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stringlengths 49
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| first_mask_count
int64 0
16
| first_start_index
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224
| first_mask_gen_count
int64 1
16
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stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 12
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| original_smiles
stringlengths 12
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| generated_tokens
stringlengths 0
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>Cc1cc(C(=<mask_1:6>[C@@H](CN(C)C)[C@@H](CO)C2)cs1<mask_1:6> | 5 | 9 | 6 | O)N2C | 6 | Cc1cc(C(=O)N2CC[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | O)N2CC |
<|startoftext|><L>Cc1cc(<mask_1:4>=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1<mask_1:4> | 2 | 6 | 4 | C( | 4 | Cc1cc(CCC(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | CCC( |
<|startoftext|><L>Cc1cc(C(=O)N2C[C@@H](C<mask_1:3>C)[C@@H](CO)C2)cs1<mask_1:3> | 4 | 22 | 3 | N(C) | 3 | Cc1cc(C(=O)N2C[C@@H](C(C)C)[C@@H](CO)C2)cs1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | (C) |
<|startoftext|><L>Cc1cc(C(=O)N2<mask_1:5>@@H](CN(C)C)[C@@H](CO)C2)cs1<mask_1:5> | 3 | 13 | 5 | C[C | 5 | Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | CCO[C |
<|startoftext|><L>Cc1cc(C(=O)N2C[C@@H](CN(C)C)<mask_1:1>(CO)C2)cs1<mask_1:1> | 6 | 28 | 1 | [C@@H] | 1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)C(CO)C2)cs1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | C |
<|startoftext|><L>Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)<mask_1:3>1<mask_1:3> | 2 | 41 | 3 | cs | 3 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)ccn1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | ccn |
<|startoftext|><L>Cc1cc(C(=O)N2C[C@@H](CN(C)C<mask_1:3>[C@@H](CO)C2)cs1<mask_1:3> | 1 | 27 | 3 | ) | 3 | Cc1cc(C(=O)N2C[C@@H](CN(C)CCO)[C@@H](CO)C2)cs1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | CO) |
<|startoftext|><L>Cc1cc(C(=O)N2C[C@@H](<mask_1:4>C)C)[C@@H](CO)C2)cs1<mask_1:4> | 3 | 21 | 4 | CN( | 4 | Cc1cc(C(=O)N2C[C@@H](CCN(C)C)[C@@H](CO)C2)cs1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | CCN( |
<|startoftext|><L>Cc1cc(C(=O)N2C[C@@H](CN(C)C)<mask_1:5>(CO)C2)cs1<mask_1:5> | 6 | 28 | 5 | [C@@H] | 5 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@H](CO)C2)cs1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | [C@H] |
<|startoftext|><L>Cc1cc(C(=O)N2C[C@@H<mask_1:6>CN(C)C)[C@@H](CO)C2)cs1<mask_1:6> | 2 | 19 | 6 | ]( | 6 | Cc1cc(C(=O)N2C[C@@H](CCOCCN(C)C)[C@@H](CO)C2)cs1 | Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1 | ](CCOC |
<|startoftext|><L>C=C1C[C@H]2CC[C<mask_1:2>](C1)N2c1nc(C)nc2c1cnn2C<mask_1:2> | 3 | 15 | 2 | @@H | 2 | C=C1C[C@H]2CC[C@H](C1)N2c1nc(C)nc2c1cnn2C | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | @H |
<|startoftext|><L>C=C1C[C@H]2CC[C@@H](C1)N2c<mask_1:1>nc2c1cnn2C<mask_1:1> | 6 | 26 | 1 | 1nc(C) | 1 | C=C1C[C@H]2CC[C@@H](C1)N2c1nc2c1cnn2C | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | 1 |
<|startoftext|><L>C=C1C[C@H]2CC[C@@H](C<mask_1:5>c1nc(C)nc2c1cnn2C<mask_1:5> | 4 | 21 | 5 | 1)N2 | 5 | C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(C)nc2c1cnn2C | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | 1)N2C |
<|startoftext|><L>C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C<mask_1:4>c2c1cnn2C<mask_1:4> | 2 | 31 | 4 | )n | 4 | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(COC)nc2c1cnn2C | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | OC)n |
<|startoftext|><L>C=C1C<mask_1:2>C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C<mask_1:2> | 1 | 5 | 2 | [ | 2 | C=C1CC[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | C[ |
<|startoftext|><L>C=C1C<mask_1:2>2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C<mask_1:2> | 5 | 5 | 2 | [C@H] | 2 | C=C1CCC2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | CC |
<|startoftext|><L>C=C1C[C<mask_1:2>H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C<mask_1:2> | 1 | 7 | 2 | @ | 2 | C=C1C[C@@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | @@ |
<|startoftext|><L>C=C<mask_1:4>H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C<mask_1:4> | 5 | 3 | 4 | 1C[C@ | 4 | C=C1C[CH]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | 1C[C |
<|startoftext|><L><mask_1:3>[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C<mask_1:3> | 5 | 0 | 3 | C=C1C | 3 | CC1[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | CC1 |
<|startoftext|><L>C=C1C[C@H]2CC[C@@H](C1)N2<mask_1:5>(C)nc2c1cnn2C<mask_1:5> | 4 | 25 | 5 | c1nc | 5 | C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)nc2c1cnn2C | C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1cnn2C | Cc1cc |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)<mask_1:1>O)=O)c(C)c1<mask_1:1> | 6 | 44 | 1 | S(C)(= | 1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)(O)=O)c(C)c1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | ( |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c<mask_1:2>)S(C)(=O)=O)c(C)c1<mask_1:2> | 1 | 42 | 2 | 2 | 2 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2C)S(C)(=O)=O)c(C)c1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | 2C |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O<mask_1:5>C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1<mask_1:5> | 2 | 19 | 5 | )[ | 5 | CCOC(=O)c1ccc(NC(=O)NCC[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | )NCC[ |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)<mask_1:7>S(C)(=O)=O)c(C)c1<mask_1:7> | 3 | 41 | 7 | c2) | 7 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)C(C)S(C)(=O)=O)c(C)c1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | c2)C(C) |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)<mask_1:5>1<mask_1:5> | 8 | 52 | 5 | =O)c(C)c | 5 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | =O)cc |
<|startoftext|><L>CCOC(=O)c1ccc(<mask_1:1>[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1<mask_1:1> | 6 | 14 | 1 | NC(=O) | 1 | CCOC(=O)c1ccc(C[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | C |
<|startoftext|><L>CCOC(=O<mask_1:2>c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1<mask_1:2> | 1 | 7 | 2 | ) | 2 | CCOC(=O)Cc1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | )C |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C<mask_1:3>(C)c1<mask_1:3> | 9 | 47 | 3 | )(=O)=O)c | 3 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)C)(C)c1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | )C) |
<|startoftext|><L>CCOC(=O)<mask_1:8>cc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1<mask_1:8> | 3 | 8 | 8 | c1c | 8 | CCOC(=O)C(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | C(=O)c1c |
<|startoftext|><L>CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc<mask_1:6>Cl)c2)S(C)(=O)=O)c(C)c1<mask_1:6> | 2 | 36 | 6 | c( | 6 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(C)c1 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 | (Cl)c( |
<|startoftext|><L>COc1ccc(NC(=O)COC(=O)c2cccn<mask_1:2>l)cc1<mask_1:2> | 3 | 27 | 2 | c2C | 2 | COc1ccc(NC(=O)COC(=O)c2cccn2Cl)cc1 | COc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 | 2C |
<|startoftext|><L>COc1ccc(NC(=O)COC(=O)c2cc<mask_1:4>c2Cl)cc1<mask_1:4> | 2 | 25 | 4 | cn | 4 | COc1ccc(NC(=O)COC(=O)c2cc(C)sc2Cl)cc1 | COc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 | (C)s |
<|startoftext|><L>COc<mask_1:2>(NC(=O)COC(=O)c2cccnc2Cl)cc1<mask_1:2> | 4 | 3 | 2 | 1ccc | 2 | COc1c(NC(=O)COC(=O)c2cccnc2Cl)cc1 | COc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 | 1c |
<|startoftext|><L>COc1ccc(NC(=O<mask_1:5>COC(=O)c2cccnc2Cl)cc1<mask_1:5> | 1 | 13 | 5 | ) | 5 | COc1ccc(NC(=O)CCCCCOC(=O)c2cccnc2Cl)cc1 | COc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 | )CCCC |
<|startoftext|><L>COc1ccc<mask_1:2>NC(=O)COC(=O)c2cccnc2Cl)cc1<mask_1:2> | 1 | 7 | 2 | ( | 2 | COc1ccc(CNC(=O)COC(=O)c2cccnc2Cl)cc1 | COc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 | (C |
<|startoftext|><L>CO<mask_1:2>(NC(=O)COC(=O)c2cccnc2Cl)cc1<mask_1:2> | 5 | 2 | 2 | c1ccc | 2 | COc1(NC(=O)COC(=O)c2cccnc2Cl)cc1 | COc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 | c1 |
<|startoftext|><L>COc1ccc(NC(=O)COC(=O)<mask_1:4>cccnc2Cl)cc1<mask_1:4> | 2 | 21 | 4 | c2 | 4 | COc1ccc(NC(=O)COC(=O)COc2cccnc2Cl)cc1 | COc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 | COc2 |
<|startoftext|><L>COc1ccc(NC(=O)COC(=O<mask_1:5>ccnc2Cl)cc1<mask_1:5> | 4 | 20 | 5 | )c2c | 5 | COc1ccc(NC(=O)COC(=O)Cc2cccnc2Cl)cc1 | COc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 | )Cc2c |
<|startoftext|><L>COc1ccc(NC(=O)COC(=O)c2cccnc2<mask_1:3>1<mask_1:3> | 5 | 29 | 3 | Cl)cc | 3 | COc1ccc(NC(=O)COC(=O)c2cccnc2)cc1 | COc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 | )cc |
<|startoftext|><L>COc1ccc(<mask_1:4>C(=O)COC(=O)c2cccnc2Cl)cc1<mask_1:4> | 1 | 8 | 4 | N | 4 | COc1ccc(CCCNC(=O)COC(=O)c2cccnc2Cl)cc1 | COc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 | CCCN |
<|startoftext|><L>CC(C)[C@H](O)CCN[C@H]1C[C@H]<mask_1:2>CC[C@H]1C2<mask_1:2> | 1 | 28 | 2 | 2 | 2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CCC[C@H]1C2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | 2C |
<|startoftext|><L>CC(C)[C@H](O)CCN[C@H]1C[C<mask_1:2>H]2CC[C@H]1C2<mask_1:2> | 1 | 25 | 2 | @ | 2 | CC(C)[C@H](O)CCN[C@H]1C[C@@H]2CC[C@H]1C2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | @@ |
<|startoftext|><L>CC(C)[C@H](<mask_1:2>CN[C@H]1C[C@H]2CC[C@H]1C2<mask_1:2> | 3 | 11 | 2 | O)C | 2 | CC(C)[C@H](O)CN[C@H]1C[C@H]2CC[C@H]1C2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | O) |
<|startoftext|><L>CC(C)[C@H](O)CCN[C@H]1C<mask_1:5>H]2CC[C@H]1C2<mask_1:5> | 3 | 23 | 5 | [C@ | 5 | CC(C)[C@H](O)CCN[C@H]1CC[C@@H]2CC[C@H]1C2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | C[C@@ |
<|startoftext|><L>CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[<mask_1:3>1C2<mask_1:3> | 4 | 32 | 3 | C@H] | 3 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@]1C2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | C@] |
<|startoftext|><L>CC(C)[C@H](O)CCN[C@H]1C[C@H]2<mask_1:4>CC[C@H]1C2<mask_1:4> | 0 | 29 | 4 | 4 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC=CCC[C@H]1C2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | CC=C |
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<|startoftext|><L>CC(C)[C@H](O)CCN[C@H]1C[C@H]2C<mask_1:5>C@H]1C2<mask_1:5> | 2 | 30 | 5 | C[ | 5 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC=CC[C@H]1C2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | C=CC[ |
<|startoftext|><L>CC(C)[C<mask_1:2>O)CCN[C@H]1C[C@H]2CC[C@H]1C2<mask_1:2> | 4 | 7 | 2 | @H]( | 2 | CC(C)[C](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | ]( |
<|startoftext|><L>CC(C)[C@H](<mask_1:4>O)CCN[C@H]1C[C@H]2CC[C@H]1C2<mask_1:4> | 0 | 11 | 4 | 4 | CC(C)[C@H](N)C(O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | N)C( |
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<|startoftext|><L>CC(C)[C@H](O)C<mask_1:3>[C@H]1C[C@H]2CC[C@H]1C2<mask_1:3> | 2 | 14 | 3 | CN | 3 | CC(C)[C@H](O)CCNC[C@H]1C[C@H]2CC[C@H]1C2 | CC(C)[C@H](O)CCN[C@H]1C[C@H]2CC[C@H]1C2 | CNC |
<|startoftext|><L>O[C@H](COc1cccc(C(F)(F)<mask_1:6>)CN1CCN(c2ccccc2)CC1<mask_1:6> | 4 | 23 | 6 | F)c1 | 6 | O[C@H](COc1cccc(C(F)(F)F)c1Cl)CN1CCN(c2ccccc2)CC1 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | F)c1Cl |
<|startoftext|><L>O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccc<mask_1:7>C1<mask_1:7> | 5 | 40 | 7 | cc2)C | 7 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccc(F)cc2)C1 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | (F)cc2) |
<|startoftext|><L>O[C@H](COc1cccc(<mask_1:6>F)F)c1)CN1CCN(c2ccccc2)CC1<mask_1:6> | 5 | 16 | 6 | C(F)( | 6 | O[C@H](COc1cccc(OC(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | OC(F)( |
<|startoftext|><L>O<mask_1:6>[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1<mask_1:6> | 0 | 1 | 6 | 6 | O=C(O)C[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | =C(O)C |
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<|startoftext|><L>O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN<mask_1:2>c2ccccc2)CC1<mask_1:2> | 1 | 34 | 2 | ( | 2 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(Cc2ccccc2)CC1 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | (C |
<|startoftext|><L>O[C@H]<mask_1:7>COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1<mask_1:7> | 1 | 6 | 7 | ( | 7 | O[C@H](C[C@H]COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | (C[C@H] |
<|startoftext|><L>O[C@H](COc1cccc(C<mask_1:6>F)F)c1)CN1CCN(c2ccccc2)CC1<mask_1:6> | 4 | 17 | 6 | (F)( | 6 | O[C@H](COc1cccc(COC(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | OC(F)( |
<|startoftext|><L>O[C@H](COc1cccc(C(F)(F)F)c<mask_1:6>)CN1CCN(c2ccccc2)CC1<mask_1:6> | 1 | 26 | 6 | 1 | 6 | O[C@H](COc1cccc(C(F)(F)F)c1)CN(O)CN1CCN(c2ccccc2)CC1 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | 1)CN(O |
<|startoftext|><L>O<mask_1:3>(COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1<mask_1:3> | 5 | 1 | 3 | [C@H] | 3 | OCCN(COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | CCN |
<|startoftext|><L>O[C@H](COc1cccc(C(F)(F)F)c<mask_1:5>N(c2ccccc2)CC1<mask_1:5> | 7 | 26 | 5 | 1)CN1CC | 5 | O[C@H](COc1cccc(C(F)(F)F)c1)C1CN(c2ccccc2)CC1 | O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2)CC1 | 1)C1C |
<|startoftext|><L>CC1=C(C(N)=O)[<mask_1:1>H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1<mask_1:1> | 3 | 14 | 1 | C@@ | 1 | CC1=C(C(N)=O)[CH](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | C |
<|startoftext|><L><mask_1:3>(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1<mask_1:3> | 5 | 0 | 3 | CC1=C | 3 | CC1(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | CC1 |
<|startoftext|><L><mask_1:4>C1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1<mask_1:4> | 1 | 0 | 4 | C | 4 | COCCC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | COCC |
<|startoftext|><L>CC1=C(C(N)=O)[C@@H](c2ccccc2<mask_1:5>NC(SCc3ccccc3F)=NC2=N1<mask_1:5> | 3 | 28 | 5 | )N2 | 5 | CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC(SCc3ccccc3F)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | Cl)N2 |
<|startoftext|><L>CC1=C(C(N)=O)[C@@H](c2cc<mask_1:7>2)N2NC(SCc3ccccc3F)=NC2=N1<mask_1:7> | 3 | 24 | 7 | ccc | 7 | CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)N2NC(SCc3ccccc3F)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | c(Cl)cc |
<|startoftext|><L><mask_1:7>(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1<mask_1:7> | 5 | 0 | 7 | CC1=C | 7 | O=C1C=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | O=C1C=C |
<|startoftext|><L>CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SC<mask_1:5>c3F)=NC2=N1<mask_1:5> | 6 | 36 | 5 | c3cccc | 6 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | c3cccc |
<|startoftext|><L>CC1=C(C(N)=O)[C@@H](c2ccccc2)N<mask_1:3>Cc3ccccc3F)=NC2=N1<mask_1:3> | 5 | 30 | 3 | 2NC(S | 3 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2C(Cc3ccccc3F)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | 2C( |
<|startoftext|><L>CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3c<mask_1:7>ccc3F)=NC2=N1<mask_1:7> | 1 | 39 | 7 | c | 7 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3c(F)c(F)ccc3F)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | (F)c(F) |
<|startoftext|><L>CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3<mask_1:1>=NC2=N1<mask_1:1> | 2 | 44 | 1 | F) | 1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3)=NC2=N1 | CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(SCc3ccccc3F)=NC2=N1 | ) |
<|startoftext|><L><mask_1:6>C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O<mask_1:6> | 5 | 0 | 6 | C=CCN | 6 | CC(C)NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | C=CCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | CC(C)N |
<|startoftext|><L><mask_1:1>C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O<mask_1:1> | 5 | 0 | 1 | C=CCN | 1 | CC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | C=CCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | C |
<|startoftext|><L>C=CCNC(=<mask_1:6>CCN(c1ccc(C)c(C)c1)S(C)(=O)=O<mask_1:6> | 3 | 8 | 6 | O)C | 6 | C=CCNC(=O)CCCNCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | C=CCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | O)CCCN |
<|startoftext|><L>C=CCNC(=O)CCCN(c1ccc(C)c<mask_1:5>1)S(C)(=O)=O<mask_1:5> | 4 | 24 | 5 | (C)c | 5 | C=CCNC(=O)CCCN(c1ccc(C)c(Cl)c1)S(C)(=O)=O | C=CCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | (Cl)c |
<|startoftext|><L>C=CCNC(=O)CCCN(c1<mask_1:2>ccc(C)c(C)c1)S(C)(=O)=O<mask_1:2> | 0 | 17 | 2 | 2 | C=CCNC(=O)CCCN(c1ccccc(C)c(C)c1)S(C)(=O)=O | C=CCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | cc |
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<|startoftext|><L>C=CCN<mask_1:3>CCN(c1ccc(C)c(C)c1)S(C)(=O)=O<mask_1:3> | 6 | 5 | 3 | C(=O)C | 3 | C=CCN(C)CCN(c1ccc(C)c(C)c1)S(C)(=O)=O | C=CCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | (C) |
<|startoftext|><L>C=CCNC(=O)CCCN(c1ccc(C)c<mask_1:3>)c1)S(C)(=O)=O<mask_1:3> | 2 | 24 | 3 | (C | 3 | C=CCNC(=O)CCCN(c1ccc(C)c(Cl)c1)S(C)(=O)=O | C=CCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | (Cl |
<|startoftext|><L>C=CCNC(=O)CCCN(<mask_1:6>cc(C)c(C)c1)S(C)(=O)=O<mask_1:6> | 3 | 15 | 6 | c1c | 6 | C=CCNC(=O)CCCN(c1c(C)cc(C)c(C)c1)S(C)(=O)=O | C=CCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | c1c(C) |
<|startoftext|><L>C=CCNC(=O)CC<mask_1:5>N(c1ccc(C)c(C)c1)S(C)(=O)=O<mask_1:5> | 1 | 12 | 5 | C | 5 | C=CCNC(=O)CCC(=O)N(c1ccc(C)c(C)c1)S(C)(=O)=O | C=CCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | C(=O) |
<|startoftext|><L>C=CCNC(=O)CCCN(c1ccc(<mask_1:3>c1)S(C)(=O)=O<mask_1:3> | 6 | 21 | 3 | C)c(C) | 3 | C=CCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O | C=CCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O | F)c |
<|startoftext|><L>CSC[C@@H](C<mask_1:2>CCc1nc2ccccc2n1C<mask_1:2> | 3 | 11 | 2 | )NC | 2 | CSC[C@@H](C)NCCc1nc2ccccc2n1C | CSC[C@@H](C)NCCCc1nc2ccccc2n1C | )N |
<|startoftext|><L>CSC[C@@H](C)N<mask_1:4>c1nc2ccccc2n1C<mask_1:4> | 3 | 13 | 4 | CCC | 4 | CSC[C@@H](C)N(C)Cc1nc2ccccc2n1C | CSC[C@@H](C)NCCCc1nc2ccccc2n1C | (C)C |
<|startoftext|><L>CSC[C@@H](C<mask_1:3>Cc1nc2ccccc2n1C<mask_1:3> | 4 | 11 | 3 | )NCC | 3 | CSC[C@@H](C)NCCc1nc2ccccc2n1C | CSC[C@@H](C)NCCCc1nc2ccccc2n1C | )NC |
<|startoftext|><L>CS<mask_1:1>C@@H](C)NCCCc1nc2ccccc2n1C<mask_1:1> | 2 | 2 | 1 | C[ | 1 | CS[C@@H](C)NCCCc1nc2ccccc2n1C | CSC[C@@H](C)NCCCc1nc2ccccc2n1C | [ |
<|startoftext|><L>C<mask_1:4>SC[C@@H](C)NCCCc1nc2ccccc2n1C<mask_1:4> | 0 | 1 | 4 | 4 | CC(C)SC[C@@H](C)NCCCc1nc2ccccc2n1C | CSC[C@@H](C)NCCCc1nc2ccccc2n1C | C(C) |
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<|startoftext|><L>CSC[C@@H](C)NCCCc1nc2<mask_1:2>cc2n1C<mask_1:2> | 3 | 21 | 2 | ccc | 2 | CSC[C@@H](C)NCCCc1nc2sccc2n1C | CSC[C@@H](C)NCCCc1nc2ccccc2n1C | sc |
<|startoftext|><L>CSC[C@@H](C)<mask_1:3>CCc1nc2ccccc2n1C<mask_1:3> | 2 | 12 | 3 | NC | 3 | CSC[C@@H](C)CCNCCc1nc2ccccc2n1C | CSC[C@@H](C)NCCCc1nc2ccccc2n1C | CCN |
<|startoftext|><L>CSC[C@@H](C)NCCCc1nc2<mask_1:2>cc2n1C<mask_1:2> | 3 | 21 | 2 | ccc | 2 | CSC[C@@H](C)NCCCc1nc2sccc2n1C | CSC[C@@H](C)NCCCc1nc2ccccc2n1C | sc |
<|startoftext|><L>CSC[C@@H](C)NC<mask_1:3>Cc1nc2ccccc2n1C<mask_1:3> | 1 | 14 | 3 | C | 3 | CSC[C@@H](C)NCCCNCc1nc2ccccc2n1C | CSC[C@@H](C)NCCCc1nc2ccccc2n1C | CCN |
<|startoftext|><L>CSC[C@@H](C)N<mask_1:4>CCc1nc2ccccc2n1C<mask_1:4> | 1 | 13 | 4 | C | 4 | CSC[C@@H](C)N(C)CCCc1nc2ccccc2n1C | CSC[C@@H](C)NCCCc1nc2ccccc2n1C | (C)C |
<|startoftext|><L>Cc1c[nH]c(CN(C)Cc2ccc<mask_1:3>ccc3c2)n1<mask_1:3> | 2 | 21 | 3 | 3s | 3 | Cc1c[nH]c(CN(C)Cc2ccc3ncccc3c2)n1 | Cc1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | 3nc |
<|startoftext|><L>Cc1c[nH]<mask_1:3>CN(C)Cc2ccc3sccc3c2)n1<mask_1:3> | 2 | 8 | 3 | c( | 3 | Cc1c[nH]c(CCN(C)Cc2ccc3sccc3c2)n1 | Cc1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | c(C |
<|startoftext|><L>Cc1c[nH]c(C<mask_1:4>C)Cc2ccc3sccc3c2)n1<mask_1:4> | 2 | 11 | 4 | N( | 4 | Cc1c[nH]c(CN(CCC)Cc2ccc3sccc3c2)n1 | Cc1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | N(CC |
<|startoftext|><L>Cc1c[nH]c(CN(C)Cc2ccc3scc<mask_1:4>c3c2)n1<mask_1:4> | 0 | 25 | 4 | 4 | Cc1c[nH]c(CN(C)Cc2ccc3scc(Br)c3c2)n1 | Cc1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | (Br) |
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<|startoftext|><L>Cc1c[nH]c(<mask_1:2>C)Cc2ccc3sccc3c2)n1<mask_1:2> | 3 | 10 | 2 | CN( | 2 | Cc1c[nH]c(N(C)Cc2ccc3sccc3c2)n1 | Cc1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | N( |
<|startoftext|><L>Cc1c[nH<mask_1:3>N(C)Cc2ccc3sccc3c2)n1<mask_1:3> | 4 | 7 | 3 | ]c(C | 3 | Cc1c[nH]c(N(C)Cc2ccc3sccc3c2)n1 | Cc1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | ]c( |
<|startoftext|><L>Cc1c[nH]c(C<mask_1:3>Cc2ccc3sccc3c2)n1<mask_1:3> | 4 | 11 | 3 | N(C) | 3 | Cc1c[nH]c(CCNCCc2ccc3sccc3c2)n1 | Cc1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | CNC |
<|startoftext|><L><mask_1:1>1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1<mask_1:1> | 2 | 0 | 1 | Cc | 1 | c1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | Cc1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | c |
<|startoftext|><L>Cc1c[nH]c(CN(C)Cc2<mask_1:1>c3sccc3c2)n1<mask_1:1> | 2 | 18 | 1 | cc | 1 | Cc1c[nH]c(CN(C)Cc2sc3sccc3c2)n1 | Cc1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | s |
<|startoftext|><L>Cc1c[nH]c(CN<mask_1:1>c2ccc3sccc3c2)n1<mask_1:1> | 4 | 12 | 1 | (C)C | 1 | Cc1c[nH]c(CNCc2ccc3sccc3c2)n1 | Cc1c[nH]c(CN(C)Cc2ccc3sccc3c2)n1 | C |