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stringlengths 47
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| first_mask_count
int64 0
16
| first_start_index
int64 0
176
| first_mask_gen_count
int64 1
16
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stringlengths 0
16
| first_mask_gen_count_real
int64 0
19
| generated_smiles
stringlengths 10
199
| original_smiles
stringlengths 10
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stringlengths 0
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<|startoftext|><L>Cc1ccc2c(CC(=O)N3CC<mask_1:4>C[C@@H]3c3cnn(C)c3)c[nH]c2c1<mask_1:4> | 0 | 19 | 4 | 4 | Cc1ccc2c(CC(=O)N3CCN(C)C[C@@H]3c3cnn(C)c3)c[nH]c2c1 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | N(C) |
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<|startoftext|><L>Cc1ccc2c(<mask_1:7>)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1<mask_1:7> | 5 | 9 | 7 | CC(=O | 7 | Cc1ccc2c(CCNC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | CCNC(=O |
<|startoftext|><L>Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(<mask_1:5>)c3)c[nH]c2c1<mask_1:5> | 1 | 33 | 5 | C | 5 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C(C)C)c3)c[nH]c2c1 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | C(C)C |
<|startoftext|><L>Cc1ccc2c(CC(=O)N3CCC<mask_1:2>[C@@H]3c3cnn(C)c3)c[nH]c2c1<mask_1:2> | 0 | 20 | 2 | 2 | Cc1ccc2c(CC(=O)N3CCCCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | CC |
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<|startoftext|><L>Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn<mask_1:3>c[nH]c2c1<mask_1:3> | 6 | 32 | 3 | (C)c3) | 3 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnns3)c[nH]c2c1 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | s3) |
<|startoftext|><L>Cc1ccc2c(CC(=O)N3CCC[C@<mask_1:7>cnn(C)c3)c[nH]c2c1<mask_1:7> | 6 | 23 | 7 | @H]3c3 | 7 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3Cc3cnn(C)c3)c[nH]c2c1 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | @H]3Cc3 |
<|startoftext|><L>Cc1ccc2c(CC(=O)N<mask_1:7>C@@H]3c3cnn(C)c3)c[nH]c2c1<mask_1:7> | 5 | 16 | 7 | 3CCC[ | 7 | Cc1ccc2c(CC(=O)N3CCCCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | 3CCCCC[ |
<|startoftext|><L>Cc1ccc2c(CC(=O)N<mask_1:7>C[C@@H]3c3cnn(C)c3)c[nH]c2c1<mask_1:7> | 3 | 16 | 7 | 3CC | 7 | Cc1ccc2c(CC(=O)N[C@H]3CC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | [C@H]3C |
<|startoftext|><L>Cc1ccc2c(CC(=O)N3C<mask_1:5>H]3c3cnn(C)c3)c[nH]c2c1<mask_1:5> | 6 | 18 | 5 | CC[C@@ | 5 | Cc1ccc2c(CC(=O)N3CCC[C@H]3c3cnn(C)c3)c[nH]c2c1 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | CC[C@ |
<|startoftext|><L>Cc1ccc2c(C<mask_1:6>(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1<mask_1:6> | 1 | 10 | 6 | C | 6 | Cc1ccc2c(C(=O)CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 | (=O)CC |
<|startoftext|><L>CCCOc1ccc(-c2ccc<mask_1:6>=O)N(C(C)C)C(C)C)cc1CO<mask_1:6> | 5 | 16 | 6 | cc2C( | 6 | CCCOc1ccc(-c2ccccc2NC(=O)N(C(C)C)C(C)C)cc1CO | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | cc2NC( |
<|startoftext|><L>CCCOc1ccc(-c2ccccc2C(=O)N(C(C)<mask_1:6>C(C)C)cc1CO<mask_1:6> | 2 | 30 | 6 | C) | 6 | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C(C)C)cc1CO | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | C)C(C) |
<|startoftext|><L>CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)<mask_1:6>C(C)C)cc1CO<mask_1:6> | 0 | 32 | 6 | 6 | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(=O)OC(C)C)cc1CO | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | C(=O)O |
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<|startoftext|><L>CCCO<mask_1:5>ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO<mask_1:5> | 2 | 4 | 5 | c1 | 5 | CCCOCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | CCOc1 |
<|startoftext|><L>CCCOc1cc<mask_1:5>-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO<mask_1:5> | 2 | 8 | 5 | c( | 5 | CCCOc1cc(C)c(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | (C)c( |
<|startoftext|><L>CCCOc1ccc(-c2ccccc2C(=O<mask_1:4>)N(C(C)C)C(C)C)cc1CO<mask_1:4> | 0 | 23 | 4 | 4 | CCCOc1ccc(-c2ccccc2C(=O)N(C)N(C(C)C)C(C)C)cc1CO | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | )N(C |
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<|startoftext|><L>CCCOc1ccc(<mask_1:4>2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO<mask_1:4> | 2 | 10 | 4 | -c | 4 | CCCOc1ccc(CNCc2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | CNCc |
<|startoftext|><L>CCCOc1ccc(-c<mask_1:2>ccc2C(=O)N(C(C)C)C(C)C)cc1CO<mask_1:2> | 3 | 12 | 2 | 2cc | 2 | CCCOc1ccc(-c2occc2C(=O)N(C(C)C)C(C)C)cc1CO | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | 2o |
<|startoftext|><L>CCCOc1cc<mask_1:5>(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO<mask_1:5> | 1 | 8 | 5 | c | 5 | CCCOc1cc(CO)c(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | (CO)c |
<|startoftext|><L>CCCOc1c<mask_1:5>c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO<mask_1:5> | 4 | 7 | 5 | cc(- | 5 | CCCOc1ccc(COc2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | CCCOc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc1CO | cc(CO |
<|startoftext|><L>O=C(NC[C@@H]1CCCO1)c1ccc(<mask_1:8>O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1<mask_1:8> | 4 | 25 | 8 | NC(= | 8 | O=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | NS(=O)(= |
<|startoftext|><L>O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C<mask_1:10>)[C@H]3C=C[C@H]2C3)cc1<mask_1:10> | 5 | 45 | 10 | (=O)O | 10 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C(=O)[C@H]3C=C[C@H]2C3)cc1 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | (=O)O)C(=O |
<|startoftext|><L>O=C(N<mask_1:9>@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1<mask_1:9> | 4 | 5 | 9 | C[C@ | 9 | O=C(NC(=S)NC[C@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | C(=S)NC[C |
<|startoftext|><L>O=C(<mask_1:3>1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1<mask_1:3> | 8 | 4 | 3 | NC[C@@H] | 3 | O=C(NCC1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | NCC |
<|startoftext|><L>O=C(NC[C@@H]1CCCO1)c1ccc(N<mask_1:4>@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1<mask_1:4> | 8 | 26 | 4 | C(=O)[C@ | 4 | O=C(NC[C@@H]1CCCO1)c1ccc(NC[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | C[C@ |
<|startoftext|><L>O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=<mask_1:9>H]3C=C[C@H]2C3)cc1<mask_1:9> | 7 | 47 | 9 | O)O)[C@ | 8 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | O)O)[C@@ |
<|startoftext|><L>O=C(NC[C@<mask_1:7>CCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1<mask_1:7> | 5 | 9 | 7 | @H]1C | 7 | O=C(NC[C@@H]1COCCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | @H]1COC |
<|startoftext|><L>O=C(NC[C@@H]1CCCO1)c1cc<mask_1:10>C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1<mask_1:10> | 3 | 23 | 10 | c(N | 10 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | c(NC(=O)CO |
<|startoftext|><L>O=<mask_1:6>@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1<mask_1:6> | 7 | 2 | 6 | C(NC[C@ | 6 | O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | C(NC[C |
<|startoftext|><L>O=C(NC[C@@H]1CCCO1)c1ccc<mask_1:7>NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1<mask_1:7> | 1 | 24 | 7 | ( | 7 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=S)NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 | (NC(=S) |
<|startoftext|><L>O=C1CCN(c2ccccc2C<mask_1:3>CC[C@H]2CCc2cccc(O)c2)C(=O)N1<mask_1:3> | 8 | 17 | 3 | (=O)N2CC | 3 | O=C1CCN(c2ccccc2CN2CCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | N2C |
<|startoftext|><L>O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc<mask_1:5>c2)C(=O)N1<mask_1:5> | 8 | 36 | 5 | 2cccc(O) | 5 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2ccccc2)C(=O)N1 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | 2cccc |
<|startoftext|><L>O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]<mask_1:4>cccc(O)c2)C(=O)N1<mask_1:4> | 5 | 32 | 4 | 2CCc2 | 4 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2Cc2cccc(O)c2)C(=O)N1 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | 2Cc2 |
<|startoftext|><L>O=C1CCN(c2ccccc2C(=O)N<mask_1:2>2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1<mask_1:2> | 0 | 22 | 2 | 2 | O=C1CCN(c2ccccc2C(=O)NCN2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | CN |
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<|startoftext|><L>O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C<mask_1:5>(=O)N1<mask_1:5> | 0 | 48 | 5 | 5 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)C(=O)N1 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | (=O)C |
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<|startoftext|><L>O=C1CCN<mask_1:6>c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1<mask_1:6> | 1 | 7 | 6 | ( | 6 | O=C1CCN(C(=O)c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | (C(=O) |
<|startoftext|><L>O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2c<mask_1:7>O)c2)C(=O)N1<mask_1:7> | 4 | 38 | 7 | ccc( | 7 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(OCCO)c2)C(=O)N1 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | ccc(OCC |
<|startoftext|><L>O<mask_1:4>N(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1<mask_1:4> | 5 | 1 | 4 | =C1CC | 4 | O=C1CN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | =C1C |
<|startoftext|><L>O=C1CCN(c2ccccc2C(=<mask_1:6>N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1<mask_1:6> | 2 | 19 | 6 | O) | 6 | O=C1CCN(c2ccccc2C(=O)NCCCN2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | O)NCCC |
<|startoftext|><L>O=C1CCN(c2ccccc2C(=O)N2CCC<mask_1:7>H]2CCc2cccc(O)c2)C(=O)N1<mask_1:7> | 4 | 26 | 7 | C[C@ | 7 | O=C1CCN(c2ccccc2C(=O)N2CCCCCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)C(=O)N1 | CCCC[C@ |
<|startoftext|><L>COC(=O)Oc1cc<mask_1:1>=N/NC(=S)Nc2ccccc2)cc1OC<mask_1:1> | 4 | 12 | 1 | c(/C | 1 | COC(=O)Oc1cc(=N/NC(=S)Nc2ccccc2)cc1OC | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | ( |
<|startoftext|><L>CO<mask_1:2>O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC<mask_1:2> | 3 | 2 | 2 | C(= | 2 | COC(O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | C( |
<|startoftext|><L>COC(=O)Oc1ccc(/C=N/NC(=S)<mask_1:6>c2ccccc2)cc1OC<mask_1:6> | 1 | 25 | 6 | N | 6 | COC(=O)Oc1ccc(/C=N/NC(=S)NC(=O)c2ccccc2)cc1OC | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | NC(=O) |
<|startoftext|><L>COC(=O)Oc1ccc(/C=N/<mask_1:6>NC(=S)Nc2ccccc2)cc1OC<mask_1:6> | 0 | 19 | 6 | 6 | COC(=O)Oc1ccc(/C=N/NC(=S)NC(=S)Nc2ccccc2)cc1OC | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | NC(=S) |
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<|startoftext|><L>C<mask_1:2>)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC<mask_1:2> | 5 | 1 | 2 | OC(=O | 2 | C(C)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | (C |
<|startoftext|><L>COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)<mask_1:4>1OC<mask_1:4> | 2 | 35 | 4 | cc | 4 | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)c(O)1OC | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | c(O) |
<|startoftext|><L>COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccc<mask_1:5>2)cc1OC<mask_1:5> | 2 | 31 | 5 | cc | 5 | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)cc1OC | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | (C)cc |
<|startoftext|><L>COC(=O)<mask_1:5>1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC<mask_1:5> | 2 | 7 | 5 | Oc | 5 | COC(=O)CCCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | CCCOc |
<|startoftext|><L>COC(=O)Oc1ccc(/C=N<mask_1:6>=S)Nc2ccccc2)cc1OC<mask_1:6> | 4 | 18 | 6 | /NC( | 6 | COC(=O)Oc1ccc(/C=N/CCNC(=S)Nc2ccccc2)cc1OC | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | /CCNC( |
<|startoftext|><L>COC(=O)Oc1ccc(/C=<mask_1:5>S)Nc2ccccc2)cc1OC<mask_1:5> | 6 | 17 | 5 | N/NC(= | 5 | COC(=O)Oc1ccc(/C=N\C(=S)Nc2ccccc2)cc1OC | COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC | N\C(= |
<|startoftext|><L>O=C(O)c1nc[nH]c1C(=O)NCCCS<mask_1:1>CCCC1<mask_1:1> | 3 | 26 | 1 | C1C | 1 | O=C(O)c1nc[nH]c1C(=O)NCCCS1CCCC1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | 1 |
<|startoftext|><L>O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCC<mask_1:1>1<mask_1:1> | 2 | 31 | 1 | CC | 1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCC1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | C |
<|startoftext|><L>O=C(O)c1nc[nH]<mask_1:5>c1C(=O)NCCCSC1CCCCC1<mask_1:5> | 0 | 14 | 5 | 5 | O=C(O)c1nc[nH]c(=O)c1C(=O)NCCCSC1CCCCC1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | c(=O) |
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<|startoftext|><L>O=C(O)c1nc[nH]c1<mask_1:5>)NCCCSC1CCCCC1<mask_1:5> | 4 | 16 | 5 | C(=O | 5 | O=C(O)c1nc[nH]c1NC(=S)NCCCSC1CCCCC1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | NC(=S |
<|startoftext|><L>O=C(O)c1nc[nH]c1C(=O)<mask_1:5>NCCCSC1CCCCC1<mask_1:5> | 0 | 21 | 5 | 5 | O=C(O)c1nc[nH]c1C(=O)NCCCCNCCCSC1CCCCC1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | NCCCC |
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<|startoftext|><L><mask_1:1>C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1<mask_1:1> | 2 | 0 | 1 | O= | 1 | CC(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | C |
<|startoftext|><L>O=C(O)c1nc[nH]c1<mask_1:5>)NCCCSC1CCCCC1<mask_1:5> | 4 | 16 | 5 | C(=O | 5 | O=C(O)c1nc[nH]c1NC(=S)NCCCSC1CCCCC1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | NC(=S |
<|startoftext|><L>O=C<mask_1:4>)c1nc[nH]c1C(=O)NCCCSC1CCCCC1<mask_1:4> | 2 | 3 | 4 | (O | 4 | O=C(NCC)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | (NCC |
<|startoftext|><L>O=C(O)c1nc[nH]c1C(=O)NCCCSC1<mask_1:5>CCCC1<mask_1:5> | 1 | 28 | 5 | C | 5 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCCCCCC1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | CCCCC |
<|startoftext|><L><mask_1:1>(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1<mask_1:1> | 3 | 0 | 1 | O=C | 1 | C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | O=C(O)c1nc[nH]c1C(=O)NCCCSC1CCCCC1 | C |
<|startoftext|><L>C[C@@H]1C<mask_1:3>N(CCc2ccncc2)CCN1Cc1nccn1C<mask_1:3> | 0 | 9 | 3 | 3 | C[C@@H]1CCCCN(CCc2ccncc2)CCN1Cc1nccn1C | C[C@@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | CCC |
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<|startoftext|><L>C[C@@H]1C<mask_1:4>N(CCc2ccncc2)CCN1Cc1nccn1C<mask_1:4> | 0 | 9 | 4 | 4 | C[C@@H]1C(=O)N(CCc2ccncc2)CCN1Cc1nccn1C | C[C@@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | (=O) |
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<|startoftext|><L>C[C@@H]1CN(CCc2ccncc2)<mask_1:3>CN1Cc1nccn1C<mask_1:3> | 1 | 22 | 3 | C | 3 | C[C@@H]1CN(CCc2ccncc2)CCCCN1Cc1nccn1C | C[C@@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | CCC |
<|startoftext|><L>C[C@@H]1CN(CCc<mask_1:2>ncc2)CCN1Cc1nccn1C<mask_1:2> | 3 | 14 | 2 | 2cc | 2 | C[C@@H]1CN(CCc2sncc2)CCN1Cc1nccn1C | C[C@@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | 2s |
<|startoftext|><L>C[C<mask_1:2>CN(CCc2ccncc2)CCN1Cc1nccn1C<mask_1:2> | 5 | 3 | 2 | @@H]1 | 2 | C[C]1CN(CCc2ccncc2)CCN1Cc1nccn1C | C[C@@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | ]1 |
<|startoftext|><L>C[C@@H]1C<mask_1:2>2ccncc2)CCN1Cc1nccn1C<mask_1:2> | 5 | 9 | 2 | N(CCc | 2 | C[C@@H]1C(c2ccncc2)CCN1Cc1nccn1C | C[C@@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | (c |
<|startoftext|><L>C[<mask_1:2>H]1CN(CCc2ccncc2)CCN1Cc1nccn1C<mask_1:2> | 3 | 2 | 2 | C@@ | 2 | C[C@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | C[C@@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | C@ |
<|startoftext|><L>C[C@@H]1CN(CCc2ccncc2)<mask_1:3>CN1Cc1nccn1C<mask_1:3> | 1 | 22 | 3 | C | 3 | C[C@@H]1CN(CCc2ccncc2)CCCCN1Cc1nccn1C | C[C@@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | CCC |
<|startoftext|><L>C[C@@H]1CN(CCc2ccncc2)CC<mask_1:4>Cc1nccn1C<mask_1:4> | 2 | 24 | 4 | N1 | 4 | C[C@@H]1CN(CCc2ccncc2)CCCN1CCc1nccn1C | C[C@@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | CN1C |
<|startoftext|><L>C[<mask_1:4>1CN(CCc2ccncc2)CCN1Cc1nccn1C<mask_1:4> | 5 | 2 | 4 | C@@H] | 4 | C[C@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | C[C@@H]1CN(CCc2ccncc2)CCN1Cc1nccn1C | C@H] |
<|startoftext|><L>O=C(N[C@@H]<mask_1:6>)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12<mask_1:6> | 7 | 11 | 6 | 1CCS(=O | 6 | O=C(N[C@@H]1CS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | 1CS(=O |
<|startoftext|><L>O=C(N[C@@H]1CCS<mask_1:2>1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12<mask_1:2> | 9 | 15 | 2 | (=O)(=O)C | 2 | O=C(N[C@@H]1CCSCC1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | CC |
<|startoftext|><L>O=C(N[C@@H]1CCS(=O)(=O)C1)<mask_1:6>-c2ccccc2)nc2nc(N3CCCCC3)sc12<mask_1:6> | 5 | 26 | 6 | c1cc( | 6 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(C-c2ccccc2)nc2nc(N3CCCCC3)sc12 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | c1cc(C |
<|startoftext|><L>O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc<mask_1:7>cccc2)nc2nc(N3CCCCC3)sc12<mask_1:7> | 5 | 30 | 7 | (-c2c | 7 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(NCCc2ccccc2)nc2nc(N3CCCCC3)sc12 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | (NCCc2c |
<|startoftext|><L>O=C(N[C@@H<mask_1:5>CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12<mask_1:5> | 2 | 10 | 5 | ]1 | 5 | O=C(N[C@@H]1CN=CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | ]1CN= |
<|startoftext|><L>O=C(N[C@@H<mask_1:6>(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12<mask_1:6> | 5 | 10 | 6 | ]1CCS | 6 | O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | ]1C=CS |
<|startoftext|><L>O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2<mask_1:8>ccc2)nc2nc(N3CCCCC3)sc12<mask_1:8> | 2 | 34 | 8 | cc | 8 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2c(F)c(F)ccc2)nc2nc(N3CCCCC3)sc12 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | c(F)c(F) |
<|startoftext|><L>O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(<mask_1:6>CCCC3)sc12<mask_1:6> | 3 | 47 | 6 | N3C | 6 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCCCCC3)sc12 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | N3CCCC |
<|startoftext|><L>O=C(N[C@@H]1CCS(=O)(=O)C<mask_1:3>)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12<mask_1:3> | 1 | 24 | 3 | 1 | 3 | O=C(N[C@@H]1CCS(=O)(=O)C1=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | 1=O |
<|startoftext|><L>O=C<mask_1:4>CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12<mask_1:4> | 9 | 3 | 4 | (N[C@@H]1 | 4 | O=C(NC1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 | (NC1 |
<|startoftext|><L>O=C(O)[C@H]1CN(Cc2cc<mask_1:5>N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1<mask_1:5> | 3 | 20 | 5 | cc( | 5 | O=C(O)[C@H]1CN(Cc2cccc(CCN3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | O=C(O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | cc(CC |
<|startoftext|><L>O=C(O)[C@H]1CN(Cc2cccc(<mask_1:4>C3)c2)C[C@@H]1c1ccc(F)cc1<mask_1:4> | 6 | 23 | 4 | N3CCOC | 4 | O=C(O)[C@H]1CN(Cc2cccc(OC3CC3)c2)C[C@@H]1c1ccc(F)cc1 | O=C(O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | OC3C |
<|startoftext|><L>O=C(O)<mask_1:4>[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1<mask_1:4> | 0 | 6 | 4 | 4 | O=C(O)CCOC[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | O=C(O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | CCOC |
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<|startoftext|><L>O=C(O)[C@H]1CN(Cc2cccc(<mask_1:4>CCOCC3)c2)C[C@@H]1c1ccc(F)cc1<mask_1:4> | 2 | 23 | 4 | N3 | 4 | O=C(O)[C@H]1CN(Cc2cccc(CCN3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | O=C(O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | CCN3 |
<|startoftext|><L>O=C(O)[C@<mask_1:5>2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1<mask_1:5> | 8 | 9 | 5 | H]1CN(Cc | 5 | O=C(O)[C@]1(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | O=C(O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | ]1(Cc |
<|startoftext|><L>O=C(<mask_1:4>[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1<mask_1:4> | 2 | 4 | 4 | O) | 4 | O=C(O)CC[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | O=C(O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | O)CC |
<|startoftext|><L>O=C(O)[C@H]1CN(Cc2cccc(N3CC<mask_1:4>c2)C[C@@H]1c1ccc(F)cc1<mask_1:4> | 5 | 27 | 4 | OCC3) | 4 | O=C(O)[C@H]1CN(Cc2cccc(N3CCCC3)c2)C[C@@H]1c1ccc(F)cc1 | O=C(O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | CC3) |
<|startoftext|><L>O=C(O)[C@H]1C<mask_1:5>(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1<mask_1:5> | 1 | 13 | 5 | N | 5 | O=C(O)[C@H]1C(=O)N(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | O=C(O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | (=O)N |
<|startoftext|><L>O<mask_1:4>O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1<mask_1:4> | 3 | 1 | 4 | =C( | 4 | O=C(CO)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | O=C(O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | =C(C |
<|startoftext|><L>O=C(O)[C@H]1CN(Cc2cccc(<mask_1:8>CCOCC3)c2)C[C@@H]1c1ccc(F)cc1<mask_1:8> | 2 | 23 | 8 | N3 | 8 | O=C(O)[C@H]1CN(Cc2cccc(C(=O)NC3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | O=C(O)[C@H]1CN(Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccc(F)cc1 | C(=O)NC3 |
<|startoftext|><L>NC(=O<mask_1:3>N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1<mask_1:3> | 1 | 5 | 3 | ) | 3 | NC(=O)CCN1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | )CC |
<|startoftext|><L>NC(=O)N1Cc2nc<mask_1:2>3CCOCC3)c2[C@H](C(=O)O)C1<mask_1:2> | 4 | 13 | 2 | n(CC | 2 | NC(=O)N1Cc2nc(N3CCOCC3)c2[C@H](C(=O)O)C1 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | (N |
<|startoftext|><L>N<mask_1:5>(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1<mask_1:5> | 1 | 1 | 5 | C | 5 | NS(=O)(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | S(=O) |
<|startoftext|><L>NC(=O)N1<mask_1:3>cn(CC3CCOCC3)c2[C@H](C(=O)O)C1<mask_1:3> | 4 | 8 | 3 | Cc2n | 3 | NC(=O)N1c2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | c2n |
<|startoftext|><L>NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=<mask_1:6>O)C1<mask_1:6> | 2 | 36 | 6 | O) | 6 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)N(C)O)C1 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | O)N(C) |
<|startoftext|><L>NC(=O<mask_1:5>ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1<mask_1:5> | 6 | 5 | 5 | )N1Cc2 | 5 | NC(=O)N1c2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | )N1c2 |
<|startoftext|><L>NC(=<mask_1:4>1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1<mask_1:4> | 3 | 4 | 4 | O)N | 4 | NC(=O)CN1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | O)CN |
<|startoftext|><L>NC(=O)N1Cc2ncn(CC3CC<mask_1:1>C3)c2[C@H](C(=O)O)C1<mask_1:1> | 2 | 20 | 1 | OC | 1 | NC(=O)N1Cc2ncn(CC3CCCC3)c2[C@H](C(=O)O)C1 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | C |
<|startoftext|><L>NC(=O)N1Cc2ncn(CC3CC<mask_1:2>OCC3)c2[C@H](C(=O)O)C1<mask_1:2> | 0 | 20 | 2 | 2 | NC(=O)N1Cc2ncn(CC3CCCCOCC3)c2[C@H](C(=O)O)C1 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | CC |
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<|startoftext|><L>NC(=O)N1Cc2ncn(C<mask_1:3>3CCOCC3)c2[C@H](C(=O)O)C1<mask_1:3> | 1 | 16 | 3 | C | 3 | NC(=O)N1Cc2ncn(CCCN3CCOCC3)c2[C@H](C(=O)O)C1 | NC(=O)N1Cc2ncn(CC3CCOCC3)c2[C@H](C(=O)O)C1 | CCN |
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