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stringlengths 49
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| first_mask_count
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| first_start_index
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216
| 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 12
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| original_smiles
stringlengths 12
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<|startoftext|><L>C[C@<mask_1:3>n1cccn1)(NC(=O)C1CC1)C(=O)O<mask_1:3> | 4 | 4 | 3 | @](C | 3 | C[C@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | ](C |
<|startoftext|><L>C[C@@](Cn1cccn1)(NC<mask_1:4>=O)C1CC1)C(=O)O<mask_1:4> | 1 | 19 | 4 | ( | 4 | C[C@@](Cn1cccn1)(NCCNC(=O)C1CC1)C(=O)O | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | CNC( |
<|startoftext|><L>C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(<mask_1:5>=O)O<mask_1:5> | 0 | 31 | 5 | 5 | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)C(=O)O | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | =O)C( |
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<|startoftext|><L>C[C@@](Cn1cccn1)(NC(=O)C1CC<mask_1:4>(=O)O<mask_1:4> | 3 | 27 | 4 | 1)C | 4 | C[C@@](Cn1cccn1)(NC(=O)C1CCC1)C(=O)O | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | C1)C |
<|startoftext|><L>C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(<mask_1:5>)O<mask_1:5> | 2 | 31 | 5 | =O | 4 | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(F)(F)O | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | F)(F |
<|startoftext|><L>C[C@@](Cn1cccn1)(NC(=O)C1<mask_1:4>C1)C(=O)O<mask_1:4> | 1 | 25 | 4 | C | 4 | C[C@@](Cn1cccn1)(NC(=O)C1CCCCC1)C(=O)O | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | CCCC |
<|startoftext|><L>C[C@@](Cn1cccn1)(NC(=O)C1CC<mask_1:3>C(=O)O<mask_1:3> | 2 | 27 | 3 | 1) | 3 | C[C@@](Cn1cccn1)(NC(=O)C1CCC1)C(=O)O | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | C1) |
<|startoftext|><L>C[C<mask_1:4>n1cccn1)(NC(=O)C1CC1)C(=O)O<mask_1:4> | 5 | 3 | 4 | @@](C | 4 | C[C@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | @](C |
<|startoftext|><L>C[C<mask_1:2>Cn1cccn1)(NC(=O)C1CC1)C(=O)O<mask_1:2> | 4 | 3 | 2 | @@]( | 2 | C[C](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | ]( |
<|startoftext|><L>C[C@@](Cn1cccn1)(NC(=O)C<mask_1:4>CC1)C(=O)O<mask_1:4> | 1 | 24 | 4 | 1 | 4 | C[C@@](Cn1cccn1)(NC(=O)C1CCCCC1)C(=O)O | C[C@@](Cn1cccn1)(NC(=O)C1CC1)C(=O)O | 1CCC |
<|startoftext|><L>CCN(C)<mask_1:5>[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO<mask_1:5> | 1 | 6 | 5 | C | 5 | CCN(C)C(=O)[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | C(=O) |
<|startoftext|><L>CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[<mask_1:4>1CO<mask_1:4> | 5 | 36 | 4 | C@@H] | 4 | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@H]1CO | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | C@H] |
<|startoftext|><L>CCN(C)C[C@@H<mask_1:5>1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO<mask_1:5> | 1 | 12 | 5 | ] | 5 | CCN(C)C[C@@H](O)C1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | ](O)C |
<|startoftext|><L>CCN(C)C[<mask_1:2>1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO<mask_1:2> | 5 | 8 | 2 | C@@H] | 2 | CCN(C)C[C]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | C] |
<|startoftext|><L>CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C<mask_1:3>[C@@H]1CO<mask_1:3> | 0 | 35 | 3 | 3 | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)CCOC[C@@H]1CO | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | COC |
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<|startoftext|><L>CCN(C)C[C<mask_1:6>CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO<mask_1:6> | 5 | 9 | 6 | @@H]1 | 6 | CCN(C)C[C@@H]1CCN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | @@H]1C |
<|startoftext|><L>CCN(C)C[<mask_1:3>]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO<mask_1:3> | 4 | 8 | 3 | C@@H | 3 | CCN(C)C[C@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | C@H |
<|startoftext|><L>CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@<mask_1:2>CO<mask_1:2> | 4 | 38 | 2 | @H]1 | 2 | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@]1CO | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | ]1 |
<|startoftext|><L>CCN(C)C[C@@H]1C<mask_1:4>N(Cc2ccc(F)c(F)c2F)C[C@@H]1CO<mask_1:4> | 0 | 15 | 4 | 4 | CCN(C)C[C@@H]1C(=O)N(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | (=O) |
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<|startoftext|><L>CCN(<mask_1:3>C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO<mask_1:3> | 4 | 4 | 3 | C)C[ | 3 | CCN(C)[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | CCN(C)C[C@@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1CO | C)[ |
<|startoftext|><L>CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](<mask_1:3>C(C)C)O1<mask_1:3> | 0 | 33 | 3 | 3 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C=CC(C)C)O1 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | C=C |
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<|startoftext|><L>CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C<mask_1:6>)O1<mask_1:6> | 2 | 36 | 6 | )C | 6 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)(C)CO)O1 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | )(C)CO |
<|startoftext|><L>CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(<mask_1:4>)O1<mask_1:4> | 3 | 35 | 4 | C)C | 4 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)=O)O1 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | C)=O |
<|startoftext|><L>CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(<mask_1:2>)C)O1<mask_1:2> | 1 | 35 | 2 | C | 2 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(=O)C)O1 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | =O |
<|startoftext|><L>CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(<mask_1:4>)C)O1<mask_1:4> | 1 | 35 | 4 | C | 4 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)(C)C)O1 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | C)(C |
<|startoftext|><L>CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C<mask_1:6>O1<mask_1:6> | 3 | 36 | 6 | )C) | 6 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)(C)C)O1 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | )(C)C) |
<|startoftext|><L>CC(C)=CCC[C@@]1(C)OCC(C)(C)[C<mask_1:2>(C(C)C)O1<mask_1:2> | 3 | 29 | 2 | @H] | 2 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[CH](C(C)C)O1 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | H] |
<|startoftext|><L>CC(C)=CCC[C@@]1(C)OCC(<mask_1:3>)[C@H](C(C)C)O1<mask_1:3> | 4 | 22 | 3 | C)(C | 3 | CC(C)=CCC[C@@]1(C)OCC(C=C)[C@H](C(C)C)O1 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | C=C |
<|startoftext|><L>CC(C)=CCC[C@@]1(C)<mask_1:5>C)(C)[C@H](C(C)C)O1<mask_1:5> | 4 | 18 | 5 | OCC( | 5 | CC(C)=CCC[C@@]1(C)COC(CC)(C)[C@H](C(C)C)O1 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | COC(C |
<|startoftext|><L>CC(C)=CC<mask_1:2>@]1(C)OCC(C)(C)[C@H](C(C)C)O1<mask_1:2> | 4 | 8 | 2 | C[C@ | 2 | CC(C)=CC[C@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | CC(C)=CCC[C@@]1(C)OCC(C)(C)[C@H](C(C)C)O1 | [C |
<|startoftext|><L>COc1cc<mask_1:5>(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1<mask_1:5> | 3 | 6 | 5 | c(C | 5 | COc1ccc(OCC(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | c(OCC |
<|startoftext|><L>COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2<mask_1:4>(Cl)Cl)cc1<mask_1:4> | 6 | 42 | 4 | )C(Cl) | 4 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C=C(Cl)Cl)cc1 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | )C=C |
<|startoftext|><L>COc1ccc(C(=O)<mask_1:7>N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1<mask_1:7> | 0 | 13 | 7 | 7 | COc1ccc(C(=O)CCC(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | CCC(=O) |
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<|startoftext|><L><mask_1:7>ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1<mask_1:7> | 4 | 0 | 7 | COc1 | 7 | CC(C)c1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | CC(C)c1 |
<|startoftext|><L>COc1ccc(C(=O)N[C@@H](Nc2cc<mask_1:6>=O)=O)cc2)C(Cl)(Cl)Cl)cc1<mask_1:6> | 7 | 26 | 6 | c(S(N)( | 7 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | c(S(N)( |
<|startoftext|><L>COc1ccc(C(=O)N[<mask_1:7>Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1<mask_1:7> | 6 | 15 | 7 | C@@H]( | 7 | COc1ccc(C(=O)N[C@H](CCNc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | C@H](CC |
<|startoftext|><L>COc1ccc(<mask_1:1>N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1<mask_1:1> | 5 | 8 | 1 | C(=O) | 1 | COc1ccc(CN[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | C |
<|startoftext|><L>COc1ccc(C(=O)N[C@@H](Nc2ccc(<mask_1:3>)=O)cc2)C(Cl)(Cl)Cl)cc1<mask_1:3> | 7 | 28 | 3 | S(N)(=O | 3 | COc1ccc(C(=O)N[C@@H](Nc2ccc(C(N)=O)cc2)C(Cl)(Cl)Cl)cc1 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | C(N |
<|startoftext|><L>COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C<mask_1:7>Cl)cc1<mask_1:7> | 8 | 44 | 7 | (Cl)(Cl) | 8 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | (Cl)(Cl) |
<|startoftext|><L>COc1ccc(C(=O)N[C@@H](Nc<mask_1:8>(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1<mask_1:8> | 6 | 23 | 8 | 2ccc(S | 8 | COc1ccc(C(=O)N[C@@H](Nc2ccc(NNS(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | COc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 | 2ccc(NNS |
<|startoftext|><L>CCc1ccccc1NC(=O)N1CCN(c2cc<mask_1:5>(-n3cccc3)nn2)CC1<mask_1:5> | 1 | 26 | 5 | c | 5 | CCc1ccccc1NC(=O)N1CCN(c2cc(Cl)c(-n3cccc3)nn2)CC1 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | (Cl)c |
<|startoftext|><L>CCc1ccccc1NC<mask_1:4>=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1<mask_1:4> | 1 | 12 | 4 | ( | 4 | CCc1ccccc1NCCNC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | CNC( |
<|startoftext|><L>CCc1ccccc1NC<mask_1:2>=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1<mask_1:2> | 1 | 12 | 2 | ( | 2 | CCc1ccccc1NCC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | C( |
<|startoftext|><L>CCc1ccccc1NC(=O)N1CCN<mask_1:6>cc(-n3cccc3)nn2)CC1<mask_1:6> | 4 | 21 | 6 | (c2c | 6 | CCc1ccccc1NC(=O)N1CCN(CCCn2cc(-n3cccc3)nn2)CC1 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | (CCCn2 |
<|startoftext|><L>CCc1ccccc1NC(=O)N1C<mask_1:6>ccc(-n3cccc3)nn2)CC1<mask_1:6> | 5 | 19 | 6 | CN(c2 | 6 | CCc1ccccc1NC(=O)N1CCN(Cc2ccc(-n3cccc3)nn2)CC1 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | CN(Cc2 |
<|startoftext|><L>CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3<mask_1:5>2)CC1<mask_1:5> | 3 | 36 | 5 | )nn | 5 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3OC)nn2)CC1 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | OC)nn |
<|startoftext|><L>CCc1ccccc1NC(=O<mask_1:5>(c2ccc(-n3cccc3)nn2)CC1<mask_1:5> | 6 | 15 | 5 | )N1CCN | 5 | CCc1ccccc1NC(=O)C1CC(c2ccc(-n3cccc3)nn2)CC1 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | )C1CC |
<|startoftext|><L><mask_1:5>CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1<mask_1:5> | 0 | 0 | 5 | 5 | CC(C)CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | CC(C) |
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<|startoftext|><L>CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)<mask_1:5>CC1<mask_1:5> | 0 | 41 | 5 | 5 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)C(=O)CC1 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | C(=O) |
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<|startoftext|><L>CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3ccc<mask_1:4>3)nn2)CC1<mask_1:4> | 1 | 34 | 4 | c | 4 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 | CCc1ccccc1NC(=O)N1CCN(c2ccc(-n3cccc3)nn2)CC1 | (C)n |
<|startoftext|><L>O=<mask_1:5>(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1<mask_1:5> | 6 | 2 | 5 | C(CCNS | 5 | O=C(CCS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | C(CCS |
<|startoftext|><L>O=C(CCNS(=O)(=O)c1cccs<mask_1:6>CN(C(=O)c2cccs2)CC1<mask_1:6> | 5 | 22 | 6 | 1)N1C | 6 | O=C(CCNS(=O)(=O)c1cccs1)NC1CCN(C(=O)c2cccs2)CC1 | O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | 1)NC1C |
<|startoftext|><L>O=C(C<mask_1:4>(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1<mask_1:4> | 3 | 5 | 4 | CNS | 4 | O=C(CCCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | CCNS |
<|startoftext|><L>O=C(CCNS(=O)(=O)c1cccs1<mask_1:4>(C(=O)c2cccs2)CC1<mask_1:4> | 6 | 23 | 4 | )N1CCN | 4 | O=C(CCNS(=O)(=O)c1cccs1)NC1(C(=O)c2cccs2)CC1 | O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | )NC1 |
<|startoftext|><L>O=C(CCNS(=O)(=O)c1cccs1<mask_1:3>CN(C(=O)c2cccs2)CC1<mask_1:3> | 4 | 23 | 3 | )N1C | 3 | O=C(CCNS(=O)(=O)c1cccs1)C1CN(C(=O)c2cccs2)CC1 | O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | )C1 |
<|startoftext|><L>O=C(CC<mask_1:1>(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1<mask_1:1> | 6 | 6 | 1 | NS(=O) | 1 | O=C(CCC(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | C |
<|startoftext|><L>O=C(CCNS(=O)(=O)c1c<mask_1:4>1)N1CCN(C(=O)c2cccs2)CC1<mask_1:4> | 3 | 19 | 4 | ccs | 4 | O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 | O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | cccc |
<|startoftext|><L>O=C(CCNS(=O)(=<mask_1:6>ccs1)N1CCN(C(=O)c2cccs2)CC1<mask_1:6> | 5 | 14 | 6 | O)c1c | 6 | O=C(CCNS(=O)(=O)Cc1cccs1)N1CCN(C(=O)c2cccs2)CC1 | O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | O)Cc1c |
<|startoftext|><L>O=C(CCNS(=O<mask_1:6>(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1<mask_1:6> | 1 | 11 | 6 | ) | 6 | O=C(CCNS(=O)(=O)C(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | )(=O)C |
<|startoftext|><L>O=<mask_1:3>NS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1<mask_1:3> | 4 | 2 | 3 | C(CC | 3 | O=C(CNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | O=C(CCNS(=O)(=O)c1cccs1)N1CCN(C(=O)c2cccs2)CC1 | C(C |
<|startoftext|><L><mask_1:7>C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O<mask_1:7> | 3 | 0 | 7 | CN1 | 7 | C/C=C1\C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | C/C=C1\ |
<|startoftext|><L>CN1C(=O)[C@@H](CC(=O)NCc2c<mask_1:7>cc2OC(F)(F)F)N(C)C1=O<mask_1:7> | 2 | 26 | 7 | cc | 7 | CN1C(=O)[C@@H](CC(=O)NCc2cc(C#N)ccc2OC(F)(F)F)N(C)C1=O | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | c(C#N)c |
<|startoftext|><L>CN1C(=O)[C@@H](CC(=O)NCc2ccccc2<mask_1:3>(F)F)N(C)C1=O<mask_1:3> | 5 | 31 | 3 | OC(F) | 3 | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OCC(F)F)N(C)C1=O | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | OCC |
<|startoftext|><L>CN1C(=O<mask_1:4>)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O<mask_1:4> | 0 | 7 | 4 | 4 | CN1C(=O)N(C)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | )N(C |
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<|startoftext|><L>CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC<mask_1:2>(F)F)N(C)C1=O<mask_1:2> | 3 | 33 | 2 | (F) | 2 | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OCCC(F)F)N(C)C1=O | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | CC |
<|startoftext|><L>CN1C(=O)[C@@H](C<mask_1:5>Cc2ccccc2OC(F)(F)F)N(C)C1=O<mask_1:5> | 6 | 16 | 5 | C(=O)N | 5 | CN1C(=O)[C@@H](C(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | (=O)N |
<|startoftext|><L>CN1C(=O)[<mask_1:6>C(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O<mask_1:6> | 7 | 9 | 6 | C@@H](C | 6 | CN1C(=O)[C@@H](C(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | C@@H]( |
<|startoftext|><L>CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F<mask_1:1>C)C1=O<mask_1:1> | 5 | 38 | 1 | )F)N( | 1 | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)C)C1=O | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | ) |
<|startoftext|><L>CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)<mask_1:5>)C1=O<mask_1:5> | 3 | 41 | 5 | N(C | 5 | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C=O)C1=O | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | N(C=O |
<|startoftext|><L>CN1C(=O)<mask_1:4>@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O<mask_1:4> | 2 | 8 | 4 | [C | 4 | CN1C(=O)CC[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | CN1C(=O)[C@@H](CC(=O)NCc2ccccc2OC(F)(F)F)N(C)C1=O | CC[C |
<|startoftext|><L>COc1cc(/C=C2/C=C(c3cc<mask_1:6>)OC2=O)cc(OC)c1OC<mask_1:6> | 4 | 21 | 6 | ccc3 | 6 | COc1cc(/C=C2/C=C(c3ccccc3OC)OC2=O)cc(OC)c1OC | COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | ccc3OC |
<|startoftext|><L>COc1cc(<mask_1:6>2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC<mask_1:6> | 4 | 7 | 6 | /C=C | 6 | COc1cc(/C=C/C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | /C=C/C |
<|startoftext|><L>COc1cc(/C=C2/C=C(<mask_1:5>3ccccc3)OC2=O)cc(OC)c1OC<mask_1:5> | 1 | 17 | 5 | c | 5 | COc1cc(/C=C2/C=C(C)N(c3ccccc3)OC2=O)cc(OC)c1OC | COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | C)N(c |
<|startoftext|><L><mask_1:3>c1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC<mask_1:3> | 2 | 0 | 3 | CO | 3 | CCOc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | CCO |
<|startoftext|><L><mask_1:6>Oc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC<mask_1:6> | 1 | 0 | 6 | C | 6 | CC(=O)Oc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | CC(=O) |
<|startoftext|><L>COc1cc(/C=C2/C=C(c3ccccc3)O<mask_1:4>C2=O)cc(OC)c1OC<mask_1:4> | 0 | 27 | 4 | 4 | COc1cc(/C=C2/C=C(c3ccccc3)OC=C/C2=O)cc(OC)c1OC | COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | C=C/ |
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<|startoftext|><L>COc1cc(/C=C2/C=C(c3<mask_1:4>3)OC2=O)cc(OC)c1OC<mask_1:4> | 5 | 19 | 4 | ccccc | 4 | COc1cc(/C=C2/C=C(c3cccs3)OC2=O)cc(OC)c1OC | COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | cccs |
<|startoftext|><L>COc1cc(/C=C2/C=C(c3ccc<mask_1:4>)OC2=O)cc(OC)c1OC<mask_1:4> | 3 | 22 | 4 | cc3 | 4 | COc1cc(/C=C2/C=C(c3ccccc3C)OC2=O)cc(OC)c1OC | COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | cc3C |
<|startoftext|><L>COc1cc(/C=C<mask_1:4>C=C(c3ccccc3)OC2=O)cc(OC)c1OC<mask_1:4> | 2 | 11 | 4 | 2/ | 4 | COc1cc(/C=C2\N=C=C(c3ccccc3)OC2=O)cc(OC)c1OC | COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | 2\N= |
<|startoftext|><L><mask_1:1>1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC<mask_1:1> | 3 | 0 | 1 | COc | 1 | c1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | COc1cc(/C=C2/C=C(c3ccccc3)OC2=O)cc(OC)c1OC | c |
<|startoftext|><L>Cc1csc(N<mask_1:2>2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1<mask_1:2> | 0 | 8 | 2 | 2 | Cc1csc(NCN2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | CN |
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<|startoftext|><L>Cc1csc(N2CCN(Cc3c(C)noc3<mask_1:4>@@H]2C)n1<mask_1:4> | 5 | 24 | 4 | C)C[C | 4 | Cc1csc(N2CCN(Cc3c(C)noc3C)[C@@H]2C)n1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | C)[C |
<|startoftext|><L>Cc1csc(N2CCN(Cc3c<mask_1:5>C)noc3C)C[C@@H]2C)n1<mask_1:5> | 1 | 17 | 5 | ( | 5 | Cc1csc(N2CCN(Cc3c(C(C)C)noc3C)C[C@@H]2C)n1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | (C(C) |
<|startoftext|><L>Cc1csc(N2C<mask_1:2>N(Cc3c(C)noc3C)C[C@@H]2C)n1<mask_1:2> | 1 | 10 | 2 | C | 2 | Cc1csc(N2CCCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | CC |
<|startoftext|><L>Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C<mask_1:1>)n1<mask_1:1> | 0 | 35 | 1 | 1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2CO)n1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | O |
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<|startoftext|><L>Cc1csc(N2CCN(Cc3c(C)noc3C)C[<mask_1:5>]2C)n1<mask_1:5> | 4 | 28 | 5 | C@@H | 4 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | C@@H |
<|startoftext|><L>Cc1csc(N2C<mask_1:3>c3c(C)noc3C)C[C@@H]2C)n1<mask_1:3> | 4 | 10 | 3 | CN(C | 3 | Cc1csc(N2CN(Cc3c(C)noc3C)C[C@@H]2C)n1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | N(C |
<|startoftext|><L>Cc1csc<mask_1:5>N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1<mask_1:5> | 1 | 6 | 5 | ( | 5 | Cc1csc(CNCCN2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | (CNCC |
<|startoftext|><L>Cc1cs<mask_1:4>N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1<mask_1:4> | 2 | 5 | 4 | c( | 4 | Cc1csc(CCN2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | c(CC |
<|startoftext|><L>Cc1csc(N2CCN(<mask_1:4>c(C)noc3C)C[C@@H]2C)n1<mask_1:4> | 3 | 13 | 4 | Cc3 | 4 | Cc1csc(N2CCN(CCc3c(C)noc3C)C[C@@H]2C)n1 | Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@@H]2C)n1 | CCc3 |
<|startoftext|><L>O=C(NCc1cccs<mask_1:3>c1cnc2ccccc2n1<mask_1:3> | 2 | 12 | 3 | 1) | 3 | O=C(NCc1cccs1)Nc1cnc2ccccc2n1 | O=C(NCc1cccs1)c1cnc2ccccc2n1 | 1)N |
<|startoftext|><L>O=C(NCc1cccs1<mask_1:3>1cnc2ccccc2n1<mask_1:3> | 2 | 13 | 3 | )c | 3 | O=C(NCc1cccs1)Nc1cnc2ccccc2n1 | O=C(NCc1cccs1)c1cnc2ccccc2n1 | )Nc |
<|startoftext|><L>O=C(NCc1ccc<mask_1:4>c1cnc2ccccc2n1<mask_1:4> | 3 | 11 | 4 | s1) | 4 | O=C(NCc1ccccn1)c1cnc2ccccc2n1 | O=C(NCc1cccs1)c1cnc2ccccc2n1 | cn1) |
<|startoftext|><L>O=C(NCc1cc<mask_1:4>cs1)c1cnc2ccccc2n1<mask_1:4> | 0 | 10 | 4 | 4 | O=C(NCc1cc(CO)cs1)c1cnc2ccccc2n1 | O=C(NCc1cccs1)c1cnc2ccccc2n1 | (CO) |
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<|startoftext|><L>O=C(N<mask_1:1>1cccs1)c1cnc2ccccc2n1<mask_1:1> | 2 | 5 | 1 | Cc | 1 | O=C(Nc1cccs1)c1cnc2ccccc2n1 | O=C(NCc1cccs1)c1cnc2ccccc2n1 | c |
<|startoftext|><L>O<mask_1:3>Cc1cccs1)c1cnc2ccccc2n1<mask_1:3> | 4 | 1 | 3 | =C(N | 3 | O=C(Cc1cccs1)c1cnc2ccccc2n1 | O=C(NCc1cccs1)c1cnc2ccccc2n1 | =C( |
<|startoftext|><L>O=C(N<mask_1:1>ccs1)c1cnc2ccccc2n1<mask_1:1> | 4 | 5 | 1 | Cc1c | 1 | O=C(N1ccs1)c1cnc2ccccc2n1 | O=C(NCc1cccs1)c1cnc2ccccc2n1 | 1 |
<|startoftext|><L>O=C(NCc1cccs1)<mask_1:2>c2ccccc2n1<mask_1:2> | 4 | 14 | 2 | c1cn | 2 | O=C(NCc1cccs1)c1c2ccccc2n1 | O=C(NCc1cccs1)c1cnc2ccccc2n1 | c1 |
<|startoftext|><L>O=C(<mask_1:1>1cccs1)c1cnc2ccccc2n1<mask_1:1> | 3 | 4 | 1 | NCc | 1 | O=C(c1cccs1)c1cnc2ccccc2n1 | O=C(NCc1cccs1)c1cnc2ccccc2n1 | c |
<|startoftext|><L>O=<mask_1:4>Cc1cccs1)c1cnc2ccccc2n1<mask_1:4> | 3 | 2 | 4 | C(N | 4 | O=C(NCCc1cccs1)c1cnc2ccccc2n1 | O=C(NCc1cccs1)c1cnc2ccccc2n1 | C(NC |