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stringlengths 49
262
| first_mask_count
int64 0
16
| first_start_index
int64 0
216
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 12
233
| original_smiles
stringlengths 12
224
| generated_tokens
stringlengths 0
18
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>COc1<mask_1:5>cc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC<mask_1:5> | 1 | 4 | 5 | c | 5 | COc1c(OC)cc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | c(OC) |
<|startoftext|><L>COc1ccc(C(=O)NCC(=O)NCCC<mask_1:4>ccccc2)cc1OC<mask_1:4> | 3 | 24 | 4 | Oc2 | 4 | COc1ccc(C(=O)NCC(=O)NCCCOCc2ccccc2)cc1OC | COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | OCc2 |
<|startoftext|><L>C<mask_1:4>c1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC<mask_1:4> | 1 | 1 | 4 | O | 4 | CN(C)c1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | N(C) |
<|startoftext|><L><mask_1:4>1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC<mask_1:4> | 3 | 0 | 4 | COc | 4 | CCOc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | CCOc |
<|startoftext|><L>COc1ccc(C(=O)NCC(<mask_1:4>CCOc2ccccc2)cc1OC<mask_1:4> | 5 | 17 | 4 | =O)NC | 4 | COc1ccc(C(=O)NCC(=O)NCCOc2ccccc2)cc1OC | COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | =O)N |
<|startoftext|><L>C<mask_1:1>1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC<mask_1:1> | 2 | 1 | 1 | Oc | 1 | Cc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | c |
<|startoftext|><L><mask_1:5>COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC<mask_1:5> | 0 | 0 | 5 | 5 | CC(C)COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | CC(C) |
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<|startoftext|><L>COc1ccc(C(=O)NCC(=O)NCCCOc2cccc<mask_1:4>2)cc1OC<mask_1:4> | 1 | 31 | 4 | c | 4 | COc1ccc(C(=O)NCC(=O)NCCCOc2cccc(C)c2)cc1OC | COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | (C)c |
<|startoftext|><L>COc1ccc(C(=O)NCC(=O)NC<mask_1:2>2ccccc2)cc1OC<mask_1:2> | 4 | 22 | 2 | CCOc | 2 | COc1ccc(C(=O)NCC(=O)NCCc2ccccc2)cc1OC | COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | Cc |
<|startoftext|><L>COc1ccc(C(=O<mask_1:5>C(=O)NCCCOc2ccccc2)cc1OC<mask_1:5> | 3 | 12 | 5 | )NC | 5 | COc1ccc(C(=O)N(C)C(=O)NCCCOc2ccccc2)cc1OC | COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC | )N(C) |
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N<mask_1:5>H]1CCCCc2ccccc21<mask_1:5> | 3 | 25 | 5 | [C@ | 5 | CSCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CCCCc2ccccc21 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | C[C@@ |
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N[C@H]<mask_1:1>Cc2ccccc21<mask_1:1> | 4 | 30 | 1 | 1CCC | 1 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1Cc2ccccc21 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | 1 |
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N<mask_1:6>C@H]1CCCCc2ccccc21<mask_1:6> | 1 | 25 | 6 | [ | 6 | CSCC[C@@H](NC(N)=O)C(=O)N(C)CC[C@H]1CCCCc2ccccc21 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | (C)CC[ |
<|startoftext|><L>CSCC[C@@H](<mask_1:6>N)=O)C(=O)N[C@H]1CCCCc2ccccc21<mask_1:6> | 3 | 11 | 6 | NC( | 6 | CSCC[C@@H](NS(C)(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | NS(C)( |
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O<mask_1:5>[C@H]1CCCCc2ccccc21<mask_1:5> | 2 | 23 | 5 | )N | 5 | CSCC[C@@H](NC(N)=O)C(=O)N(C)[C@H]1CCCCc2ccccc21 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | )N(C) |
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1<mask_1:3>c2ccccc21<mask_1:3> | 4 | 31 | 3 | CCCC | 3 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCc2ccccc21 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | CCC |
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N[C@H]<mask_1:1>c2ccccc21<mask_1:1> | 5 | 30 | 1 | 1CCCC | 1 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1c2ccccc21 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | 1 |
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2cc<mask_1:3>ccc21<mask_1:3> | 0 | 39 | 3 | 3 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2cc(F)ccc21 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | (F) |
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<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N<mask_1:5>]1CCCCc2ccccc21<mask_1:5> | 4 | 25 | 5 | [C@H | 5 | CSCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCCc2ccccc21 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | [C@@H |
<|startoftext|><L><mask_1:2>[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21<mask_1:2> | 4 | 0 | 2 | CSCC | 2 | CC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21 | CC |
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C@@H<mask_1:4>c4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:4> | 3 | 25 | 4 | ]3C | 4 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3CCc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | ]3CC |
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br<mask_1:6>]32)c1Cc1ccccc1<mask_1:6> | 8 | 36 | 6 | )cc4[C@H | 6 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C]32)c1Cc1ccccc1 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | )cc4[C |
<|startoftext|><L>Cn1ncc(C(=O)N[C@@<mask_1:8>@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:8> | 5 | 17 | 8 | H]2[C | 8 | Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | H]2CCC[C |
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1cc<mask_1:8>ccc1<mask_1:8> | 0 | 55 | 8 | 8 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1-n1cccc1 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | ccc1-n1c |
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<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4cc<mask_1:4>cc4[C@H]32)c1Cc1ccccc1<mask_1:4> | 5 | 32 | 4 | c(Br) | 4 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@H]32)c1Cc1ccccc1 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | (F)c |
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C<mask_1:7>Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:7> | 5 | 22 | 7 | @@H]3 | 7 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3COCc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | @@H]3CO |
<|startoftext|><L><mask_1:8>Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:8> | 0 | 0 | 8 | 8 | CNC(=O)CCn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | CNC(=O)C |
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<|startoftext|><L>Cn1ncc(<mask_1:5>)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:5> | 4 | 7 | 5 | C(=O | 5 | Cn1ncc(NC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | NC(=O |
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H<mask_1:6>[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:6> | 2 | 18 | 6 | ]2 | 6 | Cn1ncc(C(=O)N[C@@H]2CCCC[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | ]2CCCC |
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4<mask_1:8>r)cc4[C@H]32)c1Cc1ccccc1<mask_1:8> | 5 | 30 | 8 | ccc(B | 8 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)c(Br)cc4[C@H]32)c1Cc1ccccc1 | Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 | cc(F)c(B |
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)<mask_1:1>N2CC[C@@H](C(=O)O)C2)cc1<mask_1:1> | 0 | 19 | 1 | 1 | CCCOc1ccc(S(=O)(=O)NN2CC[C@@H](C(=O)O)C2)cc1 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | N |
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<|startoftext|><L>CCCOc1ccc(S(=O)(<mask_1:1>)N2CC[C@@H](C(=O)O)C2)cc1<mask_1:1> | 2 | 16 | 1 | =O | 1 | CCCOc1ccc(S(=O)(N)N2CC[C@@H](C(=O)O)C2)cc1 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | N |
<|startoftext|><L>CCCOc1ccc(S(=O<mask_1:1>2CC[C@@H](C(=O)O)C2)cc1<mask_1:1> | 6 | 14 | 1 | )(=O)N | 1 | CCCOc1ccc(S(=O)2CC[C@@H](C(=O)O)C2)cc1 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | ) |
<|startoftext|><L>CCCOc1ccc(<mask_1:6>S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1<mask_1:6> | 0 | 10 | 6 | 6 | CCCOc1ccc(C(=O)NS(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | C(=O)N |
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<|startoftext|><L>CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=<mask_1:2>)C2)cc1<mask_1:2> | 3 | 33 | 2 | O)O | 2 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O))C2)cc1 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | O) |
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)<mask_1:6>N2CC[C@@H](C(=O)O)C2)cc1<mask_1:6> | 0 | 19 | 6 | 6 | CCCOc1ccc(S(=O)(=O)NC(=O)N2CC[C@@H](C(=O)O)C2)cc1 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | NC(=O) |
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<|startoftext|><L>CCC<mask_1:2>c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1<mask_1:2> | 1 | 3 | 2 | O | 2 | CCCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | CO |
<|startoftext|><L>CCCOc1ccc(<mask_1:3>=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1<mask_1:3> | 2 | 10 | 3 | S( | 3 | CCCOc1ccc(CS(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | CS( |
<|startoftext|><L>CCCOc1ccc(S(=O)(<mask_1:5>N2CC[C@@H](C(=O)O)C2)cc1<mask_1:5> | 3 | 16 | 5 | =O) | 5 | CCCOc1ccc(S(=O)(=O)NCN2CC[C@@H](C(=O)O)C2)cc1 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | =O)NC |
<|startoftext|><L>CC<mask_1:5>Oc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1<mask_1:5> | 1 | 2 | 5 | C | 5 | CCCCCCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1 | CCCCC |
<|startoftext|><L>C[C@]1(CCC(=<mask_1:4>O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:4> | 0 | 12 | 4 | 4 | C[C@]1(CCC(=O)N(O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | O)N( |
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<|startoftext|><L>C[C@]1(CCC(=<mask_1:5>C[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:5> | 6 | 12 | 5 | O)N2CC | 5 | C[C@]1(CCC(=O)N2CC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | O)N2C |
<|startoftext|><L>C<mask_1:3>CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:3> | 6 | 1 | 3 | [C@]1( | 3 | CC1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | C1( |
<|startoftext|><L>C[C@]1<mask_1:6>C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:6> | 3 | 6 | 6 | (CC | 6 | C[C@]1(CN(C)C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | (CN(C) |
<|startoftext|><L>C[C@]1(CCC(=O)N2CCC[C@<mask_1:5>nc3ccccc3s2)CCC(=O)N1<mask_1:5> | 6 | 22 | 5 | @H]2c2 | 5 | C[C@]1(CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CCC(=O)N1 | C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | H]2c2 |
<|startoftext|><L>C[C@]1(CCC(=O)N<mask_1:5>@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:5> | 7 | 15 | 5 | 2CCC[C@ | 5 | C[C@]1(CCC(=O)N2CC[C@H]2c2nc3ccccc3s2)CCC(=O)N1 | C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | 2CC[C |
<|startoftext|><L>C[C@]1(CCC<mask_1:2>=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:2> | 1 | 10 | 2 | ( | 2 | C[C@]1(CCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | C( |
<|startoftext|><L>C[C@]1(CCC(=O<mask_1:5>2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:5> | 2 | 13 | 5 | )N | 5 | C[C@]1(CCC(=O)NCCN2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | )NCCN |
<|startoftext|><L>C[C@]1(CCC(=O)N2CCC[C<mask_1:3>2c2nc3ccccc3s2)CCC(=O)N1<mask_1:3> | 4 | 21 | 3 | @@H] | 3 | C[C@]1(CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CCC(=O)N1 | C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | @H] |
<|startoftext|><L>C[C@]1(C<mask_1:7>(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:7> | 2 | 8 | 7 | CC | 7 | C[C@]1(C(=O)NCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1 | (=O)NCC |
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(=O)<mask_1:5>C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:5> | 1 | 23 | 5 | [ | 5 | Cc1ccc(NC(=O)CN(C)C(=O)CCCC[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | CCCC[ |
<|startoftext|><L><mask_1:5>Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:5> | 0 | 0 | 5 | 5 | CC(C)Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | CC(C) |
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<|startoftext|><L>Cc1ccc(NC(=O)CN<mask_1:4>C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:4> | 1 | 15 | 4 | ( | 4 | Cc1ccc(NC(=O)CN(CCOC)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | (CCO |
<|startoftext|><L>Cc1ccc(<mask_1:3>CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:3> | 6 | 7 | 3 | NC(=O) | 3 | Cc1ccc(COCCN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | COC |
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc<mask_1:3>CC2)cc1<mask_1:3> | 7 | 43 | 3 | (F)cc3) | 3 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3cccs3)CC2)cc1 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | s3) |
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(=O)[C@@<mask_1:2>C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:2> | 3 | 27 | 2 | H]( | 2 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | ]( |
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(<mask_1:8>C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:8> | 4 | 20 | 8 | =O)[ | 8 | Cc1ccc(NC(=O)CN(C)C(=O)N(C)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | =O)N(C)[ |
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3c<mask_1:4>c(F)cc3)CC2)cc1<mask_1:4> | 1 | 41 | 4 | c | 4 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3cc(F)c(F)cc3)CC2)cc1 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | c(F) |
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(=O)[C<mask_1:8>C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:8> | 5 | 25 | 8 | @@H]( | 8 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](CCSC)N2CCN(c3ccc(F)cc3)CC2)cc1 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | @@H](CCS |
<|startoftext|><L>Cc1c<mask_1:7>(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:7> | 5 | 4 | 7 | cc(NC | 7 | Cc1ccc(CCNC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 | cc(CCNC |
<|startoftext|><L>CCc1ccc(O[C@@H](C)C(=O<mask_1:6>(SCc3ccccc3F)s2)cc1<mask_1:6> | 7 | 22 | 6 | )Nc2nnc | 6 | CCc1ccc(O[C@@H](C)C(=O)c2nnc(SCc3ccccc3F)s2)cc1 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | )c2nnc |
<|startoftext|><L>CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3<mask_1:2>c3F)s2)cc1<mask_1:2> | 4 | 34 | 2 | cccc | 2 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc3F)s2)cc1 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | cc |
<|startoftext|><L>CCc1ccc(O[C@@H](C<mask_1:1>)Nc2nnc(SCc3ccccc3F)s2)cc1<mask_1:1> | 5 | 17 | 1 | )C(=O | 1 | CCc1ccc(O[C@@H](CC)Nc2nnc(SCc3ccccc3F)s2)cc1 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | C |
<|startoftext|><L>CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3cc<mask_1:6>cc3F)s2)cc1<mask_1:6> | 1 | 36 | 6 | c | 6 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3F)s2)cc1 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | c(C#N) |
<|startoftext|><L>CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc<mask_1:5>F)s2)cc1<mask_1:5> | 1 | 39 | 5 | 3 | 5 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3C(F)F)s2)cc1 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | 3C(F) |
<|startoftext|><L>CCc1ccc(O[C@@H]<mask_1:7>(C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1<mask_1:7> | 0 | 15 | 7 | 7 | CCc1ccc(O[C@@H](CC)C=C(C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | (CC)C=C |
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<|startoftext|><L>CCc1ccc(O[C@@H](C<mask_1:1>Nc2nnc(SCc3ccccc3F)s2)cc1<mask_1:1> | 6 | 17 | 1 | )C(=O) | 1 | CCc1ccc(O[C@@H](C)Nc2nnc(SCc3ccccc3F)s2)cc1 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | ) |
<|startoftext|><L><mask_1:6>CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1<mask_1:6> | 0 | 0 | 6 | 6 | CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | CC(=O) |
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<|startoftext|><L>CCc1ccc(O[C@@H](C)C(=O<mask_1:7>nnc(SCc3ccccc3F)s2)cc1<mask_1:7> | 4 | 22 | 7 | )Nc2 | 7 | CCc1ccc(O[C@@H](C)C(=O)NCCNc2nnc(SCc3ccccc3F)s2)cc1 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | )NCCNc2 |
<|startoftext|><L>CCc1ccc(O<mask_1:4>C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1<mask_1:4> | 7 | 9 | 4 | [C@@H]( | 4 | CCc1ccc(OCCN(C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 | CCN( |
<|startoftext|><L>O=C(N[C@@H]1CCCN(c2c<mask_1:5>cc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:5> | 1 | 20 | 5 | c | 5 | O=C(N[C@@H]1CCCN(c2cc(Cl)cc(F)c2)C1)c1cnc(-c2ccncc2)s1 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | c(Cl) |
<|startoftext|><L>O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2c<mask_1:5>ncc2)s1<mask_1:5> | 1 | 42 | 5 | c | 5 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2cc(Cl)ncc2)s1 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | c(Cl) |
<|startoftext|><L>O=C(N[C@@H]1CCCN(c2c<mask_1:7>c(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:7> | 2 | 20 | 7 | cc | 7 | O=C(N[C@@H]1CCCN(c2ccc(C#N)c(F)c2)C1)c1cnc(-c2ccncc2)s1 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | cc(C#N) |
<|startoftext|><L>O=C(N[C@@H]1C<mask_1:2>c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:2> | 4 | 13 | 2 | CCN( | 2 | O=C(N[C@@H]1CN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | N( |
<|startoftext|><L>O=C(N[C@@H]1CCCN(c2<mask_1:2>c(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:2> | 3 | 19 | 2 | ccc | 2 | O=C(N[C@@H]1CCCN(c2scc(F)c2)C1)c1cnc(-c2ccncc2)s1 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | sc |
<|startoftext|><L>O=C(N[C@@H<mask_1:5>(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:5> | 6 | 10 | 5 | ]1CCCN | 5 | O=C(N[C@@H]1CCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | ]1CCN |
<|startoftext|><L>O=C(<mask_1:7>@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:7> | 3 | 4 | 7 | N[C | 8 | O=C(N(CCO)[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | N(CCO)[C |
<|startoftext|><L>O=C(N[C@@H]1CCCN(c2cccc(F)c2<mask_1:5>c1cnc(-c2ccncc2)s1<mask_1:5> | 4 | 28 | 5 | )C1) | 5 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)Nc1cnc(-c2ccncc2)s1 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | )C1)N |
<|startoftext|><L>O<mask_1:5>@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:5> | 6 | 1 | 5 | =C(N[C | 5 | O=C([C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | =C([C |
<|startoftext|><L>O=C(N[C@@H]1CCCN(<mask_1:3>cccc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:3> | 2 | 17 | 3 | c2 | 3 | O=C(N[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1 | Cc2 |
<|startoftext|><L>Cc1cnc(NC(=O)c2cc(Br)ccc2<mask_1:5>cnnn2)s1<mask_1:5> | 3 | 25 | 5 | -n2 | 5 | Cc1cnc(NC(=O)c2cc(Br)ccc2OCc2ccnnn2)s1 | Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | OCc2c |
<|startoftext|><L><mask_1:4>c1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1<mask_1:4> | 1 | 0 | 4 | C | 4 | COCCc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | COCC |
<|startoftext|><L>Cc1cnc(NC(=O)c2cc(Br)<mask_1:4>cc2-n2cnnn2)s1<mask_1:4> | 1 | 21 | 4 | c | 4 | Cc1cnc(NC(=O)c2cc(Br)c(C)cc2-n2cnnn2)s1 | Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | c(C) |
<|startoftext|><L>Cc1cnc(NC(=O)c2cc<mask_1:5>ccc2-n2cnnn2)s1<mask_1:5> | 4 | 17 | 5 | (Br) | 5 | Cc1cnc(NC(=O)c2cc(C#N)ccc2-n2cnnn2)s1 | Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | (C#N) |
<|startoftext|><L>Cc1cnc(NC(=O)<mask_1:5>2cc(Br)ccc2-n2cnnn2)s1<mask_1:5> | 1 | 13 | 5 | c | 5 | Cc1cnc(NC(=O)CCCOc2cc(Br)ccc2-n2cnnn2)s1 | Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | CCCOc |
<|startoftext|><L>Cc1cnc(NC(=O)c2cc(B<mask_1:4>2-n2cnnn2)s1<mask_1:4> | 5 | 19 | 4 | r)ccc | 4 | Cc1cnc(NC(=O)c2cc(Br)cn2-n2cnnn2)s1 | Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | r)cn |
<|startoftext|><L>Cc1cnc(NC<mask_1:2>c2cc(Br)ccc2-n2cnnn2)s1<mask_1:2> | 4 | 9 | 2 | (=O) | 2 | Cc1cnc(NCCNc2cc(Br)ccc2-n2cnnn2)s1 | Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | CN |
<|startoftext|><L>Cc1cnc(NC(=O)<mask_1:4>cc(Br)ccc2-n2cnnn2)s1<mask_1:4> | 2 | 13 | 4 | c2 | 4 | Cc1cnc(NC(=O)COc2cc(Br)ccc2-n2cnnn2)s1 | Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | COc2 |
<|startoftext|><L>Cc<mask_1:2>(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1<mask_1:2> | 4 | 2 | 2 | 1cnc | 2 | Cc1c(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | 1c |
<|startoftext|><L>Cc1cnc(N<mask_1:1>c2cc(Br)ccc2-n2cnnn2)s1<mask_1:1> | 5 | 8 | 1 | C(=O) | 1 | Cc1cnc(NCc2cc(Br)ccc2-n2cnnn2)s1 | Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1 | C |
<|startoftext|><L>CC(=O)N1CCCCCCC<mask_1:4>N(S(=O)(=O)c2ccccc2C)Cc2ccccc21<mask_1:4> | 1 | 15 | 4 | C | 4 | CC(=O)N1CCCCCCC(=O)N(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | (=O) |
<|startoftext|><L>CC(=O)N1CCCCCCCCN(S(=O)(=O)<mask_1:7>c2C)Cc2ccccc21<mask_1:7> | 6 | 27 | 7 | c2cccc | 7 | CC(=O)N1CCCCCCCCN(S(=O)(=O)Cc2ccccc2C)Cc2ccccc21 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | Cc2cccc |
<|startoftext|><L>CC(=O)N1CCCCCCCCN(S(<mask_1:2>)c2ccccc2C)Cc2ccccc21<mask_1:2> | 6 | 20 | 2 | =O)(=O | 2 | CC(=O)N1CCCCCCCCN(S(=O)c2ccccc2C)Cc2ccccc21 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | =O |
<|startoftext|><L>CC(=O)N<mask_1:2>CCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21<mask_1:2> | 7 | 7 | 2 | 1CCCCCC | 2 | CC(=O)N1CCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | 1C |
<|startoftext|><L>CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc<mask_1:5>ccccc21<mask_1:5> | 6 | 34 | 5 | 2C)Cc2 | 5 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2)Cc2ccccc21 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | 2)Cc2 |
<|startoftext|><L>C<mask_1:5>CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21<mask_1:5> | 7 | 1 | 5 | C(=O)N1 | 5 | C#CCN1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | #CCN1 |
<|startoftext|><L>CC(=O)N1CCCCCCCC<mask_1:7>(=O)(=O)c2ccccc2C)Cc2ccccc21<mask_1:7> | 3 | 16 | 7 | N(S | 7 | CC(=O)N1CCCCCCCCCCCN(NS(=O)(=O)c2ccccc2C)Cc2ccccc21 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | CCCN(NS |
<|startoftext|><L>CC(=O)N1CCCCCCCCN(<mask_1:2>O)(=O)c2ccccc2C)Cc2ccccc21<mask_1:2> | 3 | 18 | 2 | S(= | 2 | CC(=O)N1CCCCCCCCN(S(O)(=O)c2ccccc2C)Cc2ccccc21 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | S( |
<|startoftext|><L>CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)<mask_1:3>cccc21<mask_1:3> | 4 | 37 | 3 | Cc2c | 3 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)c2ccccc21 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | c2c |
<|startoftext|><L>CC(=O)N1CCCCCCCCN(S(=O)(=O)c<mask_1:7>cc2C)Cc2ccccc21<mask_1:7> | 4 | 28 | 7 | 2ccc | 7 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2cc(C)ccc2C)Cc2ccccc21 | CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21 | 2cc(C)c |
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