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stringlengths 65
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stringlengths 65
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stringclasses 1
value | answer_choices
sequencelengths 0
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|---|---|---|---|---|
The molecule with the SMILES OCCOCCO is not toxic in the Antioxidant response element assay. | The molecule with the SMILES OCCOCCO is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C)(C)S is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC(C)(C)S is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of O=C(OCc1ccccc1)c1ccc(O)cc1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=C(OCc1ccccc1)c1ccc(O)cc1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCCCCC/C=C\CCCCCCCC(=O)O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCCCCC/C=C\CCCCCCCC(=O)O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CN1C(=O)C(C)(C2=CCCCC2)C(=O)N=C1O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CN1C(=O)C(C)(C2=CCCCC2)C(=O)N=C1O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C=CCCCCCC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES C=CCCCCCC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of c1ccc2c(c1)CCCC2C1=NCCN1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of c1ccc2c(c1)CCCC2C1=NCCN1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 is not toxic in the SR-ARE assay. | The molecule with the SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES c1ccc2sc(SSN3CCOCC3)nc2c1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES c1ccc2sc(SSN3CCOCC3)nc2c1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F is toxic in the SR-ARE assay. | The molecule with the SMILES N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES O=C1NC2NC(=O)NC2N1 is not toxic in the SR-ARE assay. | The molecule with the SMILES O=C1NC2NC(=O)NC2N1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1 is toxic in the SR-ARE assay. | The molecule with the SMILES representation of C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1 is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of O=C1c2ccccc2C(=O)c2cc(O)ccc21 is toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=C1c2ccccc2C(=O)c2cc(O)ccc21 is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCOCC(C)OCC(C)O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCOCC(C)OCC(C)O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=CC(=O)OCCCCCC(C)C is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of C=CC(=O)OCCCCCC(C)C is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cl/C=C/Cl is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES Cl/C=C/Cl is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES OCC(Cl)CCl is not toxic in the SR-ARE assay. | The molecule with the SMILES OCC(Cl)CCl is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCC(=O)OCCC(C)CCC=C(C)C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCC(=O)OCCC(C)CCC=C(C)C is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C=CCc1ccc(OC(=O)Cc2ccccc2)c(OC)c1 is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of C=CCc1ccc(OC(=O)Cc2ccccc2)c(OC)c1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES Cc1nc2ccc(Cl)cc2[nH]1 is not toxic in the SR-ARE assay. | The molecule with the SMILES Cc1nc2ccc(Cl)cc2[nH]1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of N[C@@H](CCC(=O)O)C(=O)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of N[C@@H](CCC(=O)O)C(=O)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCC(=O)OC/C=C(\C)CCC=C(C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES CCCC(=O)OC/C=C(\C)CCC=C(C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of Nc1ncnc2c1ncn2Cc1c(F)cccc1Cl is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of Nc1ncnc2c1ncn2Cc1c(F)cccc1Cl is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C#Cc1ccc(-c2ccccc2F)cc1 is not toxic in the SR-ARE assay. | The molecule with the SMILES C#Cc1ccc(-c2ccccc2F)cc1 is not toxic in the SR-ARE 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(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 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(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CP(=O)([O-])OCCC[Si](O)(O)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CP(=O)([O-])OCCC[Si](O)(O)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCOC(=O)C(C)OC(=O)CCC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCOC(=O)C(C)OC(=O)CCC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of COC(C=C(C)CCC=C(C)C)OC is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of COC(C=C(C)CCC=C(C)C)OC is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCC(=O)OC(C)(C)C1CC=C(C)CC1 is not toxic in the SR-ARE assay. | The molecule with the SMILES CCC(=O)OC(C)(C)C1CC=C(C)CC1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of C=C[Si](OC(=C)C)(OC(=C)C)OC(=C)C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of C=C[Si](OC(=C)C)(OC(=C)C)OC(=C)C is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=S(=O)(O)NC1CCCCC1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES O=S(=O)(O)NC1CCCCC1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C is toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCOC(=O)C(=O)CCCCCCl is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCOC(=O)C(=O)CCCCCCl is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 is toxic in the Antioxidant response element assay. | The molecule with the SMILES Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C is toxic in the Antioxidant response element assay. | The molecule with the SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C=CN1CCCC1=O is not toxic in the SR-ARE assay. | The molecule with the SMILES C=CN1CCCC1=O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O is toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Nc1c(S(=O)(=O)[O-])cc(Br)c2c1C(=O)c1ccccc1C2=O is toxic in the SR-ARE assay. | The molecule with the SMILES Nc1c(S(=O)(=O)[O-])cc(Br)c2c1C(=O)c1ccccc1C2=O is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC(C)CCON=O is not toxic in the SR-ARE assay. | The molecule with the SMILES CC(C)CCON=O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CC(C)=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC(C)=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21 is not toxic in the SR-ARE assay. | The molecule with the SMILES C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1 is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1 is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O is toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCn1c2ccccc2c2cc(N)ccc21 is toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCn1c2ccccc2c2cc(N)ccc21 is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Nc1nnc(-c2ccc([N+](=O)[O-])o2)o1 is toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of Nc1nnc(-c2ccc([N+](=O)[O-])o2)o1 is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=[Mo](=O)=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES O=[Mo](=O)=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1cc(=O)[nH]c(=S)[nH]1 is not toxic in the SR-ARE assay. | The molecule with the SMILES Cc1cc(=O)[nH]c(=S)[nH]1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@@](O)(c3ccccc3Cl)[C@H]2C(=O)N2CCC[C@@H]2C(N)=O)cc1OC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@@](O)(c3ccccc3Cl)[C@H]2C(=O)N2CCC[C@@H]2C(N)=O)cc1OC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES O=[PH](Oc1ccccc1)Oc1ccccc1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES O=[PH](Oc1ccccc1)Oc1ccccc1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C[NH+](C)CCC(c1ccc(Cl)cc1)c1ccccn1 is not toxic in the SR-ARE assay. | The molecule with the SMILES C[NH+](C)CCC(c1ccc(Cl)cc1)c1ccccn1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES C[N+](C)(C)CCO is not toxic in the SR-ARE assay. | The molecule with the SMILES C[N+](C)(C)CCO is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES [Cr+3] is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES [Cr+3] is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of O=C1c2cccc(O)c2C(=O)c2c(O)cccc21 is toxic in the SR-ARE assay. | The molecule with the SMILES representation of O=C1c2cccc(O)c2C(=O)c2c(O)cccc21 is toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CN/C(=N\C#N)NCCSCc1nc[nH]c1C is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CN/C(=N\C#N)NCCSCc1nc[nH]c1C is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC=CC(=O)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC=CC(=O)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC1OC(=O)C(C)OC1=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC1OC(=O)C(C)OC1=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is not toxic in the Antioxidant response element assay. | The molecule with the SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 is not toxic in the SR-ARE assay. | The molecule with the SMILES COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES c1cc[n+]2c(c1)-c1cccc[n+]1CC2 is toxic in the Antioxidant response element assay. | The molecule with the SMILES c1cc[n+]2c(c1)-c1cccc[n+]1CC2 is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES COCCOCCOCCOC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES COCCOCCOCCOC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCCCCCCCCCCCCCCC(=O)NCCO is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CCCCCCCCCCCCCCCC(=O)NCCO is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCCC#CC(=O)OC is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCCC#CC(=O)OC is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1cccc2nccnc12 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES Cc1cccc2nccnc12 is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCN(CC)C(=S)[S-] is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCN(CC)C(=S)[S-] is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES [O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-] is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES [O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-] is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCC(OCCCOC)OC(C)=O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCC(OCCCOC)OC(C)=O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES Cc1cscn1 is not toxic in the SR-ARE assay. | The molecule with the SMILES Cc1cscn1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of NC1CCCCC1N is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of NC1CCCCC1N is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of C[Sn](C)(Cl)Cl is toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of C[Sn](C)(Cl)Cl is toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCC(CC)C(=O)Cl is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of CCCCC(CC)C(=O)Cl is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of O=NN1CCNCC1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of O=NN1CCNCC1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES representation of OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of COC(C)(C)CCO is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of COC(C)(C)CCO is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES OCC(O)CO is not toxic in the Antioxidant response element assay. | The molecule with the SMILES OCC(O)CO is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12 is toxic in the Antioxidant response element assay. | The molecule with the SMILES c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12 is toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1 is not toxic in the SR-ARE assay. | The molecule with the SMILES CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1 is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 is not toxic in the Antioxidant response element assay. | The molecule with the SMILES CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 is not toxic in the Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C)(C)C(=O)O is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CC(C)(C)C(=O)O is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CC(C)(CO)[N+](=O)[O-] is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC(C)(CO)[N+](=O)[O-] is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CCCCCCCCCCCCS is not toxic in the SR-ARE assay. | The molecule with the SMILES CCCCCCCCCCCCS is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CCC1(c2ccccc2)CCC(=O)NC1=O is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CCC1(c2ccccc2)CCC(=O)NC1=O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O is not toxic in the SR-ARE assay. | The molecule with the SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES representation of CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C is not toxic in the SR-ARE assay. | The molecule with the SMILES representation of CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C is not toxic in the SR-ARE assay. | [] | null |
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The molecule with the SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C is not toxic in the SR-Antioxidant response element assay. | [] | null |
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The molecule with the SMILES representation of CCCCc1cc2ccccc2c(OCCN(C)C)n1 is not toxic in the SR-Antioxidant response element assay. | The molecule with the SMILES representation of CCCCc1cc2ccccc2c(OCCN(C)C)n1 is not toxic in the SR-Antioxidant response element assay. | [] | null |
Subsets and Splits