drug string | solution int64 | problem string | id int64 |
|---|---|---|---|
O=[N+]([O-])c1c2c(c3ccc4cccc5ccc1c3c45)CCCC2 | 1 | Would the compound with SMILES O=[N+]([O-])c1c2c(c3ccc4cccc5ccc1c3c45)CCCC2 be considered mutagenic according to the results of the Ames assay? | 0 |
O=c1c2ccccc2c(=O)c2c1ccc1c2[nH]c2c3c(=O)c4ccccc4c(=O)c3c3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)c3c12 | 0 | Would the compound with SMILES O=c1c2ccccc2c(=O)c2c1ccc1c2[nH]c2c3c(=O)c4ccccc4c(=O)c3c3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)c3c12 be considered mutagenic according to the results of the Ames assay? | 1 |
[N-]=[N+]=CC(=O)NCC(=O)NN | 1 | Given this compound (SMILES: [N-]=[N+]=CC(=O)NCC(=O)NN), would it be classified as mutagenic in the Ames test? | 2 |
[N-]=[N+]=C1C=NC(=O)NC1=O | 1 | Given this compound (SMILES: [N-]=[N+]=C1C=NC(=O)NC1=O), would it be classified as mutagenic in the Ames test? | 3 |
CCCCN(CC(O)C1=CC(=[N+]=[N-])C(=O)C=C1)N=O | 1 | The SMILES string is: CCCCN(CC(O)C1=CC(=[N+]=[N-])C(=O)C=C1)N=O. According to Ames test predictions, is this compound mutagenic? | 4 |
[N-]=[N+]=CC(=O)OCC(N)C(=O)O | 1 | For the molecule represented by the SMILES: [N-]=[N+]=CC(=O)OCC(N)C(=O)O, does the Ames test suggest mutagenic activity? | 5 |
CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)OCC4(C)C3CCC21C | 0 | Given this compound (SMILES: CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)OCC4(C)C3CCC21C), would it be classified as mutagenic in the Ames test? | 6 |
Nc1nc(N)nc(N)n1 | 0 | Given this compound (SMILES: Nc1nc(N)nc(N)n1), would it be classified as mutagenic in the Ames test? | 7 |
Cc1ccc(N=Nc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 | 1 | Would the compound with SMILES Cc1ccc(N=Nc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 be considered mutagenic according to the results of the Ames assay? | 8 |
CC(C)CC(=O)Nc1snc2ccccc12 | 0 | Would the compound with SMILES CC(C)CC(=O)Nc1snc2ccccc12 be considered mutagenic according to the results of the Ames assay? | 9 |
Cc1cccc([N+](=O)[O-])c1C | 1 | Given this compound (SMILES: Cc1cccc([N+](=O)[O-])c1C), would it be classified as mutagenic in the Ames test? | 10 |
CCC[N+](=O)[O-] | 0 | For the molecule represented by the SMILES: CCC[N+](=O)[O-], does the Ames test suggest mutagenic activity? | 11 |
O=C(O)c1cc([N+](=O)[O-])cc2cccnc12 | 1 | Given this compound (SMILES: O=C(O)c1cc([N+](=O)[O-])cc2cccnc12), would it be classified as mutagenic in the Ames test? | 12 |
NC(=O)Nc1nc2ccccc2[nH]1 | 1 | Would the compound with SMILES NC(=O)Nc1nc2ccccc2[nH]1 be considered mutagenic according to the results of the Ames assay? | 13 |
Nc1ccc2c(c1)oc1ccccc12 | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: Nc1ccc2c(c1)oc1ccccc12 | 14 |
Cc1ccc2ccc3ccc(C)cc3c2c1 | 1 | For the molecule represented by the SMILES: Cc1ccc2ccc3ccc(C)cc3c2c1, does the Ames test suggest mutagenic activity? | 15 |
Cc1cc2c(nc(N)n2C)c2ncc(-c3ccccc3)nc12 | 1 | For the molecule represented by the SMILES: Cc1cc2c(nc(N)n2C)c2ncc(-c3ccccc3)nc12, does the Ames test suggest mutagenic activity? | 16 |
NNc1nnc(NN)c2ccccc12 | 1 | For the molecule represented by the SMILES: NNc1nnc(NN)c2ccccc12, does the Ames test suggest mutagenic activity? | 17 |
C=CC(=O)NCNC(=O)C=C | 1 | For the molecule represented by the SMILES: C=CC(=O)NCNC(=O)C=C, does the Ames test suggest mutagenic activity? | 18 |
OCc1cc2c3c(cccc3c1)-c1ccccc1-2 | 0 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: OCc1cc2c3c(cccc3c1)-c1ccccc1-2 | 19 |
Cc1cc(O)c2c(c1)C(=O)C13C4C(=O)C56C(=O)c7c(O)cc(C)cc7C(=O)C57C(C(=O)C16C2=O)C(C)C3C7C4C | 0 | Would the compound with SMILES Cc1cc(O)c2c(c1)C(=O)C13C4C(=O)C56C(=O)c7c(O)cc(C)cc7C(=O)C57C(C(=O)C16C2=O)C(C)C3C7C4C be considered mutagenic according to the results of the Ames assay? | 20 |
Cc1nc(N)nc(N)n1 | 0 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: Cc1nc(N)nc(N)n1 | 21 |
CCNc1nc(N)nc(Cl)n1 | 0 | Given this compound (SMILES: CCNc1nc(N)nc(Cl)n1), would it be classified as mutagenic in the Ames test? | 22 |
CC(=O)NC(CSC(Cl)=C(Cl)Cl)C(=O)O | 1 | For the molecule represented by the SMILES: CC(=O)NC(CSC(Cl)=C(Cl)Cl)C(=O)O, does the Ames test suggest mutagenic activity? | 23 |
CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)C[C@@H]12 | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)C[C@@H]12 | 24 |
CCN=NNCC | 1 | Given this compound (SMILES: CCN=NNCC), would it be classified as mutagenic in the Ames test? | 25 |
O=[N+]([O-])c1ccc2c(c1)-c1cccc3cccc-2c13 | 1 | Would the compound with SMILES O=[N+]([O-])c1ccc2c(c1)-c1cccc3cccc-2c13 be considered mutagenic according to the results of the Ames assay? | 26 |
c1ccc(-c2ccc(CC[C@H]3CO3)cc2)cc1 | 1 | For the molecule represented by the SMILES: c1ccc(-c2ccc(CC[C@H]3CO3)cc2)cc1, does the Ames test suggest mutagenic activity? | 27 |
Oc1cc2c3ccccc3ccc2c2ccccc12 | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: Oc1cc2c3ccccc3ccc2c2ccccc12 | 28 |
Oc1ccc2ccccc2c1N=Nc1ccccc1 | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: Oc1ccc2ccccc2c1N=Nc1ccccc1 | 29 |
CCOC(=O)C(C)Br | 1 | Would the compound with SMILES CCOC(=O)C(C)Br be considered mutagenic according to the results of the Ames assay? | 30 |
COC1(OC2CCC3C4CCC5CC6SC6CC5(C)C4CCC23C)CCCC1 | 0 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: COC1(OC2CCC3C4CCC5CC6SC6CC5(C)C4CCC23C)CCCC1 | 31 |
CC(=C\C1=CCOC1=O)/C=C(C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O | 1 | Given this compound (SMILES: CC(=C\C1=CCOC1=O)/C=C(C)/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O), would it be classified as mutagenic in the Ames test? | 32 |
CCO[P@](=S)(CC)Sc1ccccc1 | 0 | For the molecule represented by the SMILES: CCO[P@](=S)(CC)Sc1ccccc1, does the Ames test suggest mutagenic activity? | 33 |
Nc1ccc([N+](=O)[O-])c(N)c1 | 1 | Given this compound (SMILES: Nc1ccc([N+](=O)[O-])c(N)c1), would it be classified as mutagenic in the Ames test? | 34 |
CCSCCSP(=O)(OC)OC | 0 | Would the compound with SMILES CCSCCSP(=O)(OC)OC be considered mutagenic according to the results of the Ames assay? | 35 |
Brc1ccccc1 | 0 | Given this compound (SMILES: Brc1ccccc1), would it be classified as mutagenic in the Ames test? | 36 |
Cc1cc(N)c(S(=O)(=O)O)cc1Cl | 0 | The SMILES string is: Cc1cc(N)c(S(=O)(=O)O)cc1Cl. According to Ames test predictions, is this compound mutagenic? | 37 |
Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1 | 0 | The SMILES string is: Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1. According to Ames test predictions, is this compound mutagenic? | 38 |
CN(C)CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O | 1 | The SMILES string is: CN(C)CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O. According to Ames test predictions, is this compound mutagenic? | 39 |
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O | 0 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O | 40 |
COCCl | 0 | Would the compound with SMILES COCCl be considered mutagenic according to the results of the Ames assay? | 41 |
O=NN1CCOCC1 | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: O=NN1CCOCC1 | 42 |
Nc1ccc(Nc2ccccc2)cc1 | 0 | The SMILES string is: Nc1ccc(Nc2ccccc2)cc1. According to Ames test predictions, is this compound mutagenic? | 43 |
C=C(C)C(=O)OCCCCC | 0 | The SMILES string is: C=C(C)C(=O)OCCCCC. According to Ames test predictions, is this compound mutagenic? | 44 |
O=C(O)c1ccccc1 | 0 | Would the compound with SMILES O=C(O)c1ccccc1 be considered mutagenic according to the results of the Ames assay? | 45 |
c1cc2c3c(c1)ccc1cccc(c13)C2 | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: c1cc2c3c(c1)ccc1cccc(c13)C2 | 46 |
Fc1ccccc1-c1ccccc1 | 0 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: Fc1ccccc1-c1ccccc1 | 47 |
Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl | 0 | Given this compound (SMILES: Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl), would it be classified as mutagenic in the Ames test? | 48 |
CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C | 0 | The SMILES string is: CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C. According to Ames test predictions, is this compound mutagenic? | 49 |
Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C | 0 | For the molecule represented by the SMILES: Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C, does the Ames test suggest mutagenic activity? | 50 |
Nc1ccc2ccccc2c1N=Nc1ccc([N+](=O)[O-])cc1 | 1 | For the molecule represented by the SMILES: Nc1ccc2ccccc2c1N=Nc1ccc([N+](=O)[O-])cc1, does the Ames test suggest mutagenic activity? | 51 |
Oc1ccc(Cc2ccccc2O)cc1 | 0 | Would the compound with SMILES Oc1ccc(Cc2ccccc2O)cc1 be considered mutagenic according to the results of the Ames assay? | 52 |
CC(=O)N(O)c1ccc(Oc2ccccc2)cc1 | 1 | For the molecule represented by the SMILES: CC(=O)N(O)c1ccc(Oc2ccccc2)cc1, does the Ames test suggest mutagenic activity? | 53 |
CC(C)(c1ccc(OP(O)O)cc1)c1ccc(OP(O)O)cc1 | 0 | For the molecule represented by the SMILES: CC(C)(c1ccc(OP(O)O)cc1)c1ccc(OP(O)O)cc1, does the Ames test suggest mutagenic activity? | 54 |
CCCCCCCC(=O)Cl | 1 | For the molecule represented by the SMILES: CCCCCCCC(=O)Cl, does the Ames test suggest mutagenic activity? | 55 |
CCNC(=O)Nc1ncc([N+](=O)[O-])s1 | 1 | The SMILES string is: CCNC(=O)Nc1ncc([N+](=O)[O-])s1. According to Ames test predictions, is this compound mutagenic? | 56 |
COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C=CO[C@H]1O4 | 1 | The SMILES string is: COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C=CO[C@H]1O4. According to Ames test predictions, is this compound mutagenic? | 57 |
O=[N+]([O-])c1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2 | 1 | Given this compound (SMILES: O=[N+]([O-])c1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2), would it be classified as mutagenic in the Ames test? | 58 |
O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O | 1 | The SMILES string is: O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O. According to Ames test predictions, is this compound mutagenic? | 59 |
COC(N)=O | 0 | Given this compound (SMILES: COC(N)=O), would it be classified as mutagenic in the Ames test? | 60 |
Cc1c2ccccc2c(CBr)c2ccccc12 | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: Cc1c2ccccc2c(CBr)c2ccccc12 | 61 |
C=CC(=O)OC | 0 | Given this compound (SMILES: C=CC(=O)OC), would it be classified as mutagenic in the Ames test? | 62 |
OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1 | 1 | The SMILES string is: OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1. According to Ames test predictions, is this compound mutagenic? | 63 |
Cc1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1 | 0 | The SMILES string is: Cc1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1. According to Ames test predictions, is this compound mutagenic? | 64 |
CCCCN(COC(C)=O)N=O | 1 | The SMILES string is: CCCCN(COC(C)=O)N=O. According to Ames test predictions, is this compound mutagenic? | 65 |
Nc1c(O)cc(Cc2cc(Cl)c(N)c(OS(=O)(=O)O)c2)cc1Cl | 0 | Given this compound (SMILES: Nc1c(O)cc(Cc2cc(Cl)c(N)c(OS(=O)(=O)O)c2)cc1Cl), would it be classified as mutagenic in the Ames test? | 66 |
C1CSCCO1 | 0 | For the molecule represented by the SMILES: C1CSCCO1, does the Ames test suggest mutagenic activity? | 67 |
Cc1ccccc1N | 1 | The SMILES string is: Cc1ccccc1N. According to Ames test predictions, is this compound mutagenic? | 68 |
O=C1c2ccccc2-c2ccccc21 | 0 | Would the compound with SMILES O=C1c2ccccc2-c2ccccc21 be considered mutagenic according to the results of the Ames assay? | 69 |
CS(=O)(=O)Nc1ccc(Nc2c3ccc(N=[N+]=[N-])cc3nc3ccc(N=[N+]=[N-])cc23)cc1 | 0 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccc(N=[N+]=[N-])cc3nc3ccc(N=[N+]=[N-])cc23)cc1 | 70 |
C/C=C(\Cl)C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: C/C=C(\Cl)C1=CC(=O)C23CC2C(C)(C)OC3(O)C1=O | 71 |
Nc1ccccc1SCCSc1ccccc1N | 1 | The SMILES string is: Nc1ccccc1SCCSc1ccccc1N. According to Ames test predictions, is this compound mutagenic? | 72 |
O=C(NO)c1ccccc1O | 1 | Given this compound (SMILES: O=C(NO)c1ccccc1O), would it be classified as mutagenic in the Ames test? | 73 |
Nc1c(O)cccc1[N+](=O)[O-] | 0 | The SMILES string is: Nc1c(O)cccc1[N+](=O)[O-]. According to Ames test predictions, is this compound mutagenic? | 74 |
CC(C)(C)c1ccc(/C=C/c2ccc(N)cc2)cc1 | 0 | Given this compound (SMILES: CC(C)(C)c1ccc(/C=C/c2ccc(N)cc2)cc1), would it be classified as mutagenic in the Ames test? | 75 |
O=C(O)C[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: O=C(O)C[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O | 76 |
c1cc2c3c(cccc3c1)CC2 | 0 | Would the compound with SMILES c1cc2c3c(cccc3c1)CC2 be considered mutagenic according to the results of the Ames assay? | 77 |
CN(C)CCCNc1c2ccccc2nc2c(N(CCO)CCO)ccc([N+](=O)[O-])c12 | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: CN(C)CCCNc1c2ccccc2nc2c(N(CCO)CCO)ccc([N+](=O)[O-])c12 | 78 |
CCCCOc1ccc(N=O)cc1 | 1 | Would the compound with SMILES CCCCOc1ccc(N=O)cc1 be considered mutagenic according to the results of the Ames assay? | 79 |
Cc1cc(S(=O)(=O)O)c(N)cc1Cl | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: Cc1cc(S(=O)(=O)O)c(N)cc1Cl | 80 |
COC(=O)C1=CCCN(C)C1 | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: COC(=O)C1=CCCN(C)C1 | 81 |
CNC(=O)ON | 1 | Given this compound (SMILES: CNC(=O)ON), would it be classified as mutagenic in the Ames test? | 82 |
C=CC(=O)O | 0 | Would the compound with SMILES C=CC(=O)O be considered mutagenic according to the results of the Ames assay? | 83 |
O=C(O)CC(=O)O | 0 | The SMILES string is: O=C(O)CC(=O)O. According to Ames test predictions, is this compound mutagenic? | 84 |
CCCCC=O | 0 | Would the compound with SMILES CCCCC=O be considered mutagenic according to the results of the Ames assay? | 85 |
O=Nc1ccccc1-c1ccccc1 | 1 | Would the compound with SMILES O=Nc1ccccc1-c1ccccc1 be considered mutagenic according to the results of the Ames assay? | 86 |
CSC(C)(C)C(=O)NC(CS)C(=O)O | 0 | The SMILES string is: CSC(C)(C)C(=O)NC(CS)C(=O)O. According to Ames test predictions, is this compound mutagenic? | 87 |
C[n+]1ccc(-c2cc[n+](C)cc2)cc1 | 0 | The SMILES string is: C[n+]1ccc(-c2cc[n+](C)cc2)cc1. According to Ames test predictions, is this compound mutagenic? | 88 |
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O | 0 | The SMILES string is: Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O. According to Ames test predictions, is this compound mutagenic? | 89 |
O=[N+]([O-])c1cccc(S(=O)(=O)O)c1 | 0 | The SMILES string is: O=[N+]([O-])c1cccc(S(=O)(=O)O)c1. According to Ames test predictions, is this compound mutagenic? | 90 |
COc1ccc(O)c(C(C)(C)C)c1 | 0 | The SMILES string is: COc1ccc(O)c(C(C)(C)C)c1. According to Ames test predictions, is this compound mutagenic? | 91 |
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCl | 1 | The SMILES string is: O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCl. According to Ames test predictions, is this compound mutagenic? | 92 |
CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C | 0 | The SMILES string is: CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C. According to Ames test predictions, is this compound mutagenic? | 93 |
OCc1cc2ccc3cccc4ccc(c1)c2c34 | 1 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: OCc1cc2ccc3cccc4ccc(c1)c2c34 | 94 |
CCCCON(OC(C)=O)C(=O)c1ccc(-c2ccccc2)cc1 | 1 | For the molecule represented by the SMILES: CCCCON(OC(C)=O)C(=O)c1ccc(-c2ccccc2)cc1, does the Ames test suggest mutagenic activity? | 95 |
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 0 | Is mutagenicity detected in the Ames test for the following molecule? SMILES: C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 96 |
N#Cc1ccccc1C#N | 0 | The SMILES string is: N#Cc1ccccc1C#N. According to Ames test predictions, is this compound mutagenic? | 97 |
CC(=O)Nc1cc(N=[N+]([O-])c2ccc(C)c(NC(C)=O)c2)ccc1C | 0 | For the molecule represented by the SMILES: CC(=O)Nc1cc(N=[N+]([O-])c2ccc(C)c(NC(C)=O)c2)ccc1C, does the Ames test suggest mutagenic activity? | 98 |
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(=C(O)OC2CN(C(c3ccccc3)c3ccccc3)C2)C(N)=N1 | 0 | Would the compound with SMILES CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(=C(O)OC2CN(C(c3ccccc3)c3ccccc3)C2)C(N)=N1 be considered mutagenic according to the results of the Ames assay? | 99 |
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