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stringlengths 46
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| first_mask_count
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| first_start_index
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| first_mask_gen_count
int64 1
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stringlengths 0
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| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 9
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| original_smiles
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>CN(C)c1ccc(<mask_1:6>(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1<mask_1:6> | 4 | 11 | 6 | C(F) | 6 | CN(C)c1ccc(OCC(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | OCC(F) |
<|startoftext|><L>CN(C)c1ccc(C(F)(F)F)cc<mask_1:4>NC(=O)c1ccc(S(C)(=O)=O)cc1<mask_1:4> | 1 | 22 | 4 | 1 | 4 | CN(C)c1ccc(C(F)(F)F)cc1NCCNC(=O)c1ccc(S(C)(=O)=O)cc1 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | 1NCC |
<|startoftext|><L>CN(C)c1ccc(C(F)(F)F)cc1NC(=O<mask_1:4>ccc(S(C)(=O)=O)cc1<mask_1:4> | 3 | 28 | 4 | )c1 | 4 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(S(C)(=O)=O)cc1 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | )Cc1 |
<|startoftext|><L><mask_1:4>ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1<mask_1:4> | 7 | 0 | 4 | CN(C)c1 | 4 | COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | COc1 |
<|startoftext|><L>CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(<mask_1:5>O)=O)cc1<mask_1:5> | 6 | 35 | 5 | S(C)(= | 5 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(N)(O)=O)cc1 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | S(N)( |
<|startoftext|><L>CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(<mask_1:2>O)cc1<mask_1:2> | 7 | 37 | 2 | C)(=O)= | 2 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(N)O)cc1 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | N) |
<|startoftext|><L>CN(C)<mask_1:7>c(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1<mask_1:7> | 4 | 5 | 7 | c1cc | 7 | CN(C)CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | CCOc1cc |
<|startoftext|><L>CN(C)c1ccc(C<mask_1:3>)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1<mask_1:3> | 7 | 12 | 3 | (F)(F)F | 3 | CN(C)c1ccc(CC#N)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | C#N |
<|startoftext|><L>CN<mask_1:4>)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1<mask_1:4> | 2 | 2 | 4 | (C | 4 | CNC(=O)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | C(=O |
<|startoftext|><L>CN(C)c1ccc(<mask_1:3>F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1<mask_1:3> | 5 | 11 | 3 | C(F)( | 3 | CN(C)c1ccc(SC(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 | SC( |
<|startoftext|><L>O=C<mask_1:5>1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1<mask_1:5> | 3 | 3 | 5 | (CN | 5 | O=C(NCCN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | (NCCN |
<|startoftext|><L>O=C(CN1C(=<mask_1:6>ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1<mask_1:6> | 7 | 10 | 6 | O)CCOc2 | 6 | O=C(CN1C(=O)CCc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | O)CCc2 |
<|startoftext|><L>O=C(CN1C(=O)CCOc2ccccc21)N1CC<mask_1:4>2cccc(C(F)(F)F)c2)CC1<mask_1:4> | 3 | 29 | 4 | N(c | 4 | O=C(CN1C(=O)CCOc2ccccc21)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | C(Oc |
<|startoftext|><L>O=C(CN1C<mask_1:3>O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1<mask_1:3> | 2 | 8 | 3 | (= | 3 | O=C(CN1CC(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | C(= |
<|startoftext|><L>O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)<mask_1:7>)CC1<mask_1:7> | 2 | 47 | 7 | c2 | 7 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)C(=O)CC1 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | c2)C(=O |
<|startoftext|><L>O=C(CN1C(=O)CCOc2ccccc21)N1CC<mask_1:4>cc(C(F)(F)F)c2)CC1<mask_1:4> | 6 | 29 | 4 | N(c2cc | 4 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cc(C(F)(F)F)c2)CC1 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | N(c2 |
<|startoftext|><L>O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2<mask_1:2>(C(F)(F)F)c2)CC1<mask_1:2> | 4 | 33 | 2 | cccc | 3 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2nsc(C(F)(F)F)c2)CC1 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | nsc |
<|startoftext|><L>O=C(CN1C(=O)C<mask_1:5>ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1<mask_1:5> | 4 | 13 | 5 | COc2 | 5 | O=C(CN1C(=O)CCCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | CCOc2 |
<|startoftext|><L>O=C(CN1C(<mask_1:6>COc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1<mask_1:6> | 4 | 9 | 6 | =O)C | 6 | O=C(CN1C(=O)CCCCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | =O)CCC |
<|startoftext|><L>O=C(CN1C(=O)CCOc2ccccc21<mask_1:4>N1CCN(c2cccc(C(F)(F)F)c2)CC1<mask_1:4> | 1 | 24 | 4 | ) | 4 | O=C(CN1C(=O)CCOc2ccccc21)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | O=C(CN1C(=O)CCOc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 | )NCC |
<|startoftext|><L>COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c<mask_1:3>(=O)N2c2ccccn2)cc1<mask_1:3> | 8 | 39 | 3 | 3)C(=O)C | 3 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)N2c2ccccn2)cc1 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | 3)C |
<|startoftext|><L>COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N<mask_1:8>n2)cc1<mask_1:8> | 7 | 52 | 8 | 2c2cccc | 8 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2Cc2ccccn2)cc1 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | 2Cc2cccc |
<|startoftext|><L>COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2<mask_1:6>)cc1<mask_1:6> | 8 | 53 | 6 | c2ccccn2 | 6 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2CCN(C))cc1 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | CCN(C) |
<|startoftext|><L>COC(=O)c1ccc([C@H]2/C(=C(<mask_1:8>)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1<mask_1:8> | 2 | 25 | 8 | \O | 8 | COC(=O)c1ccc([C@H]2/C(=C(\O)C(C#N)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | \O)C(C#N |
<|startoftext|><L>COC(=O)c1ccc([C@H]2/C(=C(\O)c3c<mask_1:8>(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1<mask_1:8> | 3 | 31 | 8 | ccc | 8 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3ccc(C#N)c(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | cc(C#N)c |
<|startoftext|><L>COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccc<mask_1:5>1<mask_1:5> | 6 | 58 | 5 | cn2)cc | 5 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)o1 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | cn2)o |
<|startoftext|><L>COC(=O)c1cc<mask_1:5>C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1<mask_1:5> | 9 | 11 | 5 | c([C@H]2/ | 5 | COC(=O)c1ccc(C2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | c(C2/ |
<|startoftext|><L>COC(=O)<mask_1:9>c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1<mask_1:9> | 0 | 7 | 9 | 10 | COC(=O)C[C@@H](O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | C[C@@H](O) |
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<|startoftext|><L>COC(=O)c1ccc([C@H]2/C(=C<mask_1:2>3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1<mask_1:2> | 5 | 24 | 2 | (\O)c | 2 | COC(=O)c1ccc([C@H]2/C(=C\c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | \c |
<|startoftext|><L>COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2<mask_1:9>)cc1<mask_1:9> | 6 | 55 | 9 | ccccn2 | 9 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2cccc(C)n2)cc1 | COC(=O)c1ccc([C@H]2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1 | cccc(C)n2 |
<|startoftext|><L>O=C(NC1CC(N2CCOCC2)C1)c1cccc(C<mask_1:5>O)c1<mask_1:5> | 3 | 30 | 5 | #CC | 5 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(CC(=O)O)c1 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(C#CCO)c1 | C(=O) |
<|startoftext|><L>O=C(NC1C<mask_1:3>(N2CCOCC2)C1)c1cccc(C#CCO)c1<mask_1:3> | 1 | 8 | 3 | C | 3 | O=C(NC1CC=C(N2CCOCC2)C1)c1cccc(C#CCO)c1 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(C#CCO)c1 | C=C |
<|startoftext|><L>O=C(NC1CC(N2CC<mask_1:2>)C1)c1cccc(C#CCO)c1<mask_1:2> | 4 | 14 | 2 | OCC2 | 2 | O=C(NC1CC(N2CCC2)C1)c1cccc(C#CCO)c1 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(C#CCO)c1 | C2 |
<|startoftext|><L>O=C(NC1CC<mask_1:4>N2CCOCC2)C1)c1cccc(C#CCO)c1<mask_1:4> | 1 | 9 | 4 | ( | 4 | O=C(NC1CC(NCCN2CCOCC2)C1)c1cccc(C#CCO)c1 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(C#CCO)c1 | (NCC |
<|startoftext|><L>O=C(NC1CC<mask_1:4>(N2CCOCC2)C1)c1cccc(C#CCO)c1<mask_1:4> | 0 | 9 | 4 | 4 | O=C(NC1CCC(O)(N2CCOCC2)C1)c1cccc(C#CCO)c1 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(C#CCO)c1 | C(O) |
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<|startoftext|><L>O=C(NC1CC(N2CCOCC2)C<mask_1:5>c1cccc(C#CCO)c1<mask_1:5> | 2 | 20 | 5 | 1) | 5 | O=C(NC1CC(N2CCOCC2)C1)NCCc1cccc(C#CCO)c1 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(C#CCO)c1 | 1)NCC |
<|startoftext|><L>O=C(NC1CC(N2CCOCC2)C1)c1cccc<mask_1:4>CCO)c1<mask_1:4> | 3 | 28 | 4 | (C# | 4 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(OCCCCO)c1 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(C#CCO)c1 | (OCC |
<|startoftext|><L>O=C(NC1CC(N<mask_1:3>COCC2)C1)c1cccc(C#CCO)c1<mask_1:3> | 2 | 11 | 3 | 2C | 3 | O=C(NC1CC(N2CCCOCC2)C1)c1cccc(C#CCO)c1 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(C#CCO)c1 | 2CC |
<|startoftext|><L>O=C(NC1CC(N<mask_1:4>2CCOCC2)C1)c1cccc(C#CCO)c1<mask_1:4> | 0 | 11 | 4 | 4 | O=C(NC1CC(NCCCN2CCOCC2)C1)c1cccc(C#CCO)c1 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(C#CCO)c1 | CCCN |
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<|startoftext|><L>O=C(NC1CC(N2CCOCC2)C1)c1cccc(<mask_1:2>CO)c1<mask_1:2> | 3 | 29 | 2 | C#C | 2 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(OCCO)c1 | O=C(NC1CC(N2CCOCC2)C1)c1cccc(C#CCO)c1 | OC |
<|startoftext|><L>Cc1cc(S<mask_1:5>(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl<mask_1:5> | 0 | 7 | 5 | 5 | Cc1cc(S(=O)S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | (=O)S |
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<|startoftext|><L>Cc1cc(S(=O)(=O)Nc2ccc<mask_1:5>)cn2)ccc1Cl<mask_1:5> | 3 | 21 | 5 | (Cl | 5 | Cc1cc(S(=O)(=O)Nc2ccc(C#CC)cn2)ccc1Cl | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | (C#CC |
<|startoftext|><L>Cc1cc(S(=O)(=O)Nc<mask_1:3>Cl)cn2)ccc1Cl<mask_1:3> | 5 | 17 | 3 | 2ccc( | 3 | Cc1cc(S(=O)(=O)Nc2c(Cl)cn2)ccc1Cl | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | 2c( |
<|startoftext|><L>Cc1cc(S(=O)(=O)Nc2ccc(Cl)c<mask_1:4>c1Cl<mask_1:4> | 5 | 26 | 4 | n2)cc | 4 | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)sc1Cl | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | c2)s |
<|startoftext|><L>Cc1cc(S(=O)(<mask_1:5>O)Nc2ccc(Cl)cn2)ccc1Cl<mask_1:5> | 1 | 12 | 5 | = | 5 | Cc1cc(S(=O)(=O)N(O)Nc2ccc(Cl)cn2)ccc1Cl | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | =O)N( |
<|startoftext|><L>C<mask_1:4>cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl<mask_1:4> | 2 | 1 | 4 | c1 | 4 | COCc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | OCc1 |
<|startoftext|><L>Cc1cc(S(=O)(=O)Nc2ccc(C<mask_1:3>cn2)ccc1Cl<mask_1:3> | 2 | 23 | 3 | l) | 3 | Cc1cc(S(=O)(=O)Nc2ccc(C#N)cn2)ccc1Cl | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | #N) |
<|startoftext|><L>Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2<mask_1:5>1Cl<mask_1:5> | 4 | 28 | 5 | )ccc | 4 | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | )ccc |
<|startoftext|><L>Cc1cc(<mask_1:4>(=O)Nc2ccc(Cl)cn2)ccc1Cl<mask_1:4> | 5 | 6 | 4 | S(=O) | 4 | Cc1cc(CSCC(=O)Nc2ccc(Cl)cn2)ccc1Cl | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | CSCC |
<|startoftext|><L>Cc1cc(S(=O)(=O)Nc2ccc<mask_1:4>n2)ccc1Cl<mask_1:4> | 5 | 21 | 4 | (Cl)c | 4 | Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Cl | Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl | (F)c |
<|startoftext|><L><mask_1:2>c(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1<mask_1:2> | 6 | 0 | 2 | COc1cc | 2 | c1c(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | c1 |
<|startoftext|><L>COc1ccc(CCNC(=O)C(=O)N<mask_1:6>ccc3c(O)cccc23)cc1<mask_1:6> | 3 | 22 | 6 | c2c | 6 | COc1ccc(CCNC(=O)C(=O)Nc2c(C)ccc3c(O)cccc23)cc1 | COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | c2c(C) |
<|startoftext|><L>COc1ccc(CCNC(=<mask_1:5>=O)Nc2cccc3c(O)cccc23)cc1<mask_1:5> | 4 | 14 | 5 | O)C( | 5 | COc1ccc(CCNC(=O)CC(=O)Nc2cccc3c(O)cccc23)cc1 | COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | O)CC( |
<|startoftext|><L>COc1ccc(CCNC(=O)C(=O<mask_1:5>Nc2cccc3c(O)cccc23)cc1<mask_1:5> | 1 | 20 | 5 | ) | 5 | COc1ccc(CCNC(=O)C(=O)NCCCNc2cccc3c(O)cccc23)cc1 | COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | )NCCC |
<|startoftext|><L><mask_1:4>COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1<mask_1:4> | 0 | 0 | 4 | 4 | C=CCCOc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | C=CC |
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<|startoftext|><L>COc1c<mask_1:3>C(=O)C(=O)Nc2cccc3c(O)cccc23)cc1<mask_1:3> | 6 | 5 | 3 | cc(CCN | 3 | COc1ccc(C(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | cc( |
<|startoftext|><L>COc1ccc(C<mask_1:4>)C(=O)Nc2cccc3c(O)cccc23)cc1<mask_1:4> | 6 | 9 | 4 | CNC(=O | 4 | COc1ccc(CC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | C(=O |
<|startoftext|><L>COc1ccc(CCN<mask_1:5>C(=O)C(=O)Nc2cccc3c(O)cccc23)cc1<mask_1:5> | 0 | 11 | 5 | 5 | COc1ccc(CCNC(=O)C(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | C(=O) |
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<|startoftext|><L>COc1ccc(C<mask_1:3>)C(=O)Nc2cccc3c(O)cccc23)cc1<mask_1:3> | 6 | 9 | 3 | CNC(=O | 3 | COc1ccc(CN(C)C(=O)Nc2cccc3c(O)cccc23)cc1 | COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | N(C |
<|startoftext|><L>COc1ccc(CCNC(=O)C(=O<mask_1:4>2cccc3c(O)cccc23)cc1<mask_1:4> | 3 | 20 | 4 | )Nc | 4 | COc1ccc(CCNC(=O)C(=O)NCc2cccc3c(O)cccc23)cc1 | COc1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1 | )NCc |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c<mask_1:6>C)on2)cc1<mask_1:6> | 4 | 33 | 6 | 2cc( | 6 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(COC)on2)cc1 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | 2cc(CO |
<|startoftext|><L>CCOC(=O)c1<mask_1:5>c(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1<mask_1:5> | 2 | 10 | 5 | cc | 5 | CCOC(=O)c1cc(C)c(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | cc(C) |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(<mask_1:4>)on2)cc1<mask_1:4> | 1 | 37 | 4 | C | 4 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C))on2)cc1 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | C(C) |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)N2CCC[C<mask_1:2>2c2cc(C)on2)cc1<mask_1:2> | 4 | 27 | 2 | @@H] | 2 | CCOC(=O)c1ccc(NC(=O)N2CCC[CH]2c2cc(C)on2)cc1 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | H] |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C<mask_1:3>on2)cc1<mask_1:3> | 1 | 38 | 3 | ) | 3 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(CCC)on2)cc1 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | CC) |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]<mask_1:5>cc(C)on2)cc1<mask_1:5> | 3 | 31 | 5 | 2c2 | 5 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2CCc2cc(C)on2)cc1 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | 2CCc2 |
<|startoftext|><L>CCOC(<mask_1:6>=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1<mask_1:6> | 0 | 5 | 6 | 6 | CCOC(=O)CC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | =O)CC( |
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<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H<mask_1:5>2c2cc(C)on2)cc1<mask_1:5> | 1 | 30 | 5 | ] | 5 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](C)C2c2cc(C)on2)cc1 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | ](C)C |
<|startoftext|><L>CCOC(=O)<mask_1:6>ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1<mask_1:6> | 2 | 8 | 6 | c1 | 6 | CCOC(=O)CCCOc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | CCCOc1 |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)N2<mask_1:6>C[C@@H]2c2cc(C)on2)cc1<mask_1:6> | 2 | 22 | 6 | CC | 6 | CCOC(=O)c1ccc(NC(=O)N2CCN(C)C[C@@H]2c2cc(C)on2)cc1 | CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 | CCN(C) |
<|startoftext|><L>COCCN1CCC(CN(Cc<mask_1:6>c(OC)c(COC)c2)C[C@@H]2CCCO2)CC1<mask_1:6> | 3 | 15 | 6 | 2cc | 6 | COCCN1CCC(CN(Cc2cc(C)c(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | 2cc(C) |
<|startoftext|><L><mask_1:6>CN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1<mask_1:6> | 3 | 0 | 6 | COC | 6 | NC(=O)CN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | NC(=O) |
<|startoftext|><L>COCCN1CCC(CN(Cc2c<mask_1:1>C)c(COC)c2)C[C@@H]2CCCO2)CC1<mask_1:1> | 4 | 17 | 1 | cc(O | 1 | COCCN1CCC(CN(Cc2c(C)c(COC)c2)C[C@@H]2CCCO2)CC1 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | ( |
<|startoftext|><L>COCCN1<mask_1:1>(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1<mask_1:1> | 3 | 6 | 1 | CCC | 1 | COCCN1C(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | C |
<|startoftext|><L>COCCN1CCC(CN(Cc2ccc(OC)c(<mask_1:7>OC)c2)C[C@@H]2CCCO2)CC1<mask_1:7> | 1 | 25 | 7 | C | 7 | COCCN1CCC(CN(Cc2ccc(OC)c(CNC(=O)OC)c2)C[C@@H]2CCCO2)CC1 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | CNC(=O) |
<|startoftext|><L>COCCN1CCC(CN(Cc2c<mask_1:6>(COC)c2)C[C@@H]2CCCO2)CC1<mask_1:6> | 7 | 17 | 6 | cc(OC)c | 6 | COCCN1CCC(CN(Cc2ccc(O)c(COC)c2)C[C@@H]2CCCO2)CC1 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | cc(O)c |
<|startoftext|><L>COCCN1CCC(CN(Cc2ccc(OC)<mask_1:4>COC)c2)C[C@@H]2CCCO2)CC1<mask_1:4> | 2 | 23 | 4 | c( | 4 | COCCN1CCC(CN(Cc2ccc(OC)c(OCCOC)c2)C[C@@H]2CCCO2)CC1 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | c(OC |
<|startoftext|><L>COCCN1CCC(CN(Cc2ccc(OC)<mask_1:4>c2)C[C@@H]2CCCO2)CC1<mask_1:4> | 6 | 23 | 4 | c(COC) | 4 | COCCN1CCC(CN(Cc2ccc(OC)c(C)c2)C[C@@H]2CCCO2)CC1 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | c(C) |
<|startoftext|><L>COCC<mask_1:2>CC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1<mask_1:2> | 3 | 4 | 2 | N1C | 2 | COCC1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | 1C |
<|startoftext|><L>COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]<mask_1:4>)CC1<mask_1:4> | 6 | 39 | 4 | 2CCCO2 | 4 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H](C)O)CC1 | COCCN1CCC(CN(Cc2ccc(OC)c(COC)c2)C[C@@H]2CCCO2)CC1 | (C)O |
<|startoftext|><L>CCCc1c<mask_1:5>C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1<mask_1:5> | 3 | 6 | 5 | nc( | 5 | CCCc1cnc(CCC)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | nc(CC |
<|startoftext|><L>CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2<mask_1:2>CC(=O)O)C1<mask_1:2> | 0 | 33 | 2 | 2 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CCCC(=O)O)C1 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | CC |
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<|startoftext|><L>CCC<mask_1:5>nc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1<mask_1:5> | 3 | 3 | 5 | c1c | 5 | CCCCNc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | CNc1c |
<|startoftext|><L>CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2<mask_1:2>O)O)C1<mask_1:2> | 4 | 33 | 2 | CC(= | 2 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2C(O)O)C1 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | C( |
<|startoftext|><L>CCC<mask_1:5>cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1<mask_1:5> | 2 | 3 | 5 | c1 | 5 | CCC(C)c1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | (C)c1 |
<|startoftext|><L>CCCc1cnc(C)nc1N<mask_1:1>CC[C@@H](c2ccnn2CC(=O)O)C1<mask_1:1> | 2 | 15 | 1 | 1C | 1 | CCCc1cnc(C)nc1N1CC[C@@H](c2ccnn2CC(=O)O)C1 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | 1 |
<|startoftext|><L>CCCc1cn<mask_1:6>c1N1CCC[C@@H](c2ccnn2CC(=O)O)C1<mask_1:6> | 5 | 7 | 6 | c(C)n | 6 | CCCc1cnc(CC)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | c(CC)n |
<|startoftext|><L>C<mask_1:2>1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1<mask_1:2> | 3 | 1 | 2 | CCc | 2 | CCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | Cc |
<|startoftext|><L>C<mask_1:3>c1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1<mask_1:3> | 2 | 1 | 3 | CC | 3 | CCCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | CCC |
<|startoftext|><L>C<mask_1:6>1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1<mask_1:6> | 3 | 1 | 6 | CCc | 6 | CC(=O)c1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | CCCc1cnc(C)nc1N1CCC[C@@H](c2ccnn2CC(=O)O)C1 | C(=O)c |
<|startoftext|><L>COCCOc1ccc(NC(=O)N[C@@H](<mask_1:5>)c2ccncc2)cn1<mask_1:5> | 1 | 25 | 5 | C | 5 | COCCOc1ccc(NC(=O)N[C@@H](C(F)F)c2ccncc2)cn1 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | C(F)F |
<|startoftext|><L>COCCOc1ccc(NC(=<mask_1:4>@@H](C)c2ccncc2)cn1<mask_1:4> | 5 | 15 | 4 | O)N[C | 4 | COCCOc1ccc(NC(=O)[C@@H](C)c2ccncc2)cn1 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | O)[C |
<|startoftext|><L>COCCOc1ccc(NC(=O)N[C@@H](C)c<mask_1:3>cc2)cn1<mask_1:3> | 4 | 28 | 3 | 2ccn | 3 | COCCOc1ccc(NC(=O)N[C@@H](C)c2cscc2)cn1 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | 2cs |
<|startoftext|><L>COCCOc1ccc(NC<mask_1:1>(=O)N[C@@H](C)c2ccncc2)cn1<mask_1:1> | 0 | 13 | 1 | 1 | COCCOc1ccc(NCC(=O)N[C@@H](C)c2ccncc2)cn1 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | C |
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<|startoftext|><L>COCCOc1ccc(NC(=O)N[C@@H<mask_1:5>c2ccncc2)cn1<mask_1:5> | 4 | 23 | 5 | ](C) | 5 | COCCOc1ccc(NC(=O)N[C@@H](C)Cc2ccncc2)cn1 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | ](C)C |
<|startoftext|><L>COCCOc1<mask_1:2>ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1<mask_1:2> | 0 | 7 | 2 | 2 | COCCOc1ccccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | cc |
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<|startoftext|><L><mask_1:1>c1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1<mask_1:1> | 5 | 0 | 1 | COCCO | 1 | Cc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | C |
<|startoftext|><L>COCCO<mask_1:2>c(NC(=O)N[C@@H](C)c2ccncc2)cn1<mask_1:2> | 4 | 5 | 2 | c1cc | 2 | COCCOc1c(NC(=O)N[C@@H](C)c2ccncc2)cn1 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | c1 |
<|startoftext|><L>COC<mask_1:4>c1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1<mask_1:4> | 2 | 3 | 4 | CO | 4 | COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | (=O) |
<|startoftext|><L>COCCOc1ccc(NC(=O)N[<mask_1:5>](C)c2ccncc2)cn1<mask_1:5> | 4 | 19 | 5 | C@@H | 4 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | COCCOc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cn1 | C@@H |