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stringlengths 65
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stringlengths 65
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stringclasses 1
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sequencelengths 0
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The molecule with the SMILES c1ccc2c(c1)Cc1ccccc1-2 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES c1ccc2c(c1)Cc1ccccc1-2 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCCCCCCC(=O)O is not toxic in the SR-ARE assay. | The molecule with the SMILES CCCCCCCCC(=O)O is not toxic in the SR-ARE assay. | [] | null |
|
The molecule with the SMILES C=CC(=O)OCCO is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES C=CC(=O)OCCO is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of S=C([S-])NCCNC(=S)[S-] is toxic in the SR-ARE assay. | The molecule with the SMILES representation of S=C([S-])NCCNC(=S)[S-] is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCOc1ccc2c(c1)C(C)CC(C)(C)N2 is not toxic in the SR-ARE assay. | The molecule with the SMILES CCOc1ccc2c(c1)C(C)CC(C)(C)N2 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCC(C)(CCC(C)C)C(=O)O[Sn](C)(C)OC(=O)C(C)(CC)CCC(C)C is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCC(C)(CCC(C)C)C(=O)O[Sn](C)(C)OC(=O)C(C)(CC)CCC(C)C is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCNCCC is not toxic in the SR-ARE assay. | The molecule with the SMILES CCCNCCC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of OC1CCCCCCCCCCC1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of OC1CCCCCCCCCCC1 is not toxic in the SR-ARE assay. | [] | null |
|
The molecule with the SMILES COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C#CCO is not toxic in the Antioxidant response element assay. | The molecule with the SMILES C#CCO is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of NNC(=O)c1cccnc1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of NNC(=O)c1cccnc1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CNCCO is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CNCCO is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC/C=C\CCCCO is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CC/C=C\CCCCO is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(=O)OC1C2(C)CCC(C2)C1(C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC(=O)OC1C2(C)CCC(C2)C1(C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CC1=C(C=O)C(C)(C)CC=C1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CC1=C(C=O)C(C)(C)CC=C1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES COC(CC(C)CCCC(C)(C)O)OC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES COC(CC(C)CCCC(C)(C)O)OC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1cc(-c2ccc(N)c(C)c2)ccc1N is toxic in the Antioxidant response element assay. | The molecule with the SMILES Cc1cc(-c2ccc(N)c(C)c2)ccc1N is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCCCC(=O)O is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCCCCCC(=O)O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CN(C)c1ccncc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES CN(C)c1ccncc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C is toxic in the SR-ARE assay. | The molecule with the SMILES CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCCC1CCOC(C)S1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCCC1CCOC(C)S1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES OCC1CCCO1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES OCC1CCCO1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=CCCCCCCCCOC(C)=O is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of C=CCCCCCCCCOC(C)=O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES O=c1[nH]c2ccccc2n1C1CCNCC1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES O=c1[nH]c2ccccc2n1C1CCNCC1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCO[PH](=O)OCCCC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCO[PH](=O)OCCCC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=NN1CCN(N=O)CC1 is not toxic in the SR-ARE assay. | The molecule with the SMILES O=NN1CCN(N=O)CC1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CCCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F is not toxic in the Antioxidant response element assay. | [] | null |
|
The molecule with the SMILES CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES OC(CCl)CCl is not toxic in the Antioxidant response element assay. | The molecule with the SMILES OC(CCl)CCl is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C=C(C)C(=O)OCCOP(=O)(O)O is not toxic in the SR-ARE assay. | The molecule with the SMILES C=C(C)C(=O)OCCOP(=O)(O)O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCC(C)C=O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CCC(C)C=O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C=CC(C)(CCC=C(C)C)OC(C)=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES C=CC(C)(CCC=C(C)C)OC(C)=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(CC(=O)O)CC(C)(C)C is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC(CC(=O)O)CC(C)(C)C is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of N#CCC(=O)O is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of N#CCC(=O)O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CNC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CNC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of COc1ccc2[nH]cc(CCNC(C)=O)c2c1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of COc1ccc2[nH]cc(CCNC(C)=O)c2c1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of O=C1CCCN1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=C1CCCN1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C1=CCCC=CCCC=CCC1 is not toxic in the SR-ARE assay. | The molecule with the SMILES C1=CCCC=CCCC=CCC1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CC1=CC(=O)CCC1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC1=CC(=O)CCC1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCCCCOC(C)=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCCCCCOC(C)=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of OCCCl is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of OCCCl is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C is not toxic in the Antioxidant response element assay. | [] | null |
|
The molecule with the SMILES COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC is not toxic in the SR-ARE assay. | The molecule with the SMILES COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of NCC1(CC(=O)O)CCCCC1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of NCC1(CC(=O)O)CCCCC1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES O=[Se](O)O is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES O=[Se](O)O is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCC[Si](OC)(OC)OC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCC[Si](OC)(OC)OC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCOC(OCCC)OCCC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCCOC(OCCC)OCCC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES OCCSCCO is not toxic in the SR-ARE assay. | The molecule with the SMILES OCCSCCO is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CN=C=O is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CN=C=O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of C=CC(=O)CCCCC is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of C=CC(=O)CCCCC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC1CN1 is not toxic in the SR-ARE assay. | The molecule with the SMILES CC1CN1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES COC(C)(C)CC(C)=O is not toxic in the SR-ARE assay. | The molecule with the SMILES COC(C)(C)CC(C)=O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of OCCc1ccncc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of OCCc1ccncc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of O=S(=O)([O-])OOS(=O)(=O)[O-] is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=S(=O)([O-])OOS(=O)(=O)[O-] is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCC[N+]1(C)CCCC1.O=S(=O)([O-])C(F)(F)F is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCC[N+]1(C)CCCC1.O=S(=O)([O-])C(F)(F)F is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Cc1cccc(Nc2ccccc2)c1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of Cc1cccc(Nc2ccccc2)c1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1 is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES NCc1ccccc1Sc1ccccc1CO is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES NCc1ccccc1Sc1ccccc1CO is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(C)=CCCC(C)=CC=O is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(C)=CCCC(C)=CC=O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES C[C@@H](O)[C@H](N)C(=O)O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES C[C@@H](O)[C@H](N)C(=O)O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C=CCNCC=C is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES C=CCNCC=C is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C=CCN=C=S is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES C=CCN=C=S is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCC(=O)C(=O)CC is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCC(=O)C(=O)CC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=C1CCCN1CCO is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES O=C1CCCN1CCO is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C/C=C(\C)C(C)=O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of C/C=C(\C)C(C)=O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=C(C)C(=O)OCCOC1CC2CC1C1C=CCC21 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of C=C(C)C(=O)OCCOC1CC2CC1C1C=CCC21 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C=CCCCC is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES C=CCCCC is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of NC(=O)NC(N)=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of NC(=O)NC(N)=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=S(=O)([O-])[O-].[Na+].[Na+] is not toxic in the Antioxidant response element assay. | The molecule with the SMILES O=S(=O)([O-])[O-].[Na+].[Na+] is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Nc1nc(=O)c2ncn(CCC(CO)CO)c2[nH]1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of Nc1nc(=O)c2ncn(CCC(CO)CO)c2[nH]1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-] is not toxic in the Antioxidant response element assay. | The molecule with the SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-] is not toxic in the Antioxidant response element assay. | [] | null |
|
The molecule with the SMILES CCCN(CCC)CCc1cccc2c1CC(=O)N2 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCCN(CCC)CCc1cccc2c1CC(=O)N2 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Oc1ncnc2[nH]ncc12 is not toxic in the SR-ARE assay. | The molecule with the SMILES Oc1ncnc2[nH]ncc12 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of [Ni+2] is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of [Ni+2] is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] is toxic in the SR-ARE assay. | The molecule with the SMILES O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=C(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of C=C(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCOC(=O)c1cccnc1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCOC(=O)c1cccnc1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCC(CC)COS(=O)(=O)[O-] is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCCCC(CC)COS(=O)(=O)[O-] is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCCN(CCCC)N=O is not toxic in the SR-ARE assay. | The molecule with the SMILES CCCCN(CCCC)N=O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of O=C1CC(c2ccc(Cl)cc2)CC(=O)N1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=C1CC(c2ccc(Cl)cc2)CC(=O)N1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCOC(=O)CC(C)C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCOC(=O)CC(C)C is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Cc1nc[nH]c1CN1CCc2c(c3ccccc3n2C)C1=O is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of Cc1nc[nH]c1CN1CCc2c(c3ccccc3n2C)C1=O is not toxic in the SR-ARE assay. | [] | null |
Subsets and Splits