jablonkagroup/sr_are_tox21 · Datasets at Hugging Face

The molecule with the SMILES O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES c1ccoc1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of CCCCCCCCCCCCC1CO1 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES C=CC1CO1 is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of CC(C)CC(C)N is not toxic in the SR-ARE assay.

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The molecule with the SMILES CCCCCCCCSCCO is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12 is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES CCN1CN(CC)CN(CC)C1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES Cc1ncc([N+](=O)[O-])n1CC(O)CCl is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES O=C/C(Cl)=C(/Cl)C(=O)O is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES Cl[C@H]1OCCO[C@@H]1Cl is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of CCCCCC(=O)OCC is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of CCCCOC(C)=O is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of CCCCCCCCCCCCN is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES CCC(C)(CCC(C)C)C(=O)O is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of O=c1[nH]c(=O)c2c[nH]nc2[nH]1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES CC(C)CCCC(C)(C)O is not toxic in the SR-ARE assay.

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The molecule with the SMILES CCC/C=C/C=O is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of Cc1occc1S is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES Cc1ccc2c(c1)CCCN2 is not toxic in the SR-ARE assay.

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The molecule with the SMILES O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of Cl[Yb](Cl)Cl is not toxic in the SR-ARE assay.

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The molecule with the SMILES C=CC(C)(C)CC(=O)OC is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1 is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of C=C(C)C(=O)OCCCCCC is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES O=[N+]([O-])c1ccccc1-c1ccccc1 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES N=C(N)N.N=C(N)N.O=C(O)O is not toxic in the SR-ARE assay.

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The molecule with the SMILES CCCCCCCCCCCCCCCCC(=O)O is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of NS(=O)(=O)O is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of [PbH2+2] is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES CC(C)(C)N(CCO)CCO is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES C=C(C)C(=O)OCCCCCCCCCCCCC is not toxic in the SR-ARE assay.

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The molecule with the SMILES C=CC(C)CCC=C(C)C is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of C=CCCCCCCCCCCC is not toxic in the SR-ARE assay.

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The molecule with the SMILES CCCN(CCC)CCc1c[nH]c2ccccc12 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of CCN(CC)CCc1c[nH]c2ccccc12.CCN(CC)CCc1c[nH]c2ccccc12 is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1 is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of O=C1O[C@@H]2[C@@H](O)[C@H](O)O[C@@H]2[C@H]1O is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES c1ccc(CN2CCNCC2)cc1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES CCn1ccnc1CC1COc2ccccc2O1 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES O=C([O-])C1O[Sb]2OC(=O)C(O2)C(C(=O)[O-])O[Sb]2OC(=O)C1O2 is toxic in the Antioxidant response element assay.

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The molecule with the SMILES O=C1c2ccccc2C(=O)c2ccccc21 is not toxic in the SR-ARE assay.

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The molecule with the SMILES C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES CC(Cc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES C[C@H]1N=C(N)O[C@H]1c1ccccc1 is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of C=CCOC(C)=O is not toxic in the SR-ARE assay.

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The molecule with the SMILES CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of Oc1ccccc1-c1ccccc1 is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of O=C1OC(=O)c2ccccc21 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of CCCCCCCCCCN is not toxic in the SR-ARE assay.

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The molecule with the SMILES Clc1nc(Cl)c(Cl)c(Cl)c1Cl is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of O=C(c1ccccc1)C1(O)CCCCC1 is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES CN1Cc2c(N)cccc2C(c2ccccc2)C1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of CC(C)OC(=O)CCC(=O)OC(C)C is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of COC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-] is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of OC[C@H](O)[C@H](O)CO is not toxic in the SR-ARE assay.

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The molecule with the SMILES C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C is toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES N[C@@H](CS)C(=O)O is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES CN(C)N=Nc1nc[nH]c1C(N)=O is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of CC(C)(O)C(Cl)(Cl)Cl is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of CCC(C)CCCC(C)(C)O is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21 is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1 is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES CCCSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[C@H](N(C)[C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of NC(=O)c1nc(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[n-]1 is toxic in the Antioxidant response element assay.

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The molecule with the SMILES Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1 is toxic in the Antioxidant response element assay.

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The molecule with the SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 is toxic in the SR-ARE assay.

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The molecule with the SMILES representation of C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O is toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES NC[C@H]1CC[C@H](C(=O)Oc2ccc(CCC(=O)O)cc2)CC1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of CCCCCCCCCCCC[N+](C)(C)C is toxic in the Antioxidant response element assay.

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The molecule with the SMILES CCO[Si](CCCNC(N)=O)(OCC)OCC is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of CC/C=C\CCCCCO is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of CCCCCc1cccc(=O)o1 is toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES O=C([O-])c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 is not toxic in the SR-Antioxidant response element assay.

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The molecule with the SMILES representation of O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1 is toxic in the SR-ARE assay.

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The molecule with the SMILES CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of O=C1CCCCCCCCCCCCCCO1 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES representation of c1ccc(CNCc2ccccc2)cc1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES representation of CC[N+]1(C)CCCC1 is not toxic in the Antioxidant response element assay.

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The molecule with the SMILES CCCC[N+]1(C)CCCC1 is not toxic in the SR-ARE assay.

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The molecule with the SMILES CCCC[N+]1(C)CCCC1.N#CN=C=[N-] is not toxic in the SR-ARE assay.

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The molecule with the SMILES CCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F is not toxic in the SR-Antioxidant response element assay.

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