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stringlengths 49
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| first_mask_count
int64 0
16
| first_start_index
int64 0
198
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
29
| generated_smiles
stringlengths 12
233
| original_smiles
stringlengths 12
223
| generated_tokens
stringlengths 0
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>C[C@@H]<mask_1:5>1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2<mask_1:5> | 0 | 7 | 5 | 5 | C[C@@H](O)CN1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | (O)CN |
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<|startoftext|><L>C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2<mask_1:3>@H]1O2<mask_1:3> | 4 | 34 | 3 | CC[C | 3 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2C[C@H]1O2 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | C[C |
<|startoftext|><L>C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[<mask_1:5>]1O2<mask_1:5> | 3 | 37 | 5 | C@H | 4 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1O2 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | C@@H |
<|startoftext|><L>C[C@@H]1CCCC[C@@H]<mask_1:4>[C@@H]1C[C@H]2CC[C@H]1O2<mask_1:4> | 2 | 18 | 4 | 1N | 4 | C[C@@H]1CCCC[C@@H]1CCN[C@@H]1C[C@H]2CC[C@H]1O2 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | 1CCN |
<|startoftext|><L>C[C@@H]1CCCC[C@@H]1N[C@@H]1C[<mask_1:5>C[C@H]1O2<mask_1:5> | 6 | 29 | 5 | C@H]2C | 5 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2C[C@H]1O2 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | C@H]2 |
<|startoftext|><L>C[C@@H]1CCCC[C@@H]1<mask_1:2>@H]1C[C@H]2CC[C@H]1O2<mask_1:2> | 4 | 19 | 2 | N[C@ | 2 | C[C@@H]1CCCC[C@@H]1[C@H]1C[C@H]2CC[C@H]1O2 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | [C |
<|startoftext|><L>C[C@<mask_1:3>CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2<mask_1:3> | 4 | 4 | 3 | @H]1 | 3 | C[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | H]1 |
<|startoftext|><L>C[<mask_1:3>CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2<mask_1:3> | 6 | 2 | 3 | C@@H]1 | 3 | C[C]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | C]1 |
<|startoftext|><L>C[C@@H]1<mask_1:6>[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2<mask_1:6> | 4 | 8 | 6 | CCCC | 6 | C[C@@H]1OC(=O)[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | OC(=O) |
<|startoftext|><L>C[C@@H]<mask_1:3>[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2<mask_1:3> | 5 | 7 | 3 | 1CCCC | 3 | C[C@@H]1CS[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@H]1O2 | 1CS |
<|startoftext|><L>Cn1n<mask_1:5>C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1<mask_1:5> | 4 | 4 | 5 | ccc1 | 5 | Cn1nnnc1CC1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | nnc1C |
<|startoftext|><L>Cn1nccc1C1CCN(Cc<mask_1:2>c(C(=O)O)cc2Br)CC1<mask_1:2> | 3 | 16 | 2 | 2cc | 2 | Cn1nccc1C1CCN(Cc2sc(C(=O)O)cc2Br)CC1 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | 2s |
<|startoftext|><L>Cn1nccc1C1CCN(C<mask_1:3>c2ccc(C(=O)O)cc2Br)CC1<mask_1:3> | 0 | 15 | 3 | 3 | Cn1nccc1C1CCN(CCCOc2ccc(C(=O)O)cc2Br)CC1 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | CCO |
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<|startoftext|><L>Cn1nccc1C1CCN(Cc2ccc<mask_1:4>C(=O)O)cc2Br)CC1<mask_1:4> | 1 | 20 | 4 | ( | 4 | Cn1nccc1C1CCN(Cc2ccc(OCCC(=O)O)cc2Br)CC1 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | (OCC |
<|startoftext|><L>Cn1nc<mask_1:4>C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1<mask_1:4> | 3 | 5 | 4 | cc1 | 4 | Cn1nccc1CC1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | cc1C |
<|startoftext|><L>Cn1nccc1C1CCN(Cc2ccc(C(=O)O)c<mask_1:5>)CC1<mask_1:5> | 4 | 29 | 5 | c2Br | 5 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)c(F)c2)CC1 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | (F)c2 |
<|startoftext|><L>Cn1nccc1C1CC<mask_1:4>N(Cc2ccc(C(=O)O)cc2Br)CC1<mask_1:4> | 0 | 12 | 4 | 4 | Cn1nccc1C1CC(=O)N(Cc2ccc(C(=O)O)cc2Br)CC1 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | (=O) |
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<|startoftext|><L>Cn1nccc1C1CCN(Cc<mask_1:5>c(C(=O)O)cc2Br)CC1<mask_1:5> | 3 | 16 | 5 | 2cc | 5 | Cn1nccc1C1CCN(Cc2[nH]c(C(=O)O)cc2Br)CC1 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | 2[nH] |
<|startoftext|><L>Cn1nccc1<mask_1:5>N(Cc2ccc(C(=O)O)cc2Br)CC1<mask_1:5> | 4 | 8 | 5 | C1CC | 5 | Cn1nccc1CN1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | CN1CC |
<|startoftext|><L>Cn1<mask_1:4>ccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1<mask_1:4> | 1 | 3 | 4 | n | 4 | Cn1c(O)ccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | Cn1nccc1C1CCN(Cc2ccc(C(=O)O)cc2Br)CC1 | c(O) |
<|startoftext|><L>COc1ccc(CN2C[C@H](C(=O)NC3CC<mask_1:1>3)CC2=O)cc1<mask_1:1> | 0 | 28 | 1 | 1 | COc1ccc(CN2C[C@H](C(=O)NC3CCC3)CC2=O)cc1 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | C |
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<|startoftext|><L>COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC<mask_1:3>2=O)cc1<mask_1:3> | 0 | 32 | 3 | 3 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CCCCC2=O)cc1 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | CCC |
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<|startoftext|><L>COc1ccc(CN2C[<mask_1:2>](C(=O)NC3CC3)CC2=O)cc1<mask_1:2> | 3 | 13 | 2 | C@H | 2 | COc1ccc(CN2C[C@](C(=O)NC3CC3)CC2=O)cc1 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | C@ |
<|startoftext|><L>COc1ccc(CN2C[<mask_1:4>C(=O)NC3CC3)CC2=O)cc1<mask_1:4> | 5 | 13 | 4 | C@H]( | 4 | COc1ccc(CN2C[C@](C(=O)NC3CC3)CC2=O)cc1 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | C@]( |
<|startoftext|><L>COc1ccc(CN2C[C@H](C(=O)N<mask_1:2>)CC2=O)cc1<mask_1:2> | 5 | 24 | 2 | C3CC3 | 2 | COc1ccc(CN2C[C@H](C(=O)NOC)CC2=O)cc1 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | OC |
<|startoftext|><L>COc1ccc(CN2C[C@H]<mask_1:4>(=O)NC3CC3)CC2=O)cc1<mask_1:4> | 2 | 17 | 4 | (C | 4 | COc1ccc(CN2C[C@H](NCC(=O)NC3CC3)CC2=O)cc1 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | (NCC |
<|startoftext|><L>COc1<mask_1:5>CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1<mask_1:5> | 4 | 4 | 5 | ccc( | 5 | COc1ccc(CCN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | ccc(C |
<|startoftext|><L>COc1ccc<mask_1:4>CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1<mask_1:4> | 1 | 7 | 4 | ( | 4 | COc1ccc(OCCCN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | (OCC |
<|startoftext|><L>COc1ccc(CN2C[C<mask_1:4>(=O)NC3CC3)CC2=O)cc1<mask_1:4> | 5 | 14 | 4 | @H](C | 4 | COc1ccc(CN2C[CH](C(=O)NC3CC3)CC2=O)cc1 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | H](C |
<|startoftext|><L>COc1ccc(CN2C[C@H](C<mask_1:5>NC3CC3)CC2=O)cc1<mask_1:5> | 4 | 19 | 5 | (=O) | 5 | COc1ccc(CN2C[C@H](CC(=O)NC3CC3)CC2=O)cc1 | COc1ccc(CN2C[C@H](C(=O)NC3CC3)CC2=O)cc1 | C(=O) |
<|startoftext|><L>COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O<mask_1:6>)N(C(=O)C2CC2)C3)c(C)c1<mask_1:6> | 0 | 38 | 6 | 6 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)CC(=O)N(C(=O)C2CC2)C3)c(C)c1 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | )CC(=O |
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<|startoftext|><L>COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O<mask_1:9>)N(C(=O)C2CC2)C3)c(C)c1<mask_1:9> | 2 | 36 | 9 | )O | 9 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)N2CCOCC2)N(C(=O)C2CC2)C3)c(C)c1 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | )N2CCOCC2 |
<|startoftext|><L>COc1ccc(C(=O)N2CCC3(CC2)C[C@@H<mask_1:2>O)N(C(=O)C2CC2)C3)c(C)c1<mask_1:2> | 7 | 30 | 2 | ](C(=O) | 2 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](O)N(C(=O)C2CC2)C3)c(C)c1 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | ]( |
<|startoftext|><L>COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C<mask_1:7>)C3)c(C)c1<mask_1:7> | 4 | 47 | 7 | 2CC2 | 7 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CCOCC2)C3)c(C)c1 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | 2CCOCC2 |
<|startoftext|><L>COc1<mask_1:9>)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1<mask_1:9> | 8 | 4 | 9 | ccc(C(=O | 9 | COc1ccc(CC(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | ccc(CC(=O |
<|startoftext|><L>COc1ccc(C(=O)N2CCC3(CC2)<mask_1:5>[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1<mask_1:5> | 1 | 24 | 5 | C | 5 | COc1ccc(C(=O)N2CCC3(CC2)C(=O)[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | C(=O) |
<|startoftext|><L>COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C<mask_1:8>)c(C)c1<mask_1:8> | 7 | 47 | 8 | 2CC2)C3 | 7 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | 2CC2)C3 |
<|startoftext|><L>CO<mask_1:7>ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1<mask_1:7> | 2 | 2 | 7 | c1 | 7 | COC(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | C(=O)c1 |
<|startoftext|><L>COc1ccc(C(=O)N2CCC3(CC2)C[C@<mask_1:7>=O)O)N(C(=O)C2CC2)C3)c(C)c1<mask_1:7> | 6 | 28 | 7 | @H](C( | 7 | COc1ccc(C(=O)N2CCC3(CC2)C[C@H](CCC(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | H](CCC( |
<|startoftext|><L>COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C<mask_1:2>(C)c1<mask_1:2> | 3 | 53 | 2 | 3)c | 2 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)(C)c1 | COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c(C)c1 | 3) |
<|startoftext|><L>O<mask_1:7>cccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1<mask_1:7> | 6 | 1 | 7 | =C1c2c | 7 | O=C1Cc2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | =C1Cc2c |
<|startoftext|><L>O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@<mask_1:4>(O)COc2cccc3ccccc23)n1<mask_1:4> | 2 | 32 | 4 | H] | 4 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@](O)(O)COc2cccc3ccccc23)n1 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | ](O) |
<|startoftext|><L>O=C1c<mask_1:5>2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1<mask_1:5> | 6 | 5 | 5 | 2ccccc | 6 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | 2ccccc |
<|startoftext|><L>O=C1c2cccc<mask_1:8>C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1<mask_1:8> | 2 | 10 | 8 | c2 | 8 | O=C1c2ccccc2C(=O)NC(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | c2C(=O)N |
<|startoftext|><L>O=<mask_1:5>ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1<mask_1:5> | 4 | 2 | 5 | C1c2 | 5 | O=C1Nc2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | C1Nc2 |
<|startoftext|><L>O=C1c2ccccc2C(=O)N<mask_1:6>(C[C@@H](O)COc2cccc3ccccc23)n1<mask_1:6> | 8 | 18 | 6 | 1CCc1nnn | 6 | O=C1c2ccccc2C(=O)N1c1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | 1c1nnn |
<|startoftext|><L>O=C1c<mask_1:8>2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1<mask_1:8> | 0 | 5 | 8 | 8 | O=C1c2ccccc2c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | 2ccccc2c |
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<|startoftext|><L>O=C1c2ccccc2C(=O)N1CCc1nnn(C<mask_1:5>O)COc2cccc3ccccc23)n1<mask_1:5> | 7 | 28 | 5 | [C@@H]( | 5 | O=C1c2ccccc2C(=O)N1CCc1nnn(CCNC(=O)COc2cccc3ccccc23)n1 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | CNC(= |
<|startoftext|><L>O=<mask_1:7>C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1<mask_1:7> | 0 | 2 | 7 | 7 | O=C(O)C=CC1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | C(O)C=C |
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<|startoftext|><L>O=C1c2ccccc<mask_1:6>=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1<mask_1:6> | 3 | 11 | 6 | 2C( | 6 | O=C1c2ccccc2CCCC(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 | 2CCCC( |
<|startoftext|><L>CCOc1ccc(<mask_1:1>-c2nsc(NC(=O)c3cccs3)n2)cc1<mask_1:1> | 0 | 9 | 1 | 1 | CCOc1ccc(C-c2nsc(NC(=O)c3cccs3)n2)cc1 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | C |
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<|startoftext|><L>CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)c<mask_1:4>c1<mask_1:4> | 0 | 34 | 4 | 4 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)c(OC)c1 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | (OC) |
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<|startoftext|><L><mask_1:2>1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1<mask_1:2> | 4 | 0 | 2 | CCOc | 2 | Cc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | Cc |
<|startoftext|><L>CCOc1ccc(-c2nsc(NC(=<mask_1:5>cccs3)n2)cc1<mask_1:5> | 4 | 20 | 5 | O)c3 | 5 | CCOc1ccc(-c2nsc(NC(=O)Cc3cccs3)n2)cc1 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | O)Cc3 |
<|startoftext|><L>CCOc1ccc(-c2n<mask_1:4>NC(=O)c3cccs3)n2)cc1<mask_1:4> | 3 | 13 | 4 | sc( | 4 | CCOc1ccc(-c2noc(CNC(=O)c3cccs3)n2)cc1 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | oc(C |
<|startoftext|><L>CCOc1cc<mask_1:5>c(-c2nsc(NC(=O)c3cccs3)n2)cc1<mask_1:5> | 0 | 7 | 5 | 5 | CCOc1cc(OCC)c(-c2nsc(NC(=O)c3cccs3)n2)cc1 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | (OCC) |
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<|startoftext|><L>CCOc1ccc(-c2nsc(N<mask_1:2>)c3cccs3)n2)cc1<mask_1:2> | 4 | 17 | 2 | C(=O | 2 | CCOc1ccc(-c2nsc(N(C)c3cccs3)n2)cc1 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | (C |
<|startoftext|><L>CCOc1ccc(-c2nsc(NC(=<mask_1:5>O)c3cccs3)n2)cc1<mask_1:5> | 0 | 20 | 5 | 5 | CCOc1ccc(-c2nsc(NC(=O)C(=O)c3cccs3)n2)cc1 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | O)C(= |
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<|startoftext|><L>CCOc1ccc(-c2nsc<mask_1:5>C(=O)c3cccs3)n2)cc1<mask_1:5> | 2 | 15 | 5 | (N | 5 | CCOc1ccc(-c2nsc(SCCNC(=O)c3cccs3)n2)cc1 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | (SCCN |
<|startoftext|><L>CCO<mask_1:4>cc(-c2nsc(NC(=O)c3cccs3)n2)cc1<mask_1:4> | 3 | 3 | 4 | c1c | 4 | CCOCc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | CCOc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 | Cc1c |
<|startoftext|><L>CN1CC2(CCN(S(=O)(=O)c3cc<mask_1:5>c(O)c3)CC2)OC1=O<mask_1:5> | 1 | 24 | 5 | n | 5 | CN1CC2(CCN(S(=O)(=O)c3ccc(Cl)c(O)c3)CC2)OC1=O | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | c(Cl) |
<|startoftext|><L>CN1CC2(CCN(S(=O)(=O)<mask_1:4>(O)c3)CC2)OC1=O<mask_1:4> | 6 | 20 | 4 | c3ccnc | 4 | CN1CC2(CCN(S(=O)(=O)C3CC(O)c3)CC2)OC1=O | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | C3CC |
<|startoftext|><L>CN1CC2(CCN<mask_1:3>(=O)(=O)c3ccnc(O)c3)CC2)OC1=O<mask_1:3> | 2 | 10 | 3 | (S | 3 | CN1CC2(CCN(NS(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | (NS |
<|startoftext|><L>CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)C<mask_1:6>)OC1=O<mask_1:6> | 2 | 33 | 6 | C2 | 6 | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)C(C)OC1=O | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | C2)C(C |
<|startoftext|><L>CN1CC2(CCN(S(=O)(=O)c3c<mask_1:6>)c3)CC2)OC1=O<mask_1:6> | 5 | 23 | 6 | cnc(O | 6 | CN1CC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)OC1=O | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | ccc(Cl |
<|startoftext|><L>CN1CC2(CCN(S(=O)(=O)c3c<mask_1:2>c3)CC2)OC1=O<mask_1:2> | 6 | 23 | 2 | cnc(O) | 2 | CN1CC2(CCN(S(=O)(=O)c3ccoc3)CC2)OC1=O | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | co |
<|startoftext|><L>CN1CC2(CCN(S(=O)(=O<mask_1:6>nc(O)c3)CC2)OC1=O<mask_1:6> | 5 | 19 | 6 | )c3cc | 6 | CN1CC2(CCN(S(=O)(=O)Cc3ccnc(O)c3)CC2)OC1=O | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | )Cc3cc |
<|startoftext|><L>CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)<mask_1:1>2)OC1=O<mask_1:1> | 2 | 32 | 1 | CC | 1 | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)C2)OC1=O | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | C |
<|startoftext|><L>CN1CC2(CCN(<mask_1:4>(=O)(=O)c3ccnc(O)c3)CC2)OC1=O<mask_1:4> | 1 | 11 | 4 | S | 4 | CN1CC2(CCN(CCCS(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | CCCS |
<|startoftext|><L>CN1CC2<mask_1:5>N(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O<mask_1:5> | 3 | 6 | 5 | (CC | 4 | CN1CC2(CCCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | CN1CC2(CCN(S(=O)(=O)c3ccnc(O)c3)CC2)OC1=O | (CCC |
<|startoftext|><L>O=C1NC(=O)N(c2ccc3c(c2)<mask_1:3>=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1<mask_1:3> | 7 | 23 | 3 | OCO3)C( | 3 | O=C1NC(=O)N(c2ccc3c(c2)OC3=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | OC3 |
<|startoftext|><L>O=C1NC(=O)N<mask_1:3>3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1<mask_1:3> | 6 | 11 | 3 | (c2ccc | 3 | O=C1NC(=O)N(c23c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | (c2 |
<|startoftext|><L>O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2C<mask_1:5>C2)o1<mask_1:5> | 3 | 52 | 5 | COC | 5 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCN(C)C2)o1 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | CN(C) |
<|startoftext|><L><mask_1:4>=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1<mask_1:4> | 1 | 0 | 4 | O | 4 | CCCC=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | CCCC |
<|startoftext|><L>O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/<mask_1:6>Br)c(N2CCOCC2)o1<mask_1:6> | 5 | 39 | 6 | c1cc( | 6 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/Nc1cc(Br)c(N2CCOCC2)o1 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | Nc1cc( |
<|startoftext|><L>O=C1NC(=O)N(c2ccc3c(c2)OCO3)<mask_1:7>C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1<mask_1:7> | 0 | 28 | 7 | 7 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/CC(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | C(=O)/C |
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<|startoftext|><L>O<mask_1:9>)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1<mask_1:9> | 8 | 1 | 9 | =C1NC(=O | 8 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | =C1NC(=O |
<|startoftext|><L>O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc<mask_1:3>N2CCOCC2)o1<mask_1:3> | 6 | 43 | 3 | (Br)c( | 3 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(CN2CCOCC2)o1 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | c(C |
<|startoftext|><L>O=C1NC(=O)N(c2ccc3c(c2)<mask_1:1>3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1<mask_1:1> | 3 | 23 | 1 | OCO | 3 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | OCO |
<|startoftext|><L>O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1c<mask_1:9>Br)c(N2CCOCC2)o1<mask_1:9> | 2 | 42 | 9 | c( | 9 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(C(=O)OCBr)c(N2CCOCC2)o1 | O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 | c(C(=O)OC |
<|startoftext|><L>C#<mask_1:5>CCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1<mask_1:5> | 1 | 2 | 5 | C | 5 | C#CCCCCCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | CCCCC |
<|startoftext|><L>C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]3<mask_1:3>N=N1<mask_1:3> | 2 | 35 | 3 | 2) | 3 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]3C2)N=N1 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | C2) |
<|startoftext|><L>C#CCCC1(CCC(=O)N2C<mask_1:5>@H]3CCC[C@@H]32)N=N1<mask_1:5> | 3 | 18 | 5 | C[C | 5 | C#CCCC1(CCC(=O)N2CCC[C@@H]3CCC[C@@H]32)N=N1 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | CC[C@ |
<|startoftext|><L>C#CCCC1(CCC(=O)N2CC[C@H]3<mask_1:2>CCC[C@@H]32)N=N1<mask_1:2> | 0 | 25 | 2 | 2 | C#CCCC1(CCC(=O)N2CC[C@H]3OCCCC[C@@H]32)N=N1 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | OC |
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<|startoftext|><L>C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@<mask_1:4>N=N1<mask_1:4> | 6 | 31 | 4 | @H]32) | 5 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@H]32)N=N1 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | H]32) |
<|startoftext|><L>C#CCCC1(CCC(<mask_1:5>2CC[C@H]3CCC[C@@H]32)N=N1<mask_1:5> | 4 | 12 | 5 | =O)N | 5 | C#CCCC1(CCC(=O)NC2CC[C@H]3CCC[C@@H]32)N=N1 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | =O)NC |
<|startoftext|><L>C#CCCC<mask_1:4>=O)N2CC[C@H]3CCC[C@@H]32)N=N1<mask_1:4> | 6 | 6 | 4 | 1(CCC( | 4 | C#CCCC1(C(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | 1(C( |
<|startoftext|><L>C#CCCC1(CCC(<mask_1:6>CC[C@H]3CCC[C@@H]32)N=N1<mask_1:6> | 5 | 12 | 6 | =O)N2 | 6 | C#CCCC1(CCC(=O)N2CCC[C@H]3CCC[C@@H]32)N=N1 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | =O)N2C |
<|startoftext|><L>C#CCCC1(CCC(=O)N<mask_1:6>C@H]3CCC[C@@H]32)N=N1<mask_1:6> | 4 | 16 | 6 | 2CC[ | 6 | C#CCCC1(CCC(=O)N2CCCO[C@H]3CCC[C@@H]32)N=N1 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | 2CCCO[ |
<|startoftext|><L>C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]3<mask_1:4>)N=N1<mask_1:4> | 1 | 35 | 4 | 2 | 4 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]3C2=O)N=N1 | C#CCCC1(CCC(=O)N2CC[C@H]3CCC[C@@H]32)N=N1 | C2=O |
<|startoftext|><L>O=<mask_1:8>CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1<mask_1:8> | 2 | 2 | 8 | C( | 8 | O=C(/C=C/CCCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | C(/C=C/C |
<|startoftext|><L>O=C(CCC(=O)c1ccc(Cl)cc1)O<mask_1:7>c1ccc(S(=O)(=O)N2CCCCC2)cc1<mask_1:7> | 6 | 25 | 7 | CC(=O) | 7 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | CC(=O)N |
<|startoftext|><L>O=C(CCC(=O)c1ccc(C<mask_1:1>l)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1<mask_1:1> | 0 | 18 | 1 | 1 | O=C(CCC(=O)c1ccc(CCl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | C |
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<|startoftext|><L>O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)<mask_1:4>CC2)cc1<mask_1:4> | 5 | 46 | 4 | N2CCC | 4 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | N2CC |
<|startoftext|><L>O=<mask_1:8>O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1<mask_1:8> | 7 | 2 | 8 | C(CCC(= | 8 | O=C(CCNC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | C(CCNC(= |
<|startoftext|><L>O=C(CCC<mask_1:4>c(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1<mask_1:4> | 8 | 7 | 4 | (=O)c1cc | 4 | O=C(CCCc1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | c1cc |
<|startoftext|><L>O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)<mask_1:7>CC2)cc1<mask_1:7> | 5 | 46 | 7 | N2CCC | 7 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCCCC2)cc1 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | N2CCCCC |
<|startoftext|><L>O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(<mask_1:5>O)(=O)N2CCCCC2)cc1<mask_1:5> | 3 | 37 | 5 | S(= | 5 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(CNS(=O)(=O)N2CCCCC2)cc1 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | CNS(= |
<|startoftext|><L>O=C(CC<mask_1:6>)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1<mask_1:6> | 4 | 6 | 6 | C(=O | 6 | O=C(CCCNC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | CNC(=O |
<|startoftext|><L>O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c<mask_1:7>S(=O)(=O)N2CCCCC2)cc1<mask_1:7> | 5 | 32 | 7 | 1ccc( | 7 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(OCS(=O)(=O)N2CCCCC2)cc1 | O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | 1ccc(OC |