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stringlengths 49
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| first_mask_count
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| first_start_index
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156
| first_mask_gen_count
int64 1
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stringlengths 0
16
| first_mask_gen_count_real
int64 0
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| generated_smiles
stringlengths 12
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| original_smiles
stringlengths 12
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<|startoftext|><L>Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CC<mask_1:1>2)cc1<mask_1:1> | 3 | 30 | 1 | OCC | 1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCC2)cc1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | C |
<|startoftext|><L>Cn1cc<mask_1:5>cc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1<mask_1:5> | 0 | 5 | 5 | 5 | Cn1cc(C#N)cc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | (C#N) |
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<|startoftext|><L>Cn1cccc1C(=O)Nc1ccc(C(=O<mask_1:3>NC2CCOCC2)cc1<mask_1:3> | 1 | 24 | 3 | ) | 3 | Cn1cccc1C(=O)Nc1ccc(C(=O)CCNC2CCOCC2)cc1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | )CC |
<|startoftext|><L>Cn1cccc1C(=O)Nc1ccc(C(<mask_1:3>C2CCOCC2)cc1<mask_1:3> | 4 | 22 | 3 | =O)N | 3 | Cn1cccc1C(=O)Nc1ccc(C(=O)C2CCOCC2)cc1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | =O) |
<|startoftext|><L>Cn1cccc1C(=O)Nc<mask_1:3>C(=O)NC2CCOCC2)cc1<mask_1:3> | 5 | 15 | 3 | 1ccc( | 3 | Cn1cccc1C(=O)Nc1c(C(=O)NC2CCOCC2)cc1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | 1c( |
<|startoftext|><L>Cn<mask_1:4>1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1<mask_1:4> | 5 | 2 | 4 | 1cccc | 5 | Cn1nccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | 1nccc |
<|startoftext|><L>Cn1cccc1C(=O)Nc1ccc(C<mask_1:5>=O)NC2CCOCC2)cc1<mask_1:5> | 1 | 21 | 5 | ( | 5 | Cn1cccc1C(=O)Nc1ccc(CCCNC(=O)NC2CCOCC2)cc1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | CCNC( |
<|startoftext|><L>Cn1cccc1C(=O)Nc1ccc(C(=O)N<mask_1:2>2CCOCC2)cc1<mask_1:2> | 1 | 26 | 2 | C | 2 | Cn1cccc1C(=O)Nc1ccc(C(=O)NCC2CCOCC2)cc1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | CC |
<|startoftext|><L>Cn1cccc1C(=O)Nc1ccc(C<mask_1:5>(=O)NC2CCOCC2)cc1<mask_1:5> | 0 | 21 | 5 | 5 | Cn1cccc1C(=O)Nc1ccc(CS(=O)(=O)NC2CCOCC2)cc1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | S(=O) |
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<|startoftext|><L>Cn1cccc1C(=O)Nc1ccc(C(<mask_1:3>C2CCOCC2)cc1<mask_1:3> | 4 | 22 | 3 | =O)N | 3 | Cn1cccc1C(=O)Nc1ccc(C(=O)C2CCOCC2)cc1 | Cn1cccc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 | =O) |
<|startoftext|><L>CN(C)c1ncc(CN(CC<mask_1:4>c3ccccc3F)CC2)C[C@@H]2CCCO2)s1<mask_1:4> | 6 | 16 | 4 | 2CCN(C | 4 | CN(C)c1ncc(CN(CC2(COc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | 2(CO |
<|startoftext|><L>CN(C)c1ncc(CN(CC2CCN(Cc3ccccc<mask_1:4>F)CC2)C[C@@H]2CCCO2)s1<mask_1:4> | 1 | 29 | 4 | 3 | 4 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3)C(F)CC2)C[C@@H]2CCCO2)s1 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | 3)C( |
<|startoftext|><L>CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2C<mask_1:3>O2)s1<mask_1:3> | 2 | 45 | 3 | CC | 3 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCCO2)s1 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | CCC |
<|startoftext|><L>CN(C)c1ncc(CN(C<mask_1:4>(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1<mask_1:4> | 5 | 15 | 4 | C2CCN | 4 | CN(C)c1ncc(CN(C2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | 2CCN |
<|startoftext|><L>CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)C<mask_1:4>C@@H]2CCCO2)s1<mask_1:4> | 5 | 33 | 4 | C2)C[ | 4 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)[C@@H]2CCCO2)s1 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | C2)[ |
<|startoftext|><L>CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2<mask_1:7>O2)s1<mask_1:7> | 3 | 44 | 7 | CCC | 7 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCC(=O)O2)s1 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | CCC(=O) |
<|startoftext|><L>CN(C)c1ncc(CN(CC2<mask_1:2>CN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1<mask_1:2> | 1 | 17 | 2 | C | 2 | CN(C)c1ncc(CN(CC2=CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | =C |
<|startoftext|><L>CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)<mask_1:2>H]2CCCO2)s1<mask_1:2> | 5 | 36 | 2 | C[C@@ | 2 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)[CH]2CCCO2)s1 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | [C |
<|startoftext|><L>CN(C)c1ncc(CN(CC2CCN(C<mask_1:4>ccccc3F)CC2)C[C@@H]2CCCO2)s1<mask_1:4> | 2 | 22 | 4 | c3 | 4 | CN(C)c1ncc(CN(CC2CCN(CCCc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | CCc3 |
<|startoftext|><L>CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC<mask_1:4>C[C@@H]2CCCO2)s1<mask_1:4> | 2 | 34 | 4 | 2) | 4 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)CCC[C@@H]2CCCO2)s1 | CN(C)c1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)s1 | 2)CC |
<|startoftext|><L>CS(=O)(=O)CCN1C[C@H]2CNC[C<mask_1:3>2(CO)C1<mask_1:3> | 2 | 26 | 3 | @] | 3 | CS(=O)(=O)CCN1C[C@H]2CNC[C@@]2(CO)C1 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | @@] |
<|startoftext|><L>CS(=O)(=O)CCN1C[C<mask_1:5>@H]2CNC[C@]2(CO)C1<mask_1:5> | 0 | 17 | 5 | 5 | CS(=O)(=O)CCN1C[C@H][C@H]2CNC[C@]2(CO)C1 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | @H][C |
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<|startoftext|><L>CS(=O)(=O)CCN1C[C@H]2CNC[C@]2<mask_1:3>1<mask_1:3> | 5 | 29 | 3 | (CO)C | 3 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(C)1 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | (C) |
<|startoftext|><L>CS(=O)(=O)CC<mask_1:4>1C[C@H]2CNC[C@]2(CO)C1<mask_1:4> | 1 | 12 | 4 | N | 4 | CS(=O)(=O)CCCCCN1C[C@H]2CNC[C@]2(CO)C1 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | CCCN |
<|startoftext|><L>CS(=O)(=O)CCN1C[C@<mask_1:4>CNC[C@]2(CO)C1<mask_1:4> | 3 | 18 | 4 | H]2 | 4 | CS(=O)(=O)CCN1C[C@@H]2CNC[C@]2(CO)C1 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | @H]2 |
<|startoftext|><L>CS(=O)(=O)CCN1<mask_1:4>C[C@H]2CNC[C@]2(CO)C1<mask_1:4> | 0 | 14 | 4 | 4 | CS(=O)(=O)CCN1CCCOC[C@H]2CNC[C@]2(CO)C1 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | CCCO |
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<|startoftext|><L>CS(=O)(=O)CCN1C<mask_1:2>2CNC[C@]2(CO)C1<mask_1:2> | 5 | 15 | 2 | [C@H] | 2 | CS(=O)(=O)CCN1CCC2CNC[C@]2(CO)C1 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | CC |
<|startoftext|><L>CS(=O)(=O)CCN1C[C@H]2C<mask_1:5>NC[C@]2(CO)C1<mask_1:5> | 0 | 22 | 5 | 5 | CS(=O)(=O)CCN1C[C@H]2CC(=O)NC[C@]2(CO)C1 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | C(=O) |
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<|startoftext|><L>CS<mask_1:5>(=O)CCN1C[C@H]2CNC[C@]2(CO)C1<mask_1:5> | 4 | 2 | 5 | (=O) | 5 | CSCCCNC(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | CCCNC |
<|startoftext|><L>CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(C<mask_1:2>O)C1<mask_1:2> | 0 | 31 | 2 | 2 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CCCO)C1 | CS(=O)(=O)CCN1C[C@H]2CNC[C@]2(CO)C1 | CC |
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<|startoftext|><L>O=C(N<mask_1:5>1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1<mask_1:5> | 1 | 5 | 5 | c | 5 | O=C(NCCOCc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | CCOCc |
<|startoftext|><L>O<mask_1:7>(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1<mask_1:7> | 2 | 1 | 7 | =C | 7 | O=S(=O)C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | =S(=O)C |
<|startoftext|><L>O=C(Nc1cccc(-c2cnco2)c1)<mask_1:6>C[C@@H]1CCc1ccccn1<mask_1:6> | 5 | 24 | 6 | N1CCC | 6 | O=C(Nc1cccc(-c2cnco2)c1)[C@H]1C[C@@H]1CCc1ccccn1 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | [C@H]1 |
<|startoftext|><L>O=C(Nc1cccc(-c2cnco2)c1)N1CC<mask_1:5>C[C@@H]1CCc1ccccn1<mask_1:5> | 1 | 28 | 5 | C | 5 | O=C(Nc1cccc(-c2cnco2)c1)N1CCC(=O)C[C@@H]1CCc1ccccn1 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | C(=O) |
<|startoftext|><L>O=C(<mask_1:4>c(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1<mask_1:4> | 6 | 4 | 4 | Nc1ccc | 4 | O=C(c1coc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | c1co |
<|startoftext|><L>O=C(Nc1cccc(-c2c<mask_1:7>1)N1CCCC[C@@H]1CCc1ccccn1<mask_1:7> | 6 | 16 | 7 | nco2)c | 7 | O=C(Nc1cccc(-c2ccncc2)c1)N1CCCC[C@@H]1CCc1ccccn1 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | cncc2)c |
<|startoftext|><L>O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1<mask_1:6>Cc1ccccn1<mask_1:6> | 1 | 37 | 6 | C | 6 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1C(=O)NCc1ccccn1 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | C(=O)N |
<|startoftext|><L>O=C(Nc1cccc(-c2cnco2)c1<mask_1:5>[C@@H]1CCc1ccccn1<mask_1:5> | 7 | 23 | 5 | )N1CCCC | 5 | O=C(Nc1cccc(-c2cnco2)c1)N1CC[C@@H]1CCc1ccccn1 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | )N1CC |
<|startoftext|><L>O=C(Nc1<mask_1:5>cc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1<mask_1:5> | 2 | 7 | 5 | cc | 5 | O=C(Nc1cc(F)cc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | cc(F) |
<|startoftext|><L>O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1<mask_1:6>cn1<mask_1:6> | 7 | 37 | 6 | CCc1ccc | 6 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCn1cncn1 | O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 | CCn1cn |
<|startoftext|><L>COc1cc(C(C)C)c(S(=O)(=O)N2CC<mask_1:7>(C(C)C)C(C)(C)C2)cc1C<mask_1:7> | 5 | 28 | 7 | (=O)N | 7 | COc1cc(C(C)C)c(S(=O)(=O)N2CCO[C@@H](C(C)C)C(C)(C)C2)cc1C | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | O[C@@H] |
<|startoftext|><L>COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C<mask_1:8>(C)(C)C2)cc1C<mask_1:8> | 4 | 37 | 8 | )C)C | 8 | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C[C@](C)(C)C2)cc1C | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | )C)C[C@] |
<|startoftext|><L>COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C<mask_1:4>C)C)C(C)(C)C2)cc1C<mask_1:4> | 1 | 35 | 4 | ( | 4 | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)(C)C)C(C)(C)C2)cc1C | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | (C)( |
<|startoftext|><L>COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C<mask_1:4>C)(C)C2)cc1C<mask_1:4> | 3 | 39 | 4 | )C( | 4 | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)CC(C)(C)C2)cc1C | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | )CC( |
<|startoftext|><L>COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C<mask_1:7>C(C)(C)C2)cc1C<mask_1:7> | 5 | 35 | 7 | (C)C) | 7 | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C3CCCC3)C(C)(C)C2)cc1C | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | 3CCCC3) |
<|startoftext|><L>C<mask_1:2>c1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C<mask_1:2> | 1 | 1 | 2 | O | 2 | CCOc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | CO |
<|startoftext|><L>COc1cc(C(C)C)c(S(=O)(=<mask_1:6>CC(=O)N(C(C)C)C(C)(C)C2)cc1C<mask_1:6> | 4 | 22 | 6 | O)N2 | 6 | COc1cc(C(C)C)c(S(=O)(=O)NC2=CC(=O)N(C(C)C)C(C)(C)C2)cc1C | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | O)NC2= |
<|startoftext|><L><mask_1:4>(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C<mask_1:4> | 6 | 0 | 4 | COc1cc | 4 | Cn1c(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | Cn1c |
<|startoftext|><L>COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(<mask_1:7>C)C2)cc1C<mask_1:7> | 3 | 42 | 7 | C)( | 7 | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C(C)C2)cc1C | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | C)(C)C( |
<|startoftext|><L>COc1cc(C(C)C)c(S(=O)(=O)N2<mask_1:4>=O)N(C(C)C)C(C)(C)C2)cc1C<mask_1:4> | 3 | 26 | 4 | CC( | 4 | COc1cc(C(C)C)c(S(=O)(=O)N2CCC(=O)N(C(C)C)C(C)(C)C2)cc1C | COc1cc(C(C)C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1C | CCC( |
<|startoftext|><L>Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2<mask_1:7>C(=O)O)c1<mask_1:7> | 0 | 40 | 7 | 7 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2CC(=O)NC(=O)O)c1 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | CC(=O)N |
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<|startoftext|><L>Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C<mask_1:2>2C(=O)O)c1<mask_1:2> | 4 | 35 | 2 | @@H] | 2 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[CH]2C(=O)O)c1 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | H] |
<|startoftext|><L>Cc1cc<mask_1:6>H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1<mask_1:6> | 7 | 5 | 6 | cc([C@@ | 6 | Cc1cccc([C@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | cc([C@ |
<|startoftext|><L>Cc1cccc([C@@H]2C[C@H]2C(=O)N<mask_1:3>C[C@@H]2C(=O)O)c1<mask_1:3> | 4 | 28 | 3 | 2CCC | 3 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2C(=O)O)c1 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | 2CC |
<|startoftext|><L>Cc1cccc([C@@H]2C[<mask_1:7>]2C(=O)N2CCCC[C@@H]2C(=O)O)c1<mask_1:7> | 3 | 17 | 7 | C@H | 7 | Cc1cccc([C@@H]2C[C@H][C@]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | C@H][C@ |
<|startoftext|><L>Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)<mask_1:7>1<mask_1:7> | 3 | 45 | 7 | O)c | 7 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)N(C)C)c1 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | N(C)C)c |
<|startoftext|><L>Cc1cccc([C@@H]2C[<mask_1:7>(=O)N2CCCC[C@@H]2C(=O)O)c1<mask_1:7> | 6 | 17 | 7 | C@H]2C | 7 | Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | C@@H]2C |
<|startoftext|><L>Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC<mask_1:7>C@@H]2C(=O)O)c1<mask_1:7> | 3 | 31 | 7 | CC[ | 7 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCNC(=O)[C@@H]2C(=O)O)c1 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | NC(=O)[ |
<|startoftext|><L>Cc1cccc([C@@<mask_1:7>@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1<mask_1:7> | 6 | 12 | 7 | H]2C[C | 7 | Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | H]2C[C@ |
<|startoftext|><L>Cc1cccc([C@@H]2C[C@H]2C(<mask_1:5>CCC[C@@H]2C(=O)O)c1<mask_1:5> | 6 | 24 | 5 | =O)N2C | 5 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2C(=O)O)c1 | Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 | =O)N2 |
<|startoftext|><L>CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1<mask_1:3>)[O-]<mask_1:3> | 7 | 40 | 3 | [N+](=O | 3 | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1C(N)[O-] | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | C(N |
<|startoftext|><L>CCc1[nH]nc(C(=O)N[C@H]2<mask_1:5>nc[nH]c3C2)c1[N+](=O)[O-]<mask_1:5> | 4 | 23 | 5 | CCc3 | 5 | CCc1[nH]nc(C(=O)N[C@H]2CCCc3nc[nH]c3C2)c1[N+](=O)[O-] | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | CCCc3 |
<|startoftext|><L>CCc1[nH]nc(<mask_1:7>N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-]<mask_1:7> | 5 | 11 | 7 | C(=O) | 7 | CCc1[nH]nc(NC(=O)CN[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | NC(=O)C |
<|startoftext|><L>CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c<mask_1:7>[N+](=O)[O-]<mask_1:7> | 6 | 34 | 7 | 3C2)c1 | 7 | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1C[N+](=O)[O-] | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | 3C2)c1C |
<|startoftext|><L>CC<mask_1:7>H]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-]<mask_1:7> | 4 | 2 | 7 | c1[n | 7 | CC(C)c1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | (C)c1[n |
<|startoftext|><L>CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2<mask_1:5>N+](=O)[O-]<mask_1:5> | 4 | 37 | 5 | )c1[ | 5 | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1C[N+](=O)[O-] | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | )c1C[ |
<|startoftext|><L>CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O<mask_1:3>]<mask_1:3> | 4 | 47 | 3 | )[O- | 3 | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O] | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | )[O |
<|startoftext|><L>CCc1[nH]n<mask_1:3>C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-]<mask_1:3> | 2 | 9 | 3 | c( | 3 | CCc1[nH]nc(CC(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | c(C |
<|startoftext|><L>CCc1[nH]nc(C(=O)<mask_1:4>CCc3nc[nH]c3C2)c1[N+](=O)[O-]<mask_1:4> | 7 | 16 | 4 | N[C@H]2 | 4 | CCc1[nH]nc(C(=O)N2CCCCc3nc[nH]c3C2)c1[N+](=O)[O-] | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | N2CC |
<|startoftext|><L>CCc1[nH]nc(C(<mask_1:4>N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-]<mask_1:4> | 3 | 13 | 4 | =O) | 4 | CCc1[nH]nc(C(=O)NN[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] | =O)N |
<|startoftext|><L>O=C(N1C<mask_1:2>ccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1<mask_1:2> | 3 | 7 | 2 | c2c | 2 | O=C(N1Cn2ccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | n2 |
<|startoftext|><L>O=C(N1C<mask_1:4>2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1<mask_1:4> | 1 | 7 | 4 | c | 4 | O=C(N1CCCOc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | CCOc |
<|startoftext|><L>O=C(N1Cc2cccnc2C1)C1(Cc2ccc(O<mask_1:2>F)F)cc2)CC1<mask_1:2> | 5 | 29 | 2 | C(F)( | 2 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)F)cc2)CC1 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | C( |
<|startoftext|><L>O=C(N1Cc2ccc<mask_1:2>C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1<mask_1:2> | 3 | 12 | 2 | nc2 | 2 | O=C(N1Cc2cccn2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | n2 |
<|startoftext|><L>O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)<mask_1:5>F)cc2)CC1<mask_1:5> | 3 | 33 | 5 | (F) | 5 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)OCF)cc2)CC1 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | (F)OC |
<|startoftext|><L>O=C(N1Cc2cccnc2C1)C<mask_1:6>(Cc2ccc(OC(F)(F)F)cc2)CC1<mask_1:6> | 1 | 19 | 6 | 1 | 6 | O=C(N1Cc2cccnc2C1)C1(O)CN(Cc2ccc(OC(F)(F)F)cc2)CC1 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | 1(O)CN |
<|startoftext|><L>O=C(N1Cc2cccnc2C1)C1(Cc2<mask_1:5>cc(OC(F)(F)F)cc2)CC1<mask_1:5> | 1 | 24 | 5 | c | 5 | O=C(N1Cc2cccnc2C1)C1(Cc2c(Cl)cc(OC(F)(F)F)cc2)CC1 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | c(Cl) |
<|startoftext|><L>O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)<mask_1:3>1<mask_1:3> | 2 | 42 | 3 | CC | 3 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CCC1 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | CCC |
<|startoftext|><L>O=C(N1Cc2cccnc2C1)C1(Cc2c<mask_1:1>OC(F)(F)F)cc2)CC1<mask_1:1> | 3 | 25 | 1 | cc( | 1 | O=C(N1Cc2cccnc2C1)C1(Cc2c(OC(F)(F)F)cc2)CC1 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | ( |
<|startoftext|><L>O=C(N1Cc2cccnc2C1)C<mask_1:3>(Cc2ccc(OC(F)(F)F)cc2)CC1<mask_1:3> | 1 | 19 | 3 | 1 | 3 | O=C(N1Cc2cccnc2C1)C1CC(Cc2ccc(OC(F)(F)F)cc2)CC1 | O=C(N1Cc2cccnc2C1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 | 1CC |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cc<mask_1:5>)no2)cc1F<mask_1:5> | 3 | 32 | 5 | cs3 | 5 | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1F | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | ccc3C |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(C)Cc2nc<mask_1:2>-c3cccs3)no2)cc1F<mask_1:2> | 1 | 26 | 2 | ( | 2 | COc1ccc(S(=O)(=O)N(C)Cc2nc(C-c3cccs3)no2)cc1F | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | (C |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(C)Cc2nc(-<mask_1:6>ccs3)no2)cc1F<mask_1:6> | 3 | 28 | 6 | c3c | 6 | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3c(C)ccs3)no2)cc1F | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | c3c(C) |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(C)<mask_1:4>(-c3cccs3)no2)cc1F<mask_1:4> | 5 | 21 | 4 | Cc2nc | 4 | COc1ccc(S(=O)(=O)N(C)c2nc(-c3cccs3)no2)cc1F | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | c2nc |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(<mask_1:4>Cc2nc(-c3cccs3)no2)cc1F<mask_1:4> | 2 | 19 | 4 | C) | 4 | COc1ccc(S(=O)(=O)N(C)CCCc2nc(-c3cccs3)no2)cc1F | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | C)CC |
<|startoftext|><L>CO<mask_1:6>(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F<mask_1:6> | 5 | 2 | 6 | c1ccc | 6 | COCc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | Cc1ccc |
<|startoftext|><L>COc1ccc(S(=O)(=<mask_1:4>Cc2nc(-c3cccs3)no2)cc1F<mask_1:4> | 6 | 15 | 4 | O)N(C) | 4 | COc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)no2)cc1F | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | O)NC |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(C)Cc2nc(<mask_1:2>c3cccs3)no2)cc1F<mask_1:2> | 1 | 27 | 2 | - | 2 | COc1ccc(S(=O)(=O)N(C)Cc2nc(CCc3cccs3)no2)cc1F | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | CC |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3c<mask_1:3>no2)cc1F<mask_1:3> | 5 | 31 | 3 | ccs3) | 3 | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cs3)no2)cc1F | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | s3) |
<|startoftext|><L>COc1ccc(S(=O)(=O)N(C<mask_1:3>Cc2nc(-c3cccs3)no2)cc1F<mask_1:3> | 1 | 20 | 3 | ) | 3 | COc1ccc(S(=O)(=O)N(CCO)Cc2nc(-c3cccs3)no2)cc1F | COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1F | CO) |
<|startoftext|><L>N<mask_1:2>Cc1cc(F)cc(Br)c1N<mask_1:2> | 1 | 1 | 2 | # | 2 | N#CCc1cc(F)cc(Br)c1N | N#Cc1cc(F)cc(Br)c1N | #C |
<|startoftext|><L><mask_1:1>Cc1cc(F)cc(Br)c1N<mask_1:1> | 2 | 0 | 1 | N# | 1 | CCc1cc(F)cc(Br)c1N | N#Cc1cc(F)cc(Br)c1N | C |
<|startoftext|><L>N#C<mask_1:2>1cc(F)cc(Br)c1N<mask_1:2> | 1 | 3 | 2 | c | 2 | N#CCc1cc(F)cc(Br)c1N | N#Cc1cc(F)cc(Br)c1N | Cc |
<|startoftext|><L>N#Cc1cc(F)<mask_1:2>cc(Br)c1N<mask_1:2> | 0 | 10 | 2 | 2 | N#Cc1cc(F)cccc(Br)c1N | N#Cc1cc(F)cc(Br)c1N | cc |
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<|startoftext|><L>N#<mask_1:2>c1cc(F)cc(Br)c1N<mask_1:2> | 1 | 2 | 2 | C | 2 | N#CCc1cc(F)cc(Br)c1N | N#Cc1cc(F)cc(Br)c1N | CC |
<|startoftext|><L>N#Cc1cc(F)cc(<mask_1:1>)c1N<mask_1:1> | 2 | 13 | 1 | Br | 1 | N#Cc1cc(F)cc(I)c1N | N#Cc1cc(F)cc(Br)c1N | I |
<|startoftext|><L>N#Cc1cc(F)cc(Br)c<mask_1:2>N<mask_1:2> | 1 | 17 | 2 | 1 | 2 | N#Cc1cc(F)cc(Br)c1CN | N#Cc1cc(F)cc(Br)c1N | 1C |
<|startoftext|><L>N<mask_1:1>#Cc1cc(F)cc(Br)c1N<mask_1:1> | 0 | 1 | 1 | 1 | NC#Cc1cc(F)cc(Br)c1N | N#Cc1cc(F)cc(Br)c1N | C |
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<|startoftext|><L>N<mask_1:1>#Cc1cc(F)cc(Br)c1N<mask_1:1> | 0 | 1 | 1 | 1 | NC#Cc1cc(F)cc(Br)c1N | N#Cc1cc(F)cc(Br)c1N | C |
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<|startoftext|><L>N#Cc1cc(F)cc(B<mask_1:1>c1N<mask_1:1> | 2 | 14 | 1 | r) | 1 | N#Cc1cc(F)cc(B)c1N | N#Cc1cc(F)cc(Br)c1N | ) |