CASEINECSChemical NameSMILES
10049-04-4233-162-8Chlorine dioxide [O]Cl=O |^1:0|
108-88-3203-625-9Toluene Cc1ccccc1
109-86-4203-713-7Methoxyethanol, 2-COCCO
111-94-4203-922-3IminodiproprionitrileN#CCCNCCC#N
112-36-7203-963-7Diethylene glycol diethyl ether CCOCCOCCOCC
116-06-3204-123-2Aldicarb CNC(=O)O\N=C\C(C)(C)SC
118-74-1204-273-9Hexachlorobenzene Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
124-94-7204-718-7Triamcinolone [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
12427-38-2235-654-8Maneb[Mn++].[S-]C(=S)NCCNC([S-])=S
127-07-1204-821-7Hydroxyurea NC(=O)NO
128-37-0204-881-4Butylated hydroxytoluene Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
134-62-3205-149-7DEET CCN(CC)C(=O)c1cccc(C)c1
13494-80-9236-813-4Tellurium [Te]
143-50-0205-601-3Chlordecone ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl
1461-22-9215-958-7Tributyltin chloride CCCC[Sn](Cl)(CCCC)CCCC
147-94-4205-705-9Cytosine arabinosideNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
150-30-1205-756-7PhenylalanineNC(Cc1ccccc1)C(=O)O
1502-95-0216-124-5Diamorphine hydrochlorideCl.[H][C@@]12OC3=C(OC(C)=O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2OC(C)=O
151-67-7205-796-5HalothaneFC(F)(F)C(Cl)Br
16590-41-3240-649-9Naltrexone [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O
17804-35-2241-775-7Benomyl CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2
22839-47-0245-261-3AspartameCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O
25013-16-5246-563-8Butylated hydroxyanisol C(C)(*)(C)C.c1(ccc(O)cc1)OC
28434-00-6249-013-5Bioallethrin CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C
298-46-4206-062-7CarbamazepineNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
300-62-9206-096-2Amphetamine, d-CC(N)CC1=CC=CC=C1
320-67-2206-280-2AzacytidineNC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
329-89-5206-349-76-AminonicotinamideNC(=O)c1ccc(N)nc1
333-41-5206-373-8DiazinonCCO[P](=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C
36311-69-0Bis(tri-n-butyltin)oxide
36643-27-3Triethyltin CC[Sn+](CC)CC
439-14-5207-122-5DiazepamC=1(c2c(N(C)C(CN1)=O)ccc(c2)Cl)c1ccccc1
465-65-6207-365-7Naloxone [H][C@@]12OC3=C4C(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)=CC=C3O
477-30-5207-514-6Colcemid CN[C@H]1CCC2=CC(OC)=C(OC)C(OC)=C2C2=CC=C(OC)C(=O)C=C12
50-35-1200-031-1Thalidomide O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
50-37-3200-033-2LSD[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N(CC)CC
50-53-3200-045-8ChlorpromazineCN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2
5089-96-3Trimethyltin C[Sn+](C)C
51-21-8200-085-6Fluourouracil, 5-FC1=CNC(=O)NC1=O
51-52-5200-103-2Propylthiouracil CCCc1cc(=O)[nH]c(=S)[nH]1
51-79-6200-123-1Urethane CCOC(=O)N
52-68-6200-149-3Trichlorfon COP(=O)(OC)C(O)C(Cl)(Cl)Cl
52-86-8200-155-6Haloperiodol OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
5224-23-7Triethyllead CC[Pb](CC)CC |^1:2|
52645-53-1258-067-9PermethrinCC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1
54-11-5200-193-3NicotineCN1CCC[C@H]1C1=CN=CC=C1
56-38-2200-271-7Parathion P(Oc1ccc([N+](=O)[O-])cc1)(OCC)(OCC)=S
56-53-1200-278-5DiethylstilbestrolCC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
57-22-7200-318-1VincristineCC[C@]1(O)C[C@H]2C[N@@](C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@@H]7[C@]68CC[N@]9CC=C[C@@](CC)([C@@H]89)[C@@H](OC(C)=O)[C@]7(O)C(=O)OC
58-25-3200-371-0ChlordiazepoxideCNC1=Nc2ccc(Cl)cc2C(c3ccccc3)=[N+]([O-])C1
58-89-9200-401-2Lindane Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
584-79-2209-542-4Allethrin CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
60-56-0200-482-4Methimazole [H][C@]12C[C@]([H])([C@@H]3O[C@H]13)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl
60-57-1200-484-5Dieldrin[H][C@]12C[C@]([H])([C@@H]3O[C@H]13)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl
62229-50-9263-468-7Epidermal Growth Factor N([C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CC(C)C)CCC(=O)O)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CC(C)C)CC(=O)O)CCCNC(=N)N)[C@@H](O)C)CCC(=O)N)CS)CCCNC(=N)N)CC(=O)O)CO)Cc1ccc(cc1)O)[C@@H](C)CC)[C@@H](C)C)CS)CC(=O)N)CS)[C@@H](O)C)Cc1ccc(cc1)O)CO)CC(=O)O)CC(C)C)CO)CCC(=O)O)[C@@H](C)CC)Cc1[nH]cnc1)CCSC)CS)[C@@H](C)C)CC(=O)N)CC(C)C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)CNC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CO)Cc2ccc(cc2)O)CCC1)CS)CO)CO)Cc1ccc(cc1)O)CC(=O)O)Cc1ccc(cc1)O)CS
63-36-5Salicylate OC(=O)c1ccccc1O
630-08-0211-128-3Carbon monoxide [C]#[O] |^1:0|
64-86-8200-598-5ColchicineCOC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1
67-56-1200-659-6MethanolOC
71-43-2200-753-7Benzene c1ccccc1
72-57-1200-786-7Trypan blue c12c(cc(c(c1O)/N=N/c1c(cc(cc1)c1cc(c(cc1)/N=N/c1c(cc3c(c1O)c(cc(c3)S(=O)(=O)[O-])N)S(=O)(=O)[O-])C)C)S(=O)(=O)[O-])cc(cc2N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
7429-90-5231-072-3Aluminum [AlH3]
76-44-8200-962-3Heptachlor ClC1C=CC2C1C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl
76-99-3200-996-9Methadone CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2
7631-42-7Phenylacetate [O-]C(=O)CC1=CC=CC=C1
79-01-6201-167-4Trichloroethylene Cl\C=C(/Cl)Cl
79-06-1201-173-7AcrylamideNC(=O)C=C
96-45-7202-506-9Ethylenethiourea S=C1NCCN1
N:4-47Methylazoxymethanol Monosodium glutamate
N:4-52PCBs
N:4-56Phthalates