(C)C=CN1
100.00000 Methocarbamol C1(OC)=CC=CC=C1OCC(O)COC(N)=O
2.00000 Methohexital C1(=O)N(C)C(=O)NC(=O)C1(C(C)C#CCC)CC=C
0.50000 Methotrexate N1C(N)=C3C(=NC=1N)N=CC(CN(C)C2=CC=C(C(=O)NC(C(=O)O)CCC(=O)O)C=C2)=N3
3.33000 Methotrimeprazine C1=CC=C2C(=C1)N(CC(C)CN(C)C)C3=C(S2)C=CC(OC)=C3
0.33300 Methoxamine C1(OC)=CC=C(OC)C(C(O)C(C)N)=C1
0.60000 Methoxsalen, 8- C1(=O)C=CC2=C(O1)C(OC)=C3C(=C2)C=CO3
10.00000 Methoxyphenamine C1=CC=C(OC)C(CC(C)NC)=C1
20.00000 Methsuximide C2=CC=CC(C1(C)C(=O)N(C)C(=O)C1)=C2
0.16700 Methyclothiazide C1(S(N)(=O)=O)=C(Cl)C=C2C(=C1)S(=O)(=O)N(C)C(CCl)N2
0.00667 Methyldigoxin C4C(OC3OC(C)C(OC2OC(C)C(OC1OC(C)C(OC)C(O)C1)C(O)C2)C(O)C3)CC5C(C)(C4)C6C(CC5)C8(O)C(C)(C(O)C6)C(C7COC(=O)C=7)CC8
33.30000 Methyldopa C1(O)=C(O)C=CC(CC(C)(N)C(O)=O)=C1
6.50000 Methylene blue C1C(N(C)C)=CC2C(C=1)=NC3=C(S=2)C=C(N(C)C)C=C3
10.00000 Methylparaben C1=C(O)C=CC(C(=O)OC)=C1
6.67000 Methylperone C2C(C)CCN(CCCC(=O)C1=CC=C(F)C=C1)C2
1.00000 Methylphenidate C2=CC=CC(C(C(=O)OC)C1CCCCN1)=C2
4.17000 Methylprednisolone C1C(=O)C=C2C(C)(C=1)C3C(CC2C)C4C(C)(CC3O)C(O)(C(=O)CO)CC4
4.17000 Methylprednisolone aceponate C1C(=O)C=C2C(C)(C=1)C3C(CC2C)C4C(C)(CC3O)C(C(=O)COC(=O)C)(OC(=O)CC)CC4
4.17000 Methylprednisolone acetate C1C(=O)C=C2C(C)(C=1)C3C(CC2C)C4C(C)(CC3O)C(O)(C(=O)COC(=O)C)CC4
4.17000 Methylprednisolone succinate C1C(=O)C=C2C(C)(C=1)C3C(CC2C)C4C(C)(CC3O)C(O)(C(=O)COC(=O)CCC(O)=O)CC4
4.17000 Methylprednisolone suleptanate C1C(=O)C=C2C(C)(C=1)C3C(CC2C)C4C(C)(CC3O)C(O)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS(=O)(=O)O)CC4
10.00000 Methylthiouracil C1(C)=CC(=O)NC(=S)N1
6.67000 Methyprylon C1C(C)C(=O)C(CC)(CC)C(=O)N1
0.10000 Methysergide C1=CC3=C2C(=C1)C4C(CC2=CN3C)N(C)CC(C(=O)NC(CC)CO)C=4
12.50000 Metiazinic acid C1=CC=C2C(=C1)N(C)C3=C(S2)C=CC(CC(O)=O)=C3
6.67000 Metoprolol C1(CCOC)=CC=C(OCC(O)CNC(C)C)C=C1
104.00000 Metrizamide C2(I)=C(C(=O)NC1C(O)OC(CO)C(O)C1O)C(I)=C(N(C)C(C)=O)C(I)=C2NC(C)=O
100.00000 Metrizoic acid C1(I)=C(NC(C)=O)C(I)=C(N(C)C(C)=O)C(I)=C1C(O)=O
33.30000 Metronidazole N1C=C(N(=O)=O)N(CCO)C=1C
75.00000 Metyrapone N2=CC=CC(C(=O)C(C)(C)C1=CN=CC=C1)=C2
66.70000 Metyrosine C1=C(O)C=CC(CC(C)(N)C(O)=O)=C1
267.00000 Mezlocillin C4=CC=C(C(NC(=O)N1C(=O)N(S(=O)(C)=O)CC1)C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)C=C4
1.50000 Mianserin C1=CC=C2C(=C1)C4N(C3=C(C2)C=CC=C3)CCN(C)C4
1.67000 Mibefradil C1=C(F)C=C4C(=C1)C(C(C)C)C(OC(=O)COC)(CCN(C)CCCC2=NC3=C(N2)C=CC=C3)CC4
60.00000 Miconazole C3=C(Cl)C(C(CN1C=NC=C1)OCC2=CC=C(Cl)C=C2Cl)=CC=C3Cl
0.08330 Midazolam C1=C(Cl)C=C3C(=C1)N4C(CN=C3C2=CC=CC=C2F)=CN=C4C
0.25000 Midodrine C1(OC)=CC=C(OC)C(C(O)CNC(=O)CN)=C1
10.00000 Mifepristone C1C(=O)C=C2C(C1)=C4C(CC2)C5C(C)(CC4C3=CC=C(N(C)C)C=C3)C(O)(C#CC)CC5
5.00000 Miglitol C1(CO)C(O)C(O)C(O)CN1CCO
0.05000 Milrinone C2(C)NC(=O)C(C#N)=CC=2C1=CC=NC=C1
0.75000 Mirtazapine C1=CC=C2C(=C1)C4N(C3=C(C2)C=CC=N3)CCN(C)C4
0.01330 Misoprostol C1(C=CCC(O)(C)CCCC)C(O)CC(=O)C1CCCCCCC(=O)OC
0.54100 Mitomycin C C1(N)=C(C)C(=O)C2=C(C1=O)C(COC(N)=O)C3(OC)N2CC4C3N4
0.25000 Mivacurium chloride C6(OC)=CC(CC4C[N+](C)(CCCOC(=O)CCC=CCCC(=O)OCCC[N+]2(C)CCC3=C(C2CC1=CC(OC)=C(OC)C(OC)=C1)C=C(OC)C(OC)=C3)CC5=C4C=C(OC)C(OC)=C5)=CC(OC)=C6OC
3.33000 Modafinil C2=CC=CC(C(S(=O)CC(N)=O)C1=CC=CC=C1)=C2
0.83300 Moexipril N2(C(=O)C(C)NC(C(=O)OCC)CCC1=CC=CC=C1)C(C(=O)O)CC3=C(C2)C=C(OC)C(OC)=C3
5.00000 Mofebutazone C2(=O)C(CCCC)C(=O)N(C1=CC=CC=C1)N2
3.75000 Molindone C2(CN1CCOCC1)CCC3=C(C2=O)C(CC)=C(C)N3
0.01500 Mometasone furoate C1C(=O)C=C2C(C)(C=1)C3(Cl)C(CC2)C5C(C)(CC3O)C(C(=O)CCl)(OC(=O)C4OC=CC=4)C(C)C5
0.16700 Montelukast C1=C(Cl)C=C5C(=C1)C=CC(C=CC4=CC=CC(C(CCC2=C(C(C)(O)C)C=CC=C2)SCC3(CC(O)=O)CC3)=C4)=N5
15.00000 Moricizine C1=CC=C3C(=C1)SC4=C(N3C(=O)CCN2CCOCC2)C=C(NC(=O)OCC)C=C4
1.67000 Morphine C125C3C4OC1C(O)C=CC2([H])C([H])(CC=3C=CC=4O)N(C)CC5
1.00000 Moveltipril C2CCCC(C(=O)NC(C)C(=O)SCC(C)C(=O)N1C(C(O)=O)CCC1)C2
66.70000 Moxalactam C4(O)=CC=C(C(C(=O)O)C(=O)NC1(OC)C(=O)N3C1OCC(CSC2=NN=NN2C)=C3C(O)=O)C=C4
5.33000 Moxisylyte C1=C(OCCN(C)C)C(C(C)C)=CC(OC(C)=O)=C1C
120.00000 Mycophenolate Mofetil C2(C)=C(OC)C(CC=C(C)CCC(=O)OCCN1CCOCC1)=C(O)C3=C2COC3=O
0.10000  Nabilone C1(O)C=C(C(C)(C)CCCCCC)C=C2C=1C3C(C(C)(C)O2)CCC(=O)C3
10.70000 Nadolol C1C=CC(OCC(O)CNC(C)(C)C)=C2C=1CC(O)C(O)C2
100.00000 Nafcillin C1=CC=C4C(=C1)C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(O)=O)=C(OCC)C=C4
10.00000 Nafronyl C1=CC=C3C(=C1)C(CC(C(=O)OCCN(CC)CC)CC2OCCC2)=CC=C3
1.00000 Nalbuphine C126C3C4OC1C(O)CCC2(O)C(CC=3C=CC=4O)N(CC5CCC5)CC6
66.70000 Nalidixic acid C1(C)=CC=C2C(=N1)N(CC)C=C(C(=O)O)C2=O
0.83300 Nalmefene C126C3C4OC1C(=C)CCC2(O)C([H])(CC=3C=CC=4O)N(CC5CC5)CC6
0.66700 Nalorphine C125C3C4OC1C(O)C=CC2([H])C([H])(CC=3C=CC=4O)N(CC=C)CC5
0.10000 Naloxone C125C3C4OC1C(=O)CCC2(O)C([H])(CC=3C=CC=4O)N(CC=C)CC5
3.33000 Nandrolone C1C(=O)C=C2C(C1)C3C(CC2)C4C(C)(CC3)C(O)CC4
3.33000 Nandrolone cycolate C1C(=O)C=C2C(C1)C3C(CC2)C6C(C)(CC3)C(OC(=O)C45CCC(C)(C=C4)CC5)CC6
3.33000 Nandrolone decanoate C34([H])C1([H])C([H])(C2([H])C(CC1)=CC(=O)CC2)CCC3(C)C(OC(=O)CCCCCCCCC)CC4
3.33000 Nandrolone phenpropionate C1C(=O)C=C2C(C1)C3C(CC2)C5C(C)(CC3)C(OC(=O)CCC4=CC=CC=C4)CC5
0.08330 Naratriptan C1=C(CCS(=O)(=O)NC)C=C3C(=C1)NC=C3C2CCN(C)CC2
0.27500 Natamycin C2(C)CC=CC=CC=CC=CC(OC1OC(C)C(O)C(N)C1O)CC4OC(O)(CC(O)CC3C(C=CC(=O)O2)O3)CC(O)C4C(O)=O
0.23300 Nedocromil C1=C(C(=O)O)OC2=C(C1=O)C=C3C(=C2CCC)N(CC)C(C(O)=O)=CC3=O
10.00000 Nefazodone N4(CCOC1=CC=CC=C1)C(=O)N(CCCN3CCN(C2=CC(Cl)=CC=C2)CC3)N=C4CC
100.00000 Neomycin A NC2C(O)C(O)C(OC1([H])OC(CN)C(O)C(O)C1N)C(N)C2
100.00000 Neomycin B C4(OC3([H])C(OC2([H])C(O)C(OC1([H])C(N)C(O)C(O)C(CN)O1)C(CO)O2)C(O)C(N)CC3N)C(N)C(O)C(O)C(CN)O4
6.25000 Neostigmine C1(OC(=O)N(C)C)=CC=CC([N+](C)(C)C)=C1
8.33000 Niacinamide N1=CC=CC(C(N)=O)=C1
3.33000 Nialamide C2=NC=CC(C(=O)NNCCC(=O)NCC1=CC=CC=C1)=C2
2.00000 Nicardipine C3(C)=C(C(=O)OC)C(C1=CC=CC(N(=O)=O)=C1)C(C(=O)OCCN(C)CC2=CC=CC=C2)=C(C)N3
4.00000 Niceritrol C(C(COC(=O)C1=CC=CN=C1)(COC(=O)C2=CC=CN=C2)COC(=O)C3=CC=CN=C3)OC(=O)C4=CC=CN=C4
66.70000 Nicofuranose C5(OC(=O)C1=CC=CN=C1)C(OC(=O)C2=CC=CN=C2)C(COC(=O)C3=CC=CN=C3)OC5(O)COC(=O)C4=CC=CN=C4
12.50000 Nicotinic acid C1=CC=C(C(=O)O)C=N1
5.00000 Nicotinyl alcohol C1=CC=C(CO)C=N1
12.50000 Niflumic acid C2=CC=C(C(=O)O)C(NC1=CC=CC(C(F)(F)F)=C1)=N2
0.08330 Nimetazepam C1=C(N(=O)=O)C=C3C(=C1)N(C)C(=O)CN=C3C2=CC=CC=C2
6.00000 Nimodipine C2=CC(C1C(C(=O)OC(C)C)=C(C)NC(C)=C1C(=O)OCCOC)=CC(N(=O)=O)=C2
0.66700 Nisoldipine C2(C)=C(C(=O)OC)C(C1=CC=CC=C1N(=O)=O)C(C(=O)OCC(C)C)=C(C)N2
0.33300 Nitrazepam C1=C(N(=O)=O)C=C3C(=C1)NC(=O)CN=C3C2=CC=CC=C2
0.33300 Nitrendipine C2(C)=C(C(=O)OC)C(C1=CC=CC(N(=O)=O)=C1)C(C(=O)OCC)=C(C)N2
6.67000 Nitrofurantoin C2C=C(N(=O)=O)OC=2C=NN1C(=O)NC(=O)C1
0.40000 Nitrogen mustard oxide C(N(=O)(C)CCCl)CCl
5.00000 Nizatidine C1(CN(C)C)=NC(CSCCNC(NC)=CN(=O)=O)=CS1
3.33000 Nomifensine C1=CC=C3C(=C1N)CN(C)CC3C2=CC=CC=C2
0.06670 Norepinephrine C1(O)=C(O)C=CC(C(O)CN)=C1
0.50000 Norethandrolone C1C(=O)C=C2C(C1)C3C(CC2)C4C(C)(CC3)C(O)(CC)CC4
0.01670 Norethindrone C34(C)C(C2C(C1C(=CC(=O)CC1)CC2)CC3)CCC4(O)C#C
0.01670 Norethindrone acetate C34(C)C(C2C(C1C(=CC(=O)CC1)CC2)CC3)CCC4(C#C)OC(=O)C
0.66700 Norethynodrel C1C(=O)CC2=C(C1)C3C(CC2)C4C(C)(CC3)C(O)(C#C)CC4
0.50000 Normethandrone C1C(=O)C=C2C(C1)C3C(CC2)C4C(C)(CC3)C(C)(O)CC4
1.67000 Nortriptyline C1C=CC2=C(C=1)CCC3=C(C2=CCCNC)C=CC=C3
2.50000 Noscapine C1(OC)=C5C(=CC2=C1OCO2)CCN(C)C5C3OC(=O)C4=C3C=CC(OC)=C4OC
25.00000 Novobiocin C2(OC1OC(C)(C)C(OC)C(OC(N)=O)C1O)=CC=C4C(=C2C)OC(=O)C(NC(=O)C3=CC(CC=C(C)C)=C(O)C=C3)=C4O
0.80000 Nylidrin C2=C(O)C=CC(C(O)C(C)NC(C)CCC1=CC=CC=C1)=C2
0.25000  Olanzapine C2(N1CCN(C)CC1)=NC4=C(NC3=C2C=C(C)S3)C=CC=C4
33.30000 Oleandomycin C3(C)C(OC1C(O)C(N(C)C)CC(C)O1)C(C)C(OC2OC(C)C(O)C(OC)C2)C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C4(C3)CO4
0.33300 Olopatadine O1CC3=C(C(=CCCN(C)C)C2=C1C=CC(CC(O)=O)=C2)C=CC=C3
16.70000 Olsalazine C2=C(C(O)=O)C(O)=CC=C2N=NC1=CC(C(=O)O)=C(O)C=C1
2.00000 Omeprazole C1=C(OC)C=C3C(=C1)NC(S(=O)CC2=C(C)C(OC)=C(C)C=N2)=N3
0.40000 Ondansetron C1=CC=C2C(=C1)C4=C(N2C)CCC(CN3C(C)=NC=C3)C4=O
5.00000 Opipramol C1=CC=C3C(=C1)C=CC4=C(N3CCCN2CCN(CCO)CC2)C=CC=C4
6.00000 Orlistat CC(C)CC(C(=O)OC(CCCCCCCCCCC)CC1OC(=O)C1CCCCCC)NC=O
6.67000 Orphenadrine C2=CC=CC(C(OCCN(C)C)C1=CC=CC=C1)=C2C
100.00000 Oxacillin C4=CC=CC(C3=NOC(C)=C3C(=O)NC1C(=O)N2C1SC(C)(C)C2C(O)=O)=C4
60.00000 Oxamniquine C1(N(=O)=O)=C(CO)C=C2C(=C1)NC(CNC(C)C)CC2
0.33300 Oxandrolone O1C(=O)CC2C(C)(C1)C3C(CC2)C4C(C)(CC3)C(O)(C)CC4
2.00000 Oxazepam C1=C(Cl)C=C3C(=C1)NC(=O)C(O)N=C3C2=CC=CC=C2
1.00000 Oxazolam C1=C(Cl)C=C3C(=C1)NC(=O)CN4C3(C2=CC=CC=C2)OC(C)C4
0.01000 Oxitropium bromide O(C1CC2[N+](C)(CC)C(C1)C3C2O3)C(=O)C(CO)C4=CC=CC=C4
3.33000 Oxolamine C2(C1=CC=CC=C1)N=C(CCN(CC)CC)ON=2
25.00000 Oxolinic acid C1(C(O)=O)=CN(CC)C2=C(C1=O)C=C3C(=C2)OCO3
0.66700 Oxomemazine C1=CC=C2C(=C1)N(CC(C)CN(C)C)C3=C(S2(O)O)C=CC=C3
0.33300 Oxybutynin C(O)(C(=O)OCC#CCN(CC)CC)(C1=CC=CC=C1)C2CCCCC2
0.33300 Oxycodone C125C3C4OC1C(=O)CCC2(O)C([H])(CC=3C=CC=4OC)N(C)CC5
0.80000 Oxyfedrine C2=CC(OC)=CC(C(=O)CCNC(C)C(O)C1=CC=CC=C1)=C2
0.15000 Oxymorphone C125C3C4OC1C(=O)CCC2(O)C(CC=3C=CC=4O)N(C)CC5
0.50000 Oxyphencyclimine C3=CC=C(C(O)(C(=O)OCC1=NCCCN1C)C2CCCCC2)C=C3
0.83300 Oxyphenisatin C1=CC=C4C(=C1)NC(=O)C4(C2=CC=C(O)C=C2)C3=CC=C(O)C=C3
33.30000 Oxytetracycline C1=CC=C2C(=C1O)C(=O)C3C(C2(O)C)C(O)C4C(O)(C=3O)C(=O)C(C(N)=O)=C(O)C4N(C)C
4.73000  Paclitaxel C24([H])C1(OC(C)=O)C(OC1)CC(O)C2(C)C(=O)C(OC(C)=O)C7C(C)(C)C(O)(C4OC(=O)C3C=CC=CC=3)CC(OC(=O)C(O)C(C5C=CC=CC=5)NC(=O)C6=CC=CC=C6)C=7C
1.50000 Pamidronic acid NCCC(O)(P(O)(=O)O)P(O)(=O)O
0.10000 Pancuronium bromide C2([N+]1(C)CCCCC1)C(OC(C)=O)CC3C(C)(C2)C4C(CC3)C6C(C)(CC4)C(OC(C)=O)C([N+]5(C)CCCCC5)C6
0.66700 Pantoprazole C2(S(=O)CC1=C(OC)C(OC)=CC=N1)NC3=C(N=2)C=CC(OC(F)F)=C3
0.11700 Pantothenic acid OC(=O)CCNC(=O)C(O)C(C)(C)CO
10.00000 Papaverine C1(OC)=C(OC)C=C3C(=C1)C(CC2=CC=C(OC)C(OC)=C2)=NC=C3
250.00000 Paraldehyde C1(C)OC(C)OC(C)O1
40.00000 Paramethadione N1(C)C(=O)C(C)(CC)OC1=O
0.40000 Paramethasone C1C(=O)C=C2C(C)(C=1)C3C(CC2F)C4C(C)(CC3O)C(O)(C(=O)CO)C(C)C4
0.40000 Paramethasone acetate C1C(=O)C=C2C(C)(C=1)C3C(CC2F)C4C(C)(CC3O)C(O)(C(=O)COC(C)=O)C(C)C4
3.33000 Pargyline C1=CC=CC(CN(C)CC#C)=C1
35.00000 Paromomycin C4(O)C(O)C(N)C(OC3C(OC2C(O)C(OC1C(N)C(O)C(O)C(CN)O1)C(CO)O2)C(O)C(N)CC3N)OC4CO
0.83300 Paroxetine FC4C=CC(C3CCNCC3COC1=CC=C2C(=C1)OCO2)=CC=4
50.00000 Paroxypropione C1=C(O)C=CC(C(=O)CC)=C1
1.88000 Pemoline N2C(=O)C(C1=CC=CC=C1)OC=2N
1.33000 Penbutolol C2=CC=CC(OCC(O)CNC(C)(C)C)=C2C1CCCC1
25.00000 Penicillin V C3=CC=CC=C3OCC(=O)NC1C(=O)N2C1SC(C)(C)C2C(O)=O
3.33000 Pentaerythritol tetranitrate C(CON(=O)=O)(CON(=O)=O)(CON(=O)=O)CON(=O)=O
4.00000 Pentamidine C2=C(C(N)=N)C=CC(OCCCCCOC1=CC=C(C(=N)N)C=C1)=C2
4.00000 Pentapiperide C2=CC(C(C(C)CC)C(=O)OC1CCN(C)CC1)=CC=C2
0.50000 Pentazocine C1=C(O)C=C2C(=C1)C3CC(C)C2(C)CCN3CC=C(C)C
2.50000 Pentetic acid OC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O
16.70000 Pentobarbital C1(=O)C(CC)(C(C)CCC)C(=O)N=C(O)N1
0.06670 Pentostatin N1=CNCC(O)C3=C1N(C2CC(O)C(CO)O2)C=N3
20.00000 Pentoxifylline N1(CCCCC(C)=O)C(=O)N(C)C2=C(C1=O)N(C)C=N2
0.05000 Pergolide C1=CC3=C2C(=C1)C4C(CC2=CN3)N(CCC)CC(CSC)C4
5.00000 Perhexiline C3CCCC(CC(C1CCCCC1)C2CCCCC2)N3
0.13300 Perindopril CCCC(NC(C)C(=O)N1C(C(O)=O)CC2C1CCCC2)C(=O)OCC
0.40000 Perphenazine C1=CC=C3C(=C1)N(CCCN2CCN(CCO)CC2)C4=C(S3)C=CC(Cl)=C4
50.00000 Phenacemide C1=CC=CC(CC(=O)NC(N)=O)=C1
50.00000 Phenacetin C1=C(OCC)C=CC(NC(C)=O)=C1
20.00000 Phenaglycodol C1=C(Cl)C=CC(C(O)(C)C(C)(C)O)=C1
6.67000 Phenazopyridine C2(N)=NC(N)=CC=C2N=NC1=CC=CC=C1
0.20000 Phencyclidine C3=CC=CC=C3C2(N1CCCCC1)CCCCC2
3.50000 Phendimetrazine C2=CC=CC(C1C(C)N(C)CCO1)=C2
50.00000 Phenethicillin C3=CC=CC(OC(C)C(=O)NC1C(=O)N2C1SC(C)(C)C2C(O)=O)=C3
1.67000 Phenformin C1=CC=CC=C1CCNC(=N)NC(N)=N
0.83300 Phenglutarimide C2(=O)CCC(CCN(CC)CC)(C1=CC=CC=C1)C(=O)N2
2.50000 Phenindamine C1=CC=C3C(=C1)C(C2=CC=CC=C2)C4=C3CCN(C)C4
3.33000 Phenindione C1=CC=C3C(=C1)C(=O)C(C2=CC=CC=C2)C3=O
0.62500 Pheniramine C2=CC=CC(C(CCN(C)C)C1=CC=CC=C1)=N2
1.25000 Phenmetrazine C2CNC(C)C(C1=CC=CC=C1)O2
2.16000 Phenobarbitol C2=CC=CC(C1(CC)C(=O)NC(=O)NC1=O)=C2
2.17000 Phenolphthalein C3(C1C=CC(O)=CC=1)(C2C=CC(O)=CC=2)OC(=O)C4=C3C=CC=C4
2.00000 Phenoxybenzamine C2=CC=CC(OCC(C)N(CCCl)CC1=CC=CC=C1)=C2
0.40000 Phenprocoumon C1=CC=C3C(=C1)OC(=O)C(C(CC)C2=CC=CC=C2)=C3O
50.00000 Phensuximide C2=CC=CC(C1C(=O)N(C)C(=O)C1)=C2
0.62500 Phentermine C1=CC=CC(CC(C)(C)N)=C1
0.16700 Phentolamine C3=C(C)C=CC(N(CC1=NCCN1)C2=CC(O)=CC=C2)=C3
100.00000 Phenylalanine C1=CC=CC(CC(N)C(O)=O)=C1
10.00000 Phenylbutazone C3(CCCC)C(=O)N(C1=CC=CC=C1)N(C2=CC=CC=C2)C3=O
0.83300 Phenylephrine C1(O)=CC=CC(C(O)CNC)=C1
3.00000 Phenylpropanolamine C1=CC=CC(C(O)C(C)N)=C1
25.00000 Phenylsemicarbazide, 1- C1(NNC(N)=O)=CC=CC=C1
3.33000 Phenyltoloxamine C2=CC=CC(OCCN(C)C)=C2CC1=CC=CC=C1
5.00000 Phenytoin C3=CC=C(C2(C1=CC=CC=C1)NC(=O)NC2=O)C=C3
200.00000 Phthalazinol C12=C(C(CO)=NNC1=O)C=C(C)C(C(=O)OCC)=C2C
200.00000 Phthalylsulfathiazole C3=CC=CC(C(=O)NC2=CC=C(S(=O)(=O)NC1SC=CN=1)C=C2)=C3C(=O)O
0.01670 Physostigmine C1=C(OC(=O)NC)C=C2C(=C1)N(C)C3C2(C)CCN3C
0.41700 Phytonadione, K1 C1=CC=C2C(=C1)C(=O)C(C)=C(CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C2=O
0.50000 Pilocarpine C2N=CN(C)C=2CC1C(CC)C(=O)OC1
0.16700 Pimozide C1=CC5=C(C=C1)N(C4CCN(CCCC(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3)CC4)C(=O)N5
0.33300 Pinazepam C1=C(Cl)C=C3C(=C1)N(CC#C)C(=O)CN=C3C2=CC=CC=C2
1.00000 Pindolol C1C=CC(OCC(O)CNC(C)C)=C2C=1NC=C2
0.25000 Pipamazine C1=CC=C3C(=C1)N(CCCN2CCC(C(N)=O)CC2)C4=C(S3)C=CC(Cl)=C4
0.09000 Pipecuronium bromide C2(N1CC[N+](C)(C)CC1)C(OC(C)=O)CC3C(C)(C2)C4C(CC3)C6C(C)(CC4)C(OC(C)=O)C(N5CC[N+](C)(C)CC5)C6
13.30000 Pipemidic acid C1=C(C(O)=O)C(=O)C3=C(N1CC)N=C(N2CCNCC2)N=C3
0.25000 Pipenzolate bromide C3CCC(OC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2)C[N+]3(C)CC
2.67000 Piperacetazine C1=CC=C3C(=C1)N(CCCN2CCC(CCO)CC2)C4=C(S3)C=CC(C(C)=O)=C4
400.00000 Piperacillin N4(CC)C(=O)C(=O)N(C(=O)NC(C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O)C3=CC=CC=C3)CC4
66.70000 Piperazine C1CNCCN1
1.33000 Piperilate OC(C(=O)OCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
3.00000 Pipobroman C1N(C(=O)CCBr)CCN(C(=O)CCBr)C1
0.10000 Pipradrol C3=CC=C(C(O)(C1=CC=CC=C1)C2CCCCN2)C=C3
2.50000 Pirenzepine C1=CC=C3C(=C1)N(C(=O)CN2CCN(C)CC2)C4=C(NC3=O)C=CC=N4
0.20000 Piretanide C3(S(=O)(=O)N)=C(OC1=CC=CC=C1)C(N2CCCC2)=CC(C(=O)O)=C3
13.30000 Pirprofen C2(Cl)=C(N1CC=CC1)C=CC(C(C)C(O)=O)=C2
0.05000 Pizotyline C1=CC=C3C(=C1)CCC4=C(C3=C2CCN(C)CC2)C=CS4
40.00000 Plafibride C2=C(Cl)C=CC(OC(C)(C)C(=O)NC(=O)NCN1CCOCC1)=C2
0.03000 Plicamycin C3(OC2OC(C)C(O)C(OC1OC(C)C(O)C(O)C1)C2)=C(C)C(O)=C4C(=C3)C=C8C(=C4O)C(=O)C(OC7OC(C)C(O)C(OC6OC(C)C(OC5CC(O)(C)C(O)C(C)O5)C(O)C6)C7)C(C(C(=O)C(O)C(O)C)OC)C8
25.00000 Polysorbate 80 C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO
1.33000 Prajmalium C125C([H])(C3([H])[N+]4(CCC)C(C1)C(C2O)C(C3)C(CC)C4O)N(C)C6C5=CC=CC=6
33.30000 Pralidoxime C1=CC=CC(C=NO)=[N+]1C
0.10000 Pramipexole C1(NCCC)CCC2=C(C1)SC(N)=N2
3.75000 Pranoprofen C1=CN=C2C(=C1)CC3=C(O2)C=CC(C(C)C(=O)O)=C3
0.66700 Pravastatin C1C(O)C=C2C(C1OC(=O)C(C)CC)C(CCC(O)CC(O)CC(O)=O)C(C)C=C2
1.00000 Prazepam C1=C(Cl)C=C4C(=C1)N(CC2CC2)C(=O)CN=C4C3=CC=CC=C3
3.33000 Prednimustine C1C(=O)C=C2C(C)(C=1)C3C(CC2)C5C(C)(CC3O)C(O)(C(=O)COC(=O)CCCC4=CC=C(N(CCCl)CCCl)C=C4)CC5
3.33000 Prednisolone C1C(=O)C=C2C(C)(C=1)C3C(CC2)C4C(C)(CC3O)C(O)(C(=O)CO)CC4
3.33000 Prednisolone acetate C1C(=O)C=C2C(C)(C=1)C3C(CC2)C4C(C)(CC3O)C(O)(C(=O)COC(=O)C)CC4
3.33000 Prednisolone steaglate C1C(=O)C=C2C(C)(C=1)C3C(CC2)C4C(C)(CC3O)C(O)(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)CC4
3.33000 Prednisolone succinate C1C(=O)C=C2C(C)(C=1)C3C(CC2)C4C(C)(CC3O)C(O)(C(=O)COC(=O)CCC(O)=O)CC4
3.33000 Prednisolone tebutate C1C(=O)C=C2C(C)(C=1)C3C(CC2)C4C(C)(CC3O)C(O)(C(=O)COC(=O)CC(C)(C)C)CC4
3.33000 Prednisolone valerate acetate C1C(=O)C=C2C(C)(C=1)C3C(CC2)C4C(C)(CC3O)C(OC(=O)CCCC)(C(=O)COC(=O)C)CC4
0.33300 Prenalterol C1=C(O)C=CC(OCC(O)CNC(C)C)=C1
2.00000 Prifinium bromide C(C1=CC=CC=C1)(C2=CC=CC=C2)=C3CC[N+](CC)(CC)C3C
0.75000 Primaquine C1(OC)C=C2C(=C(NC(C)CCCN)C=1)N=CC=C2
8.33000 Primidone C2(=O)C(C1=CC=CC=C1)(CC)C(=O)NCN2
16.70000 Probenecid CCCN(CCC)S(=O)(=O)C1=CC=C(C(O)=O)C=C1
50.00000 Procainamide C1=C(N)C=CC(C(=O)NCCN(CC)CC)=C1
6.00000 Procarbazine C1=C(C(=O)NC(C)C)C=CC(CNNC)=C1
1.67000 Prochlorperazine C1=CC=C3C(=C1)N(CCCN2CCN(C)CC2)C4=C(S3)C=CC(Cl)=C4
0.33300 Procyclidine C3=CC=CC(C(O)(CCN1CCCC1)C2CCCCC2)=C3
26.70000 Proglumide N(C(=O)C(CCC(O)=O)NC(=O)C1=CC=CC=C1)(CCC)CCC
16.70000 Promazine C1=CC=C2C(=C1)N(CCCN(C)C)C3=C(S2)C=CC=C3
1.67000 Promethazine C1=CC2=C(C=C1)N(CC(C)N(C)C)C3=C(S2)C=CC=C3
1.25000 Propantheline bromide C1=CC=C2C(=C1)C(C(=O)OCC[N+](C)(C(C)C)C(C)C)C3=C(O2)C=CC=C3
0.83300 Propiomazine C1=CC=C2C(=C1)N(CC(C)N(C)C)C3=C(S2)C=CC(C(=O)CC)=C3
20.00000 Propionylleucomycin O(C2OC(C)C(OC1OC(C)C(OC(=O)CCC)C(C)(OC(=O)CC)C1)C(N(C)C)C2O)C3C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC(O)C3OC
2.50000 Propiram C2=CC=NC(N(C(C)CN1CCCCC1)C(=O)CC)=C2
2.50000 Propofol C1(C(C)C)=CC=CC(C(C)C)=C1O
6.50000 Propoxyphene C(C)(C(OC(=O)CC)(CC1=CC=CC=C1)C2=CC=CC=C2)CN(C)C
10.70000 Propranolol C1=CC2C(C=C1)=C(OCC(O)CNC(C)C)C=CC=2
2.50000 Propylhexedrine C1CCCC(CC(C)NC)C1
100.00000 Propyliodone C1(I)C(=O)C(I)=CN(CC(=O)OCCC)C=1
10.00000 Propylparaben C1=C(O)C=CC(C(=O)OCCC)=C1
30.00000 Propyphenazone C2=CC(N1N(C)C(C)=C(C(C)C)C1=O)=CC=C2
20.00000 Proquazone C1(C)=CC=C3C(=C1)N(C(C)C)C(=O)N=C3C2=CC=CC=C2
3.33000 Proreside C1C4=C(C=C3C=1C(C2=CC(OC)=C(OC)C(OC)=C2)C(C(=O)NNCC)C(CO)C3O)OCO4
0.04170 Proscillaridin C2C(OC1OC(C)C(O)C(O)C1O)C=C3C(C)(C2)C4C(CC3)C6(O)C(C)(CC4)C(C5C=CC(=O)OC=5)CC6
0.00833 Protirelin C(C(=O)N1CCCC1C(=O)N)(NC(=O)C2CCC(=O)N2)CC3=CNC=N3
0.02500 Protoverine C1C(O)C7(O)C2C(C)(C1)C3(C(C(O)C2O)C4(O)C(C3)C5C(C(O)C4O)C(C)(O)C6N(C5)CC(C)CC6)O7
1.00000 Protriptyline C1=CC=C2C(=C1)C(CCCNC)C3=C(C=C2)C=CC=C3
40.00000 Proxyphylline N1(C)C(=O)N(C)C2=C(C1=O)N(CC(C)O)C=N2
4.00000 Pseudoephedrine C1=CC=CC(C(O)C(C)NC)=C1
20.00000 Pyrantel C2(C=CC1=CC=CS1)=NCCCN2C
30.00000 Pyrazinamide C1=CN=CC(C(N)=O)=N1
20.00000 Pyridostigmine bromide C1=CC=C(OC(=O)N(C)C)C=[N+]1C
6.67000 Pyridoxine C1(C)=C(O)C(CO)=C(CO)C=N1
1.25000 Pyrilamine C2(OC)=CC=C(CN(CCN(C)C)C1=NC=CC=C1)C=C2
1.25000 Pyrimethamine C2(CC)=NC(N)=NC(N)=C2C1=CC=C(Cl)C=C1
1.50000 Pyrrobutamine C3=C(Cl)C=CC(CC(=CCN1CCCC1)C2=CC=CC=C2)=C3
5.00000 Pyrvinium Pamoate C3(C(O)=O)=CC4C(C(CC1C(O)=C(C(=O)O)C=C2C=1C=CC=C2)=C3O)=CC=CC=4
5.00000 Pyrvinium Pamoate C1=C(N(C)C)C=C4C(=C1)[N+](C)=C(C=CC3C=C(C)N(C2=CC=CC=C2)C=3C)C=C4
13.30000  Quetiapine S2C4=C(N=C(N1CCN(CCOCCO)CC1)C3=C2C=CC=C3)C=CC=C4
1.33000 Quinapril C1=CC=C3C(=C1)CN(C(=O)C(C)NC(CCC2=CC=CC=C2)C(=O)OCC)C(C(O)=O)C3
3.33000 Quinethazone C1(Cl)=C(S(N)(=O)=O)C=C2C(=C1)NC(CC)NC2=O
10.00000 Quinidine C34C(C(O)C1([H])N2CC(C=C)C([H])(C1)CC2)=CC=NC=3C=CC(OC)=C4
10.00000 Raloxifene C1(O)=CC=C5C(=C1)SC(C2=CC=C(O)C=C2)=C5C(=O)C4=CC=C(OCCN3CCCCC3)C=C4
0.33300 Ramipril C3=CC=CC(CCC(NC(C)C(=O)N1C(C(=O)O)CC2C1CCC2)C(=O)OCC)=C3
0.26700 Repaglinide C3=CC=C(N1CCCCC1)C(C(NC(=O)CC2=CC(OCC)=C(C(O)=O)C=C2)CC(C)C)=C3
1.00000 Reproterol N1(C)C(=O)N(C)C3=C(C1=O)N(CCCNCC(O)C2=CC(O)=CC(O)=C2)C=N3
0.01670 Rescinnamine C1=C(OC)C=C2C(=C1)C3=C(N2)C4N(CC3)CC6C(C4)C(C(=O)OC)C(OC)C(OC(=O)C=CC5=CC(OC)=C(OC)C(OC)=C5)C6
0.01000 Reserpine C1C=C(OC)C=C2C=1C3=C(N2)C4N(CC3)CC6C(C4)C(C(=O)OC)C(OC)C(OC(=O)C5=CC(OC)=C(OC)C(OC)=C5)C6
0.91700 Retinol C1CCC(C)=C(C=CC(C)=CC=CC(C)=CCO)C1(C)C
200.00000 Ribavirin N2(C1C(O)C(O)C(CO)O1)N=C(C(=O)N)N=C2
0.50000 Riboflavin C1(C)=CC2=C(C=C1C)N(CC(O)C(O)C(O)CO)C3C(=N2)C(=O)NC(=O)N=3
0.50000 Riboflavin phosphate C1(C)=CC2=C(C=C1C)N(CC(O)C(O)C(O)COP(O)(=O)O)C3C(=N2)C(=O)NC(=O)N=3
20.00000 Rifampin C2(C)C(O)C(C)C=CC=C(C)C(=O)NC5=C(C=NN1CCN(C)CC1)C(O)=C4C3C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C2O)OC=3C(C)=C(O)C4=C5O
3.33000 Rimantadine C1C2CC3CC1CC(C(N)C)(C2)C3
1.33000 Ripazepam C13=C(C(C)=NN1CC)NC(=O)CN=C3C2C=CC=CC=2
0.08330 Risedronic acid N1=CC(CC(O)(P(O)(O)=O)P(O)(=O)O)=CC=C1
0.20000 Rivastigmine C1(OC(=O)N(C)CC)=CC=CC(C(C)N(C)C)=C1
0.50000 Rizatriptan C2=C(CN1C=NC=N1)C=C3C(=C2)NC=C3CCN(C)C
1.20000 Rocuronium bromide C2(N1CCOCC1)C(O)CC3C(C)(C2)C4C(CC3)C6C(C)(CC4)C(OC(C)=O)C([N+]5(CC=C)CCCC5)C6
0.83300 Rofecoxib C3(=O)C(C1=CC=CC=C1)=C(C2C=CC(S(=O)(=O)C)=CC=2)CO3
5.83000 Rolitetracycline C1=CC=C2C(=C1O)C(=O)C3C(C2(O)C)CC5C(O)(C=3O)C(=O)C(C(=O)NCN4CCCC4)=C(O)C5N(C)C
0.13300 Rosiglitazone C3(CC2C=CC(OCCN(C)C1=CC=CC=N1)=CC=2)SC(=O)NC3=O
43.30000  Salicylamide C1=CC=CC(O)=C1C(=O)N
0.00140 Salmeterol C2(CO)=C(O)C=CC(C(O)CNCCCCCCOCCCCC1=CC=CC=C1)=C2
66.70000 Salsalate C2=CC=CC(OC(=O)C1=C(O)C=CC=C1)=C2C(=O)O
0.00033 Scopolamine C4=CC=CC(C(C(=O)OC1CC2C3C(C(C1)N2C)O3)CO)=C4
3.33000 Secobarbital C1(=O)C(CC=C)(C(C)CCC)C(=O)NC(=O)N1
0.16700 Selegiline C1=CC=CC(CC(C)N(C)CC#C)=C1
16.70000 Sennoside B C8(O)C(O)C(CO)OC(OC1C=CC=C7C=1C(=O)C2=C(C=C(C(=O)O)C=C2O)C7([H])C5([H])C4C(=C(OC3OC(CO)C(O)C(O)C3O)C=CC=4)C(=O)C6=C5C=C(C(=O)O)C=C6O)C8O
3.33000 Sertraline C1=CC=C3C(=C1)C(NC)CCC3C2=CC=C(Cl)C(Cl)=C2
0.25000 Sibutramine C2=C(Cl)C=CC(C1(C(N(C)C)CC(C)C)CCC1)=C2
1.67000 Sildenafil N3C(C2=CC(S(=O)(=O)N1CCN(C)CC1)=CC=C2OCC)=NC4=C(C3=O)N(C)N=C4CCC
7.00000 Silymarin C1(O)=CC(O)=C5C(=C1)OC(C2=CC4=C(C=C2)OC(CO)C(C3=CC=C(O)C(OC)=C3)O4)C(O)C5=O
0.66700 Simvastatin C1C(C)C=C3C(C1OC(=O)C(C)(C)CC)C(CCC2OC(=O)CC(O)C2)C(C)C=C3
0.13500 Sirolimus C1CN3C(CC1)C(=O)OC(C(C)CC2CC(OC)C(O)CC2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(OC)CC4OC(O)(C(=O)C3=O)C(C)CC4
3.00000 Sisomicin C3(CN)=CCC(N)C(OC2C(O)C(OC1OCC(C)(O)C(NC)C1O)C(N)CC2N)O3
100.00000 Sitosterol, alpha1- C1C(O)C(C)C2C(C)(C1)C3C(=CC2)C4C(C)(CC3)C(C(C)CCC(C(C)C)=CC)CC4
100.00000 Sitosterol, beta- C34(C)C([H])(C1([H])C([H])(C2(C)C(=CC1)CC(O)CC2)CC3)CCC4C(C)CCC(C(C)C)CC
5.00000 Sofalcone CC(C)=CCOC2=CC=C(C=CC(=O)C1=CC=C(OCC=C(C)C)C=C1OCC(O)=O)C=C2
4.17000 Sorbinil C1=C(F)C=C2C(=C1)OCCC23NC(=O)NC3=O
833.00000 Sorbitol C(O)(C(O)C(O)CO)C(O)CO
5.33000 Sotalol S(=O)(C)(=O)NC1=CC=C(C(O)CNC(C)C)C=C1
6.67000 Sparfloxacin C2(N1CC(C)NC(C)C1)=C(F)C(N)=C4C(=C2F)N(C3CC3)C=C(C(=O)O)C4=O
10.00000 Sparteine C1CCC2N(C1)CC3C4N(CC2C3)CCCC4
66.70000 Spectinomycin C1(NC)C(O)C(NC)C2C(C1O)OC3C(O)(O2)C(=O)CC(C)O3
7.50000 Spiclomazine C1=CC=C4C(=C1)N(CCCN2CCC3(CC2)NC(=O)CS3)C5=C(S4)C=CC(Cl)=C5
66.70000 Spiramycin I C4([H])(OC3C(C)CC(CC=O)C(OC2([H])OC(C)C(OC1([H])OC(C)C(O)C(O)(C)C1)C(N(C)C)C2O)C(OC)C(O)CC(=O)OC(C)CC=CC=C3)OC(C)C(N(C)C)CC4
66.70000 Spiramycin II C4([H])(OC3C(C)CC(CC=O)C(OC2([H])OC(C)C(OC1([H])OC(C)C(O)C(O)(C)C1)C(N(C)C)C2O)C(OC)C(OC(=O)C)CC(=O)OC(C)CC=CC=C3)OC(C)C(N(C)C)CC4
66.70000 Spiramycin III C4([H])(OC3C(C)CC(CC=O)C(OC2([H])OC(C)C(OC1([H])OC(C)C(O)C(O)(C)C1)C(N(C)C)C2O)C(OC)C(OC(=O)CC)CC(=O)OC(C)CC=CC=C3)OC(C)C(N(C)C)CC4
20.00000 Streptomycin A C3(O)C(NC(=N)N)C(OC2C(OC1C(NC)C(O)C(O)C(CO)O1)C(O)(C=O)C(C)O2)C(O)C(O)C3NC(=N)N
20.00000 Streptomycin B C4(O)C(NC(=N)N)C(OC3C(OC2C(NC)C(O)C(OC1C(O)C(O)C(O)C(CO)O1)C(CO)O2)C(O)(C=O)C(C)O3)C(O)C(O)C4NC(=N)N
108.00000 Streptozocin C1([H])(NC(=O)N(C)N=O)C(O)([H])C(O)([H])C([H])(CO)OC1(O)[H]
0.70000 Strychnine C126C5C4([H])C3([H])CC1([H])N(CC2)CC3=CCOC4CC(=O)N5C7C6=CC=CC=7
10.00000 Succimer OC(=O)C(S)C(S)C(O)=O
100.00000 Succinic acid C(O)(=O)CCC(O)=O
1.10000 Succinylcholine C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
0.02500 Sufentanil C3=CC=CC(N(C(=O)CC)C2(COC)CCN(CCC1SC=CC=1)CC2)=C3
66.70000 Sulbactam C1C(=O)N2C1S(=O)(=O)C(C)(C)C2C(=O)O
16.70000 Sulfacytine C2=CC(NS(=O)(=O)C1=CC=C(N)C=C1)=NC(=O)N2CC
33.30000 Sulfadimethoxine C2=C(N)C=CC(S(=O)(=O)NC1=CC(OC)=NC(OC)=N1)=C2
25.00000 Sulfadoxine C2=C(N)C=CC(S(=O)(=O)NC1=C(OC)C(OC)=NC=N1)=C2
20.00000 Sulfaguanidine C1=C(N)C=CC(S(=O)(=O)NC(N)=N)=C1
40.00000 Sulfaguanole C2=C(N)C=CC(S(=O)(=O)NC(=N)NC1OC(C)=C(C)N=1)=C2
25.00000 Sulfalene C2(S(=O)(=O)NC1C(OC)=NC=CN=1)C=CC(N)=CC=2
66.70000 Sulfamerazine N(S(=O)(=O)C1=CC=C(N)C=C1)C2=NC(C)=CC=N2
25.00000 Sulfameter N(S(=O)(=O)C1=CC=C(N)C=C1)C2=NC=C(OC)C=N2
50.00000 Sulfamethazine C2=C(N)C=CC(S(=O)(=O)NC1=NC(C)=CC(C)=N1)=C2
66.70000 Sulfamethizole N(S(=O)(=O)C1=CC=C(N)C=C1)C2=NN=C(C)S2
33.30000 Sulfamethomidine C2=C(N)C=CC(S(=O)(=O)NC1=CC(OC)=NC(C)=N1)=C2
33.30000 Sulfamoxole C2=C(N)C=CC(S(=O)(=O)NC1OC(C)=C(C)N=1)=C2
13.30000 Sulfinpyrazone C4=CC=C(N3C(=O)C(CCS(=O)C1=CC=CC=C1)C(=O)N3C2=CC=CC=C2)C=C4
66.70000 Sulfisoxazole C2=C(N)C=CC(S(=O)(=O)NC1ON=C(C)C=1C)=C2
66.70000 Sulfisoxazole acetal C2=C(N)C=CC(S(=O)(=O)N(C1ON=C(C)C=1C)C(=O)C)=C2
5.00000 Sulfobromophthalein C1(Br)=C(Br)C(Br)=C4C(=C1Br)C(=O)OC4(C2=CC=C(O)C(S(=O)(=O)O)=C2)C3=CC=C(O)C(S(=O)(=O)O)=C3
50.00000 Sulfonamide CS61 C2(N)=CC=C(S(=O)(=O)NC1=CC(OC)=NN=C1OC)C=C2
5.00000 Sulfoxone C2=C(NCS(O)=O)C=CC(S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1)=C2
6.67000 Sulindac C3=C(S(C)=O)C=CC(C=C1C(C)=C(CC(O)=O)C2=C1C=CC(F)=C2)=C3
133.00000 Sulphasalazine, N- C3=CC=CC(NS(=O)(=O)C2=CC=C(N=NC1=CC=C(O)C(C(O)=O)=C1)C=C2)=N3
10.00000 Sulthiame C2CCCN(C1=CC=C(S(N)(=O)=O)C=C1)S2(=O)=O
20.00000 Sultopride C2(C(=O)NCC1CCCN1CC)=CC(S(=O)(=O)CC)=CC=C2OC
0.20000 Sumatriptan C1=C(CS(=O)(=O)NC)C=C2C(=C1)NC=C2CCN(C)C
0.05000 Syrosingopine C1=C(OC)C=C2C(=C1)C3=C(N2)C4N(CC3)CC6C(C4)C(C(=O)OC)C(OC)C(OC(=O)C5=CC(OC)=C(OC(=O)OCC)C(OC)=C5)C6
3.33000  Talbutal C1(=O)C(CC=C)(C(C)CC)C(=O)NC(=O)N1
0.01330 Tamsulosin C2=CC=C(OCC)C(OCCNC(C)CC1=CC=C(OC)C(S(=O)(=O)N)=C1)=C2
30.00000 Tartaric acid C(O)(=O)C(O)C(O)C(O)=O
7.50000 Tartrazine C3=C(S(=O)(=O)O)C=CC(N=NC2C(C(O)=O)=NN(C1=CC=C(S(=O)(=O)O)C=C1)C2=O)=C3
25.00000 Tazobactam C1C(=O)N3C1S(=O)(=O)C(C)(CN2N=NC=C2)C3C(=O)O
20.00000 Tegafur-Uracil C2=C(F)C(=O)NC(=O)N2C1CCCO1
1.33000 Telmisartan C1=CC=C6C(=C1)N=C(C2=CC5=C(C(C)=C2)N=C(CCC)N5CC4=CC=C(C3=CC=CC=C3C(O)=O)C=C4)N6C
0.25000 Temazepam C1=C(Cl)C=C3C(=C1)N(C)C(=O)C(O)N=C3C2=CC=CC=C2
7.00000 Teniposide C8=CC=C(C1OCC7([H])C([H])(O1)C(O)C(O)C([H])(OC3C5C(C(C2=CC(OC)=C(O)C(OC)=C2)C4([H])C3([H])COC4=O)=CC6=C(C=5)OCO6)O7)S8
0.33300 Terazosin C1(OC)=C(OC)C=C4C(=C1)C(N)=NC(N3CCN(C(=O)C2CCCO2)CC3)=N4
27.00000 Terbinafine C1=CC=C2C(=C1)C(CN(C)CC=CC#CC(C)(C)C)=CC=C2
0.25000 Terbutaline C1(O)=CC(O)=CC(C(O)CNC(C)(C)C)=C1
2.00000 Terfenadine C4=CC=CC(C(O)(C1=CC=CC=C1)C3CCN(CCCC(O)C2=CC=C(C(C)(C)C)C=C2)CC3)=C4
20.00000 Terpin hydrate C1CC(C(C)(C)O)CCC1(O)C
4.17000 Testolactone C1C(=O)C=C2C(C)(C=1)C3C(CC2)C4C(C)(CC3)OC(=O)CC4
33.30000 Tetracycline C1(C)(O)C4=C(C(=O)C2C1CC3C(O)(C=2O)C(=O)C(C(N)=O)=C(O)C3N(C)C)C(O)=CC=C4
6.67000 Thalidomide C1=CC=CC3=C1C(=O)N(C2C(=O)NC(=O)CC2)C3=O
8.67000 Theophylline N1(C)C(=O)N(C)C2=C(C1=O)NC=N2
1.67000 Thiamine S2C(CCO)=C(C)[N+](CC1=CN=C(C)N=C1N)=C2
50.00000 Thiamphenicol C1=CC(C(O)C(CO)NC(=O)C(Cl)Cl)=CC=C1S(=O)(=O)C
50.00000 Thiamphenicol glycinate C(=O)(CN)OCC(C(O)C1C=CC(S(=O)(=O)C)=CC=1)NC(=O)C(Cl)Cl
0.50000 Thiethylperazine C1=CC=C3C(=C1)N(CCCN2CCN(C)CC2)C4=C(S3)C=CC(SCC)=C4
5.41000 Thioguanine N1=C(N)N=C2C(=C1S)NC=N2
4.17000 Thiopental C1(=O)C(CC)(C(C)CCC)C(=O)N=C(S)N1
1.50000 Thiopropazate C1=CC=C3C(=C1)N(CCCN2CCN(CCOC(C)=O)CC2)C4=C(S3)C=CC(Cl)=C4
0.66700 Thioproperazine C1=CC=C3C(=C1)N(CCCN2CCN(C)CC2)C4=C(S3)C=CC(S(=O)(=O)N(C)C)=C4
13.30000 Thioridazine C1=CC=C3C(=C1)N(CCC2CCCCN2C)C4=C(S3)C=CC(SC)=C4
0.40000 Thio-TEPA P(=S)(N1CC1)(N2CC2)N3CC3
0.50000 Thiothixene C1=CC=C3C(=C1)C(=CCCN2CCN(C)CC2)C4=C(S3)C=CC(S(=O)(=O)N(C)C)=C4
3.33000 Thiouracil C1=CC(=O)NC(=S)N1
5.00000 Thiphenamil C2=CC=C(C(C(=O)SCCN(CC)CC)C1=CC=CC=C1)C=C2
100.00000 Thymidine N2C(=O)N(C1CC(O)C(CO)O1)C=C(C)C2=O
0.00500 Thyroxine C2(I)=C(O)C(I)=CC(OC1=C(I)C=C(CC(N)C(O)=O)C=C1I)=C2
1.07000 Tiagabine C(=CCCN1CCCC(C(O)=O)C1)(C2SC=CC=2C)C3=C(C)C=CS3
6.67000 Tiapride C1(S(=O)(=O)C)=CC=C(OC)C(C(=O)NCCN(CC)CC)=C1
10.00000 Tiaprofenic acid C2=CC=CC(C(=O)C1SC(C(C)C(=O)O)=CC=1)=C2
5.00000 Tiaramide C1=C(Cl)C=C3C(=C1)SC(=O)N3CC(=O)N2CCN(CCO)CC2
0.04170 Tibolone C1C(=O)CC2=C(C1)C3C(C(C)C2)C4C(C)(CC3)C(O)(C#C)CC4
300.00000 Ticarcillin C2(NC(=O)C(C(O)=O)C1C=CSC=1)C(=O)N3C2SC(C)(C)C3C(=O)O
4.17000 Ticlopidine C3=CC=C(CN1CC2=C(CC1)SC=C2)C(Cl)=C3
8.33000 Ticrynafen C2C=CSC=2C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1
3.33000 Tilidine C2=CC=CC(C1(C(=O)OCC)CCC=CC1N(C)C)=C2
1.50000 Timepidium bromide C3C(OC)CC(=C(C1=CC=CS1)C2SC=CC=2)C[N+]3(C)C
0.20000 Timiperone C(=O)(CCCN3CCC(N1C(=S)NC2=C1C=CC=C2)CC3)C4=CC=C(F)C=C4
1.00000 Timolol C2(OCC(O)CNC(C)(C)C)C(N1CCOCC1)=NSN=2
10.00000 Timonacic N1C(C(=O)O)CSC1
33.30000 Tinidazole N1C=C(N(=O)=O)N(CCS(=O)(=O)CC)C=1C
5.00000 Tinoridine C3=CC=CC(CN1CCC2=C(C1)SC(N)=C2C(=O)OCC)=C3
33.30000 Tiopronin CC(S)C(=O)NCC(O)=O
0.60000 Tizanidine C2C(Cl)=C(NC1=NCCN1)C3C(C=2)=NSN=3
9.00000 Tobramycin C3C(N)C(OC1C(N)CC(O)C(CN)O1)C(O)C(OC2C(O)C(N)C(O)C(CO)O2)C3N
2.50000 Tofisopam C1(OC)=C(OC)C=C3C(=C1)C(CC)C(C)=NN=C3C2=CC=C(OC)C(OC)=C2
16.70000 Tolazamide C2=C(C)C=CC(S(=O)(=O)NC(=O)NN1CCCCCC1)=C2
2.00000 Tolazoline C2=CC=CC(CC1=NCCN1)=C2
33.30000 Tolbutamide C1=C(C)C=CC(S(=O)(=O)NC(=O)NCCCC)=C1
3.33000 Tolcapone C2(O)=C(O)C=C(C(=O)C1=CC=C(C)C=C1)C=C2N(=O)=O
5.00000 Tolperisone C2CCCN(CC(C)C(=O)C1=CC=C(C)C=C1)C2
8.00000 Tolterodine C(CCN(C(C)C)C(C)C)(C1=CC=CC=C1)C2=C(O)C=CC(C)=C2
6.67000 Topiramate C23(COS(=O)(=O)N)C(C1C(OC(C)(C)O1)CO2)OC(C)(C)O3
3.33000 Toremifene ClCCC(=C(C1=CC=C(OCCN(C)C)C=C1)C2=CC=CC=C2)C3=CC=CC=C3
3.33000 Torsemide C2=CC=C(C)C=C2NC1=C(S(=O)(=O)NC(=O)NC(C)C)C=NC=C1
6.67000 Tramadol C2=CC=C(OC)C=C2C1(O)CCCCC1CN(C)C
0.53300 Trandolapril C3=CC=CC(CCC(NC(C)C(=O)N1C(C(O)=O)CC2C1CCCC2)C(=O)OCC)=C3
5.00000 Tranilast C2=CC=CC(NC(=O)C=CC1=CC=C(OC)C(OC)=C1)=C2C(O)=O
1.00000 Tranylcypromine C2(C1=CC=CC=C1)CC2N
0.30000 Tretoquinol C1(O)=C(O)C=C3C(=C1)C(CC2=CC(OC)=C(OC)C(OC)=C2)NCC3
3.33000 Triamterene C3=CC=CC(C1=NC2C(N=C1N)=NC(N)=NC=2N)=C3
13.30000 Tribenoside C4(O)C(OCC1=CC=CC=C1)C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC4OCC
100.00000 Tribromoethanol, 2,2,2- C(Br)(Br)(Br)CO
0.06670 Trichlormethiazide C1(S(=O)(=O)N)=C(Cl)C=C2C(=C1)S(=O)(=O)NC(C(Cl)Cl)N2
33.30000 Triclofos C(C(Cl)(Cl)Cl)OP(O)(=O)O
3.33000 Tridihexethyl C2=CC=C(C(O)(CC[N+](CC)(CC)CC)C1CCCCC1)C=C2
33.30000 Trientine NCCNCCNCCN
0.13300 Trifluperidol C3=C(F)C=CC(C(=O)CCCN2CCC(O)(C1=CC(C(F)(F)F)=CC=C1)CC2)=C3
2.50000 Triflupromazine C1=CC=C2C(=C1)N(CCCN(C)C)C3=C(S2)C=CC(C(F)(F)F)=C3
0.25000 Trihexyphenidyl C3CC(C(O)(CCN1CCCCC1)C2=CC=CC=C2)CCC3
8.00000 Trilostane C1(C#N)=C(O)C5C2(C(C)(C1)C3C(CC2)C4C(C)(CC3)C(O)CC4)O5
10.00000 Trimebutine C2(OC)=C(OC)C(OC)=CC(C(=O)OCC(CC)(N(C)C)C1=CC=CC=C1)=C2
1.67000 Trimeprazine C1=CC=C2C(=C1)N(CC(C)CN(C)C)C3=C(S2)C=CC=C3
40.00000 Trimethadione N1(C)C(=O)C(C)(C)OC1=O
0.06670 Trimethaphan C5=CC=CC(CN2C(=O)N(CC1=CC=CC=C1)C3C2CS4C3CCC4)=C5
16.70000 Trimethobenzamide C2=C(OCCN(C)C)C=CC(CNC(=O)C1=CC(OC)=C(OC)C(OC)=C1)=C2
5.33000 Trimethoprim C2(OC)=C(OC)C=C(CC1=C(N)N=C(N)N=C1)C=C2OC
50.00000 Trimetozine C2OCCN(C(=O)C1=CC(OC)=C(OC)C(OC)=C1)C2
1.22000 Trimetrexate C2=C(CNC1=CC(OC)=C(OC)C(OC)=C1)C(C)=C3C(=C2)N=C(N)N=C3N
3.33000 Trimipramine N1(CC(C)CN(C)C)C3=C(CCC2=C1C=CC=C2)C=CC=C3
0.16700 Trioxsalen C1(=O)C=C(C)C2=C(O1)C(C)=C3C(=C2)C=C(C)O3
10.00000 Tripelennamine C2=CC=CC(CN(CCN(C)C)C1=NC=CC=C1)=C2
0.16700 Triprolidine C3=CC=NC(C(=CCN1CCCC1)C2=CC=C(C)C=C2)=C3
10.00000 Troglitazone C1(C)=C(O)C(C)=C4C(=C1C)OC(C)(COC3=CC=C(CC2SC(=O)NC2=O)C=C3)CC4
10.00000 Trolamine N(CCO)(CCO)CCO
33.30000 Troleandomycin C3(C)C(=O)C4(CC(C)C(OC1OC(C)CC(N(C)C)C1OC(C)=O)C(C)C(OC2OC(C)C(OC(C)=O)C(OC)C2)C(C)C(=O)OC(C)C(C)C3OC(C)=O)OC4
0.26700 Trolnitrate C(ON(=O)=O)CN(CCON(=O)=O)CCON(=O)=O
300.00000 Tromethamine NC(CO)(CO)CO
0.20000 Trospium chloride C(=O)(C(O)(C1=CC=CC=C1)C2=CC=CC=C2)OC3CC4[N+]5(C(C3)CC4)CCCC5
5.00000 Troxipide C2(C(=O)NC1CNCCC1)=CC(OC)=C(OC)C(OC)=C2
100.00000 Tryptophan C1C=CC2=C(C=1)C(CC(N)C(O)=O)=CN2
0.66700 Tubocurarine C1C(OC)=C(O)C4=C2C=1CC[N+](C)(C)C2CC3=CC=C(O)C(=C3)OC7C(OC)=CC6CC[N+](C)([H])C(CC5=CC=C(O4)C=C5)C=6C=7
50.00000 Tybamate CCCCNC(=O)OCC(C)(COC(N)=O)CCC
50.00000 Tyropanoic acid C1(NC(=O)CCC)=C(I)C=C(I)C(CC(C(O)=O)CC)=C1I
100.00000 Tyrosine C1=C(O)C=CC(CC(N)C(O)=O)=C1
10.00000  Ursodiol C1C(O)CC2C(C)(C1)C3C(C(O)C2)C4C(C)(CC3)C(C(C)CCC(=O)O)CC4
50.00000 Valacyclovir N1C(N)=NC2C(C1=O)N=CN2COCCOC(=O)C(N)C(C)C
41.70000 Valproic acid C(=O)(O)C(CCC)CCC
33.30000 Valpromide CCCC(C(N)=O)CCC
5.33000 Valsartan C3(C1=CC=C(CN(C(C(=O)O)C(C)C)C(=O)CCCC)C=C1)=CC=CC=C3C2NN=NN=2
0.10000 Vecuronium bromide C2(N1CCCCC1)C(OC(C)=O)CC3C(C)(C2)C4C(CC3)C6C(C)(CC4)C(OC(C)=O)C([N+]5(C)CCCCC5)C6
6.25000 Venlafaxine C(C1(O)CCCCC1)(C2C=CC(OC)=CC=2)CN(C)C
3.33000 Vinbarbital C1(=O)C(CC)(C(C)=CCC)C(=O)NC(=O)N1
0.10800 Vindesine C129C8([H])C(CC)(C(O)C(O)(C(N)=O)C1([H])N(C)C7=C2C=C(C5(C(=O)OC)C3=C(C4=C(N3)C=CC=C4)CCN6CC(C5)CC(O)(CC)C6)C(OC)=C7)C=CCN8CC9
0.50000 Vinpocetine C1=CC=C2C(=C1)C4=C3N2C(C(=O)OCC)=CC5(CC)C3N(CC4)CCC5
66.70000 Viomycin C2(C1NC(=O)C(=CNC(N)=O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(NC(=O)CC(N)CCCN)CNC1=O)CC(O)NC(N)=N2
0.16700 Warfarin C1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
25.00000 Xanthinol niacinate N1(C)C(=O)N(C)C2=C(C1=O)N(CC(O)CN(C)CCO)C=N2
0.66700 Xipamide C2(S(N)(=O)=O)=C(Cl)C=C(O)C(C(=O)NC1=C(C)C=CC=C1C)=C2
417.00000 Xylose C1C(O)C(O)C(O)C(O)O1
0.66700 Zafirlukast C5=CC=CC(C)=C5S(=O)(=O)NC(=O)C4=CC=C(CC1=CN(C)C3=C1C=C(NC(=O)OC2CCCC2)C=C3)C(OC)=C4
0.03750 Zalcitibine N2C(=O)N(C1CCC(CO)O1)C=CC=2N
0.50000 Zaleplon C3=CC(C1=CC=NC2N1N=CC=2C#N)=CC(N(CC)C(=O)C)=C3
0.33300 Zanamivir C1C(NC(N)=N)C(NC(C)=O)C([H])(C(O)C(O)CO)OC=1C(=O)O
0.00050 Zeranol C1=C(O)C=C2C(=C1O)C(=O)OC(C)CCCC(O)CCCCC2
10.00000 Zidovudine N2C(=O)N(C1CC(N=N#N)C(CO)O1)C=C(C)C2=O
40.00000 Zileuton C1(C(C)N(O)C(=O)N)SC2=C(C=1)C=CC=C2
2.67000 Ziprasidone C1=CC=C5C(=C1)SN=C5N4CCN(CCC2=C(Cl)C=C3C(=C2)CC(=O)N3)CC4
10.00000 Zomepirac C2=C(Cl)C=CC(C(=O)C1N(C)C(CC(O)=O)=CC=1C)=C2
7.00000 Zorubicin C1C=C(OC)C2=C(C=1)C(=O)C3=C(C2=O)C(O)=C6C(=C3O)CC(O)(C(C)=NNC(=O)C4=CC=CC=C4)CC6OC5CC(N)C(O)C(C)O5
7.50000 Zotepine C1(Cl)=CC=C2C(=C1)C(OCCN(C)C)=CC3=C(S2)C=CC=C3