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Japanese TGx project: TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) The Toxicogenomics Project (TGP) has established a large-scale toxicogenomics database known as TG-GATEs The primary goal of the TGP was to create a gene expression database by using the Affymetrix GeneChips of 150 chemicals, mainly medical drugs and the main target organ was the liver. The TGP was completed in 2007. The entire system consists of a database, an analysis system, and a prediction system and is named as TG-Genomics-Assisted Toxicity Evaluation System. 1 2 3 (1 chemicals) download  excel file 
CASEINECSChemical NameSMILES
10238-21-8 233-570-6GlibenclamideCOc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3
103-90-2 203-157-54-Acetamidophenolc1(ccc(cc1)O)NC(=O)C
1069-66-5 213-961-8Pentanoic Acid, 2-Propyl-, Sodium Salt (1:1)C(CCC)(CCC)C(=O)[O-].[Na+]
107-18-6 203-470-7Allyl AlcoholOCC=C
1070-11-7 213-970-7[S-(R*,R*)]-2,2'-(Ethylenediimino)Dibutan-1-Ol DihydrochlorideCCC(CO)NCCNC(CC)CO
108-86-1 203-623-8BromobenzeneBrc1ccccc1
1083-57-4 214-109-8BucetinCCOc1ccc(NC(=O)CC(C)O)cc1
11103-57-4 234-328-2Vitamin AC\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
1115-70-4 214-230-6Metformin HydrochlorideCN(C)C(=N)NC(=N)N
113-52-0 204-030-7Imipramine HydrochlorideCN(C)CCCN1c2ccccc2CCc3ccccc13
118-74-1 204-273-9HexachlorobenzeneClc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
1229-29-4 214-966-8Doxepin HydrochlorideCN(C)CC\C=C\1/c2ccccc2COc3ccccc13
126-07-8 204-767-4GriseofulvinCOC1=CC(=O)C[C@@H](C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O
1264-62-6 215-033-8Erythromycin Ethyl SuccinateCCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
127-48-0 204-845-8TrimethadioneCN1C(=O)OC(C)(C)C1=O
130-61-0 204-992-8Thioridazine Hydrochloridec1cc2N(CC[C@@H]3[N@@](C)CCCC3)c3c(Sc2cc1)ccc(c3)SC.Cl
13010-47-4 235-859-2LomustineClCCN(N=O)C(=O)NC1CCCCC1
13292-46-1 236-312-0Rifampicin[H][C@]1(OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)C(=O)NC2=C(\C=N\N3CCN(C)CC3)C(O)=C3C4=C(O[C@](C)(O\C=C\[C@H](OC)[C@H]1C)C4=O)C(C)=C(O)C3=C2O
13311-84-7 236-341-9FlutamideCC(C)C(=O)NC1=CC(=C(C=C1)[N](=O)=O)C(F)(F)F
135-23-9 205-184-8Methapyrilene HydrochlorideCN(C)CCN(Cc1cccs1)c2ccccn2.Cl
1401-55-4 215-753-2Tannic Acidc1c(cc(c(c1O)O)O)C(=O)Oc1cc(cc(c1O)O)C(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O
1404-93-9 604-193-8Vancomycin, HydrochlorideCl.[H][C@@]1(C[C@](C)(N)[C@H](O)[C@H](C)O1)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC1=C2OC3=CC=C(C=C3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]3([H])C(C=C1OC1=CC=C(C=C1Cl)[C@@H](O)[C@]1([H])NC(=O)[C@]([H])(NC3=O)C3=CC(=C(O)C=C3)C3=C(C=C(O)C=C3O)[C@]([H])(NC1=O)C(O)=O)=C2
1405-41-0 215-778-9Gentamicin, Sulfate (Salt)CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O
146-56-5 205-674-1Fluphenazine DihydrochlorideOCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
15307-79-6 239-346-4Diclofenac Sodium[Na].OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl
15663-27-1 239-733-8Platinum, Diamminedichloro-, (Sp-4-2)-[Pt+2]([NH3])([Cl-])([Cl-])[NH3]
15676-16-1 239-753-7(±)-SulpirideCCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
15687-27-1 239-784-6Benzeneacetic Acid, α-Methyl-4-(2-Methylpropyl)-CC(C)Cc1ccc(cc1)C(C)C(=O)O
1684-40-8 216-867-51,2,3,4-Tetrahydroacridin-9-Amine MonohydrochlorideNc1c2CCCCc2nc3ccccc13
17230-88-5 241-270-1DanazolC[C@]12Cc3cnoc3C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C
17321-77-6 241-344-3Clomipramine HydrochlorideCN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13
1953-02-2 217-778-4TioproninC[C@@H](C(NCC(O)=O)=O)S
19774-82-4 243-293-2Amiodarone Hydrochloridec1(c2c(cccc2)oc1CCCC)C(c1cc(c(OCC[NH+](CC)CC)c(c1)I)I)=O.[ClH-]
20187-55-7 243-569-2BendazacOC(=O)COc1nn(Cc2ccccc2)c3ccccc13
2152-34-3 218-438-8PemolineNC1=NC(=O)C(O1)c2ccccc2
21829-25-4 244-598-3NifedipineCOC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C
2192-20-3 218-586-3Hydroxyzine HydrochlorideO(CCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(cc1)Cl)CCO.Cl.Cl
22204-53-1 244-838-7NaproxenCOc1ccc2cc(ccc2c1)[C@H](C)C(=O)O
2438-32-6 219-450-6(±)-Chlorpheniramine Maleatec1cc([C@H](CCN(C)C)c2ccccn2)ccc1Cl.OC(\C=C/C(O)=O)=O
24868-20-0 Dantrolene Sodium Hemiheptahydratec1(c2ccc([N+](=O)[O-])cc2)oc(\C=N\N2CC(=O)[NH-]C2=O)cc1.[Na+]
25316-40-9 246-818-3(8s-Cis)-10-[(3-Amino-2,3,6-Trideoxy-Alpha-L-Lyxo-Hexopyranosyl)Oxy]-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-8-(Hydroxyacetyl)-1-Methoxynaphthacene-5,12-Dione HydrochlorideC[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O.Cl
2576-47-8 219-924-22-Bromoethylamine HydrobromideC(C[NH3+])Br.[BrH-]
25812-30-0 247-280-2GemfibrozilCc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
28911-01-5 249-307-3TriazolamCc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12
298-46-4 206-062-7CarbazepineNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
302-22-7 206-118-0Chlormadinone AcetateCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C
305-33-9 206-164-1Iproniazid PhosphateCC(C)NNC(=O)c1ccncc1
315-22-0 MonocrotalineC=12[C@@H]3[C@@H](CC[N@@]3CC1)OC([C@@H]([C@@](C)(O)[C@@](C(OC2)=O)(C)O)C)=O
315-30-0 206-250-9AllopurinolOc1ncnc2[nH]ncc12
32780-64-6 251-211-15-[1-Hydroxy-2-[(1-Methyl-3-Phenylpropyl)Amino]Ethyl]Salicylamide MonohydrochlorideCC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N
33286-22-5 251-443-3(2s-Cis)-3-Acetoxy-5-[2-(Dimethylamino)Ethyl]-2,3-Dihydro-2-(4-Methoxyphenyl)-1,5-Benzothiazepin-4(5h)-One MonohydrochlorideCOc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
33419-42-0 251-509-1EtoposideCOc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26
3562-84-3 222-630-7BenzbromaroneCCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3
3737-09-5 223-110-2Disopyramiden1ccccc1C(c2ccccc2)(C(=O)N)CCN(C(C)C)C(C)C
38194-50-2 253-819-2SulindacCC1=C(CC(=O)O)c2cc(F)ccc2/C/1=C\c3ccc(cc3)S(=O)C
396-01-0 206-904-3TriamtereneNc1nc(N)c2nc(c(N)nc2n1)c3ccccc3
41575-94-4 255-446-0Diammine[Cyclobutane-1,1-Dicarboxylato(2-)-O,O']PlatinumC12(C(O[Pt](OC1=O)([NH3])[NH3])=O)CCC2
4360-12-7 224-439-4AjmalineCC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]46C[C@@H](C2[C@H]6O)N3[C@@H]1O
439-14-5 207-122-5DiazepamC=1(c2c(N(C)C(CN1)=O)ccc(c2)Cl)c1ccccc1
446-86-6 207-175-4AzathioprineCn1cnc(c1Sc2ncnc3nc[nH]c23)[N+](=O)[O-]
49562-28-9 256-376-3FenofibrateCC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2
50-33-9 200-029-0PhenylbutazoneCCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
50-54-4 200-046-3Quinidine SulphateS(=O)(O)(O)=O.c12c([C@@H]([C@@H]3[N@@]4C[C@H](C=C)[C@@H](C3)CC4)O)ccnc1ccc(OC)c2.c12c([C@@H]([C@@H]3[N@@]4C[C@H](C=C)[C@@H](C3)CC4)O)ccnc1ccc(c2)OC
50-78-2 200-064-1Acetylsalicylic AcidO=C(Oc(c(ccc1)C(=O)O)c1)C
50892-23-4 Pirinixic AcidCc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
51-52-5 200-103-2PropylthiouracilCCCc1cc(=O)[nH]c(=S)[nH]1
51481-61-9 257-232-2CimetidineCN\C(=N\C#N)\NCCSCc1nc[nH]c1C
51803-78-2 257-431-4NimesulideCS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]
52-67-5 200-148-8PenicillamineCC(C)(S)[C@@H](N)C(O)=O
52-86-8 200-155-6HaloperidolOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
53-86-1 200-186-5IndometacinCOc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
53-96-3 200-188-6Acetamide, N-9h-Fluoren-2-Yl-CC(=O)Nc1ccc2c(Cc3ccccc23)c1
536-33-4 208-628-9EthionamideCCc1cc(ccn1)C(=S)N
5370-01-4 226-362-1Mexiletine HydrochlorideCl.c1c(C)c(OC[C@@H](C)N)c(C)cc1
53885-35-1 258-837-45-(O-Chlorobenzyl)-4,5,6,7-Tetrahydrothieno[3,2-C]Pyridinium ChlorideClc1ccccc1CN2CCc3sccc3C2
54-31-9 200-203-6FurosemideNS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl
54-85-3 200-214-6IsoniazidNNC(=O)c1ccncc1
549-18-8 208-964-6Amitriptyline HydrochlorideCl.CN(C)CC\C=C1/c2ccccc2CCc3ccccc13
54965-24-1 259-415-2(Z)-[2-[4-(1,2-Diphenylbut-1-Enyl)Phenoxy]Ethyl]Dimethylammonium Dihydrogen 2-Hydroxypropane-1,2,3-TricarboxylateCC/C(=C(c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
55-18-5 200-226-1DiethylnitrosoamineCCN(CC)N=O
551-06-4 208-990-81-Naphthyl Isothiocyanatec1ccc2c(c1)cccc2N=C=S
555-30-6 209-089-2MethyldopaC(O)(=O)[C@@](Cc1cc(c(O)cc1)O)(C)N
56-23-5 200-262-8Carbon TetrachlorideClC(Cl)(Cl)Cl
56-75-7 200-287-4Chloramphenicolc1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
57-30-7 200-322-3Phenobarbital Sodiumc1([C@@]2(C(NC([O-])=NC2=O)=O)CC)ccccc1.[Na+]
57-41-0 200-328-6PhenytoinO=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
57-63-6 200-342-2Ethinylestradiol[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
58-08-2 200-362-1CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
58-18-4 200-366-3Methyltestosterone[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
58-33-3 200-375-2Promethazine HydrochlorideN1(c2c(Sc3c1cccc3)cccc2)CC(N(C)C)C.Cl
58-55-9 200-385-7Theophyllinec12c(n(c(=O)n(c1=O)C)C)nc[nH]2
58-60-6 200-388-33'-Amino-3'-Deoxy-N,N-DimethyladenosineCN(C)c1ncnc2c1ncn2[C@@H]3O[C@H](CO)C(N)[C@H]3O
58-71-9 200-394-6Cefalotin SodiumN12[C@@H]([C@@H](NC(Cc3cccs3)=O)C2=O)SCC(=C1C(=O)[O-])COC(C)=O.[Na+]
59-05-2 200-413-8MethotrexateCN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O
59-66-5 200-440-5AcetazolamideCC(=O)Nc1nnc(s1)S(=O)(=O)N
59-67-6 200-441-0Nicotinic Acidc1(cccnc1)C(O)=O
59-87-0 200-443-1NitrofuralNC(=O)N\N=C\c1oc(cc1)[N+](=O)[O-]
59865-13-3 611-907-1Cyclosporine[H][C@]1(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C1=O)C(C)C
599-79-1 209-974-3SalazosulfapyridineOC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3
60-56-0 200-482-4Thiamazole[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
6055-19-2 Cyclophosphamide (Hydrated)C1CNP(=O)(OC1)N(CCCl)CCCl.O
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