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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 |