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| first_mask_count
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| first_mask_gen_count
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| first_mask_gen_count_real
int64 0
19
| generated_smiles
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| original_smiles
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<|startoftext|><L>Cc1noc(C)c1CO[C@H]1COCC[C@@H]1<mask_1:4>(=O)c1ccoc1C<mask_1:4> | 2 | 30 | 4 | NC | 4 | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1N(C)(=O)c1ccoc1C | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | N(C) |
<|startoftext|><L>Cc1noc(C)c1CO[C@H<mask_1:4>COCC[C@@H]1NC(=O)c1ccoc1C<mask_1:4> | 2 | 17 | 4 | ]1 | 4 | Cc1noc(C)c1CO[C@H]1CCCOCC[C@@H]1NC(=O)c1ccoc1C | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | ]1CC |
<|startoftext|><L>Cc<mask_1:3>C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C<mask_1:3> | 5 | 2 | 3 | 1noc( | 3 | Cc1n(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | 1n( |
<|startoftext|><L>Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)<mask_1:5>1C<mask_1:5> | 6 | 36 | 5 | c1ccoc | 6 | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1cnoc1C | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | c1cnoc |
<|startoftext|><L>Cc1noc(C)c1CO[<mask_1:1>H]1COCC[C@@H]1NC(=O)c1ccoc1C<mask_1:1> | 2 | 14 | 1 | C@ | 1 | Cc1noc(C)c1CO[CH]1COCC[C@@H]1NC(=O)c1ccoc1C | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | C |
<|startoftext|><L>Cc1noc(C)c1CO[C@H]1COCC[C@@H]1<mask_1:4>c1ccoc1C<mask_1:4> | 6 | 30 | 4 | NC(=O) | 4 | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1N(C)c1ccoc1C | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | N(C) |
<|startoftext|><L>Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(<mask_1:5>c1ccoc1C<mask_1:5> | 3 | 33 | 5 | =O) | 5 | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)NCc1ccoc1C | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | =O)NC |
<|startoftext|><L>Cc1noc(C)c1CO[C@H]1COCC[C@@H]<mask_1:6>(=O)c1ccoc1C<mask_1:6> | 3 | 29 | 6 | 1NC | 6 | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1N(C)C(=O)c1ccoc1C | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | 1N(C)C |
<|startoftext|><L>Cc1no<mask_1:2>1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C<mask_1:2> | 5 | 5 | 2 | c(C)c | 2 | Cc1nonc1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | nc |
<|startoftext|><L>Cc1noc(C)c1C<mask_1:4>1COCC[C@@H]1NC(=O)c1ccoc1C<mask_1:4> | 6 | 12 | 4 | O[C@H] | 4 | Cc1noc(C)c1COCCN1COCC[C@@H]1NC(=O)c1ccoc1C | Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccoc1C | OCCN |
<|startoftext|><L>C[C@H](CN[C@H](Cc1ccncc1<mask_1:1>F)F)N1CCOC[C@H]1C<mask_1:1> | 6 | 24 | 1 | )C(F)( | 1 | C[C@H](CN[C@H](Cc1ccncc1CF)F)N1CCOC[C@H]1C | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | C |
<|startoftext|><L>C[C@H](<mask_1:2>CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C<mask_1:2> | 0 | 7 | 2 | 2 | C[C@H](CCCN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | CC |
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<|startoftext|><L>C[<mask_1:5>C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C<mask_1:5> | 0 | 2 | 5 | 5 | C[C@H][C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | C@H][ |
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<|startoftext|><L>C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1<mask_1:2>CCOC[C@H]1C<mask_1:2> | 0 | 36 | 2 | 2 | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCCCOC[C@H]1C | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | CC |
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<|startoftext|><L>C[C@H]<mask_1:3>N[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C<mask_1:3> | 2 | 6 | 3 | (C | 3 | C[C@H](CCN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | (CC |
<|startoftext|><L>C[C@H](CN[C@H](Cc1ccncc1)<mask_1:7>(F)(F)F)N1CCOC[C@H]1C<mask_1:7> | 1 | 25 | 7 | C | 7 | C[C@H](CN[C@H](Cc1ccncc1)C(=O)CC(F)(F)F)N1CCOC[C@H]1C | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | C(=O)CC |
<|startoftext|><L>C[C@H](CN[C@H](Cc1ccncc1)C(F)(F<mask_1:7>COC[C@H]1C<mask_1:7> | 6 | 31 | 7 | )F)N1C | 7 | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)CN1CCOC[C@H]1C | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | )F)CN1C |
<|startoftext|><L>C[C@H](CN[C@H](<mask_1:3>c1)C(F)(F)F)N1CCOC[C@H]1C<mask_1:3> | 7 | 15 | 3 | Cc1ccnc | 3 | C[C@H](CN[C@H](C1Cc1)C(F)(F)F)N1CCOC[C@H]1C | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | C1C |
<|startoftext|><L>C[C@H](CN[C@H](Cc1ccncc1)C(F<mask_1:6>)N1CCOC[C@H]1C<mask_1:6> | 5 | 28 | 6 | )(F)F | 5 | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | )(F)F |
<|startoftext|><L>C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F<mask_1:6>N1CCOC[C@H]1C<mask_1:6> | 1 | 33 | 6 | ) | 6 | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)C(=O)N1CCOC[C@H]1C | C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)N1CCOC[C@H]1C | )C(=O) |
<|startoftext|><L>CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C<mask_1:9>@H]3CS(=O)(=O)C[C@@H]32)cc1<mask_1:9> | 0 | 36 | 9 | 9 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@@H](C)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | @@H](C)[C |
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<|startoftext|><L>CC(C)c1ccc(N2/C(=N\C(=O)<mask_1:8>ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1<mask_1:8> | 2 | 24 | 8 | c3 | 8 | CC(C)c1ccc(N2/C(=N\C(=O)C(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | C(=O)Cc3 |
<|startoftext|><L>CC(C)c1c<mask_1:7>C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1<mask_1:7> | 6 | 8 | 7 | cc(N2/ | 7 | CC(C)c1ccc(CN2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | cc(CN2/ |
<|startoftext|><L>CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[<mask_1:6>)cc1<mask_1:6> | 7 | 52 | 6 | C@@H]32 | 6 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | C@H]32 |
<|startoftext|><L>CC(C)c1ccc<mask_1:9>N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1<mask_1:9> | 7 | 10 | 9 | (N2/C(= | 9 | CC(C)c1ccc(N2/C(=N\N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | (N2/C(=N\ |
<|startoftext|><L>CC(C)c1ccc(N2/C(=N\C<mask_1:5>(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1<mask_1:5> | 0 | 20 | 5 | 5 | CC(C)c1ccc(N2/C(=N\C(=O)C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | (=O)C |
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<|startoftext|><L>CC(C)c1ccc(N2/C(=N\C(=O)c3ccc<mask_1:1>3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1<mask_1:1> | 2 | 29 | 1 | cc | 1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccco3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | o |
<|startoftext|><L>CC(C)c1ccc(N2/C(=N\C(=<mask_1:7>cccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1<mask_1:7> | 5 | 22 | 7 | O)c3c | 7 | CC(C)c1ccc(N2/C(=N\C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | O)COc3c |
<|startoftext|><L>CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3<mask_1:7>@H]3CS(=O)(=O)C[C@@H]32)cc1<mask_1:7> | 4 | 32 | 7 | )S[C | 7 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3Cl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | Cl)S[C@ |
<|startoftext|><L>CC(C)c1ccc(N2/C(<mask_1:8>C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1<mask_1:8> | 3 | 16 | 8 | =N\ | 8 | CC(C)c1ccc(N2/C(=N\C(=O)C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | CC(C)c1ccc(N2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 | =N\C(=O) |
<|startoftext|><L>CN1CCN(<mask_1:6>=O)[C@H](Sc2ccccc2)c2ccccc2)CC1<mask_1:6> | 2 | 7 | 6 | C( | 6 | CN1CCN(CCCNC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | CCCNC( |
<|startoftext|><L>CN1CCN(C(=O)<mask_1:3>[C@H](Sc2ccccc2)c2ccccc2)CC1<mask_1:3> | 0 | 12 | 3 | 3 | CN1CCN(C(=O)NCC[C@H](Sc2ccccc2)c2ccccc2)CC1 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | NCC |
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<|startoftext|><L>CN1CCN(C(=O)[C@H](Sc2ccccc2)c2cc<mask_1:6>)CC1<mask_1:6> | 4 | 32 | 6 | ccc2 | 6 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2Cl)CC1 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | ccc2Cl |
<|startoftext|><L>CN1CCN(C(=O<mask_1:5>(Sc2ccccc2)c2ccccc2)CC1<mask_1:5> | 6 | 11 | 5 | )[C@H] | 5 | CN1CCN(C(=O)C(O)(Sc2ccccc2)c2ccccc2)CC1 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | )C(O) |
<|startoftext|><L>CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2<mask_1:5>C1<mask_1:5> | 2 | 36 | 5 | )C | 5 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C(O)C1 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | )C(O) |
<|startoftext|><L>CN1CC<mask_1:4>(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1<mask_1:4> | 3 | 5 | 4 | N(C | 4 | CN1CCC(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | C(NC |
<|startoftext|><L>C<mask_1:1>(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1<mask_1:1> | 5 | 1 | 1 | N1CCN | 1 | C1(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | 1 |
<|startoftext|><L>CN1CCN(C(=O<mask_1:6>C@H](Sc2ccccc2)c2ccccc2)CC1<mask_1:6> | 2 | 11 | 6 | )[ | 6 | CN1CCN(C(=O)CCCC[C@H](Sc2ccccc2)c2ccccc2)CC1 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | )CCCC[ |
<|startoftext|><L>CN1CCN(C(=O)[C@H](Sc2cc<mask_1:6>c2)c2ccccc2)CC1<mask_1:6> | 2 | 23 | 6 | cc | 6 | CN1CCN(C(=O)[C@H](Sc2ccc(Cl)cc2)c2ccccc2)CC1 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | c(Cl)c |
<|startoftext|><L>CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2<mask_1:6>CC1<mask_1:6> | 1 | 36 | 6 | ) | 6 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C(=O)CC1 | CN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 | )C(=O) |
<|startoftext|><L>Cc1nc(-c2ccc([C<mask_1:6>]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C<mask_1:6> | 2 | 15 | 6 | @H | 6 | Cc1nc(-c2ccc([C@H][C@]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | @H][C@ |
<|startoftext|><L>Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=<mask_1:7>(C)C)C3)nc2)sc1C<mask_1:7> | 3 | 31 | 7 | O)N | 7 | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)CC(C)(C)C)C3)nc2)sc1C | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | O)CC(C) |
<|startoftext|><L>Cc1nc(<mask_1:5>ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C<mask_1:5> | 3 | 6 | 5 | -c2 | 5 | Cc1nc(CCOc2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | CCOc2 |
<|startoftext|><L>Cc1nc(-c2ccc([C@H]3CC<mask_1:2>S(=O)(=O)N(C)C)C3)nc2)sc1C<mask_1:2> | 3 | 21 | 2 | CN( | 2 | Cc1nc(-c2ccc([C@H]3CCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | N( |
<|startoftext|><L>Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(<mask_1:6>=O)N(C)C)C3)nc2)sc1C<mask_1:6> | 0 | 30 | 6 | 6 | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)CC(=O)N(C)C)C3)nc2)sc1C | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | =O)CC( |
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<|startoftext|><L>Cc1nc(-c2ccc([C@H]3CCCN(S(=O)<mask_1:6>=O)N(C)C)C3)nc2)sc1C<mask_1:6> | 1 | 29 | 6 | ( | 6 | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)C(=O)N(C)C)C3)nc2)sc1C | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | (=O)C( |
<|startoftext|><L>Cc1nc(-c2ccc([C@H]3CCCN(S(=O)<mask_1:7>N(C)C)C3)nc2)sc1C<mask_1:7> | 4 | 29 | 7 | (=O) | 7 | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)CCCN(C)C)C3)nc2)sc1C | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | (=O)CCC |
<|startoftext|><L>Cc1nc(-c2c<mask_1:4>c([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C<mask_1:4> | 1 | 10 | 4 | c | 4 | Cc1nc(-c2cc(C)c([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | c(C) |
<|startoftext|><L>Cc1nc(-c2ccc([C@H]<mask_1:2>CN(S(=O)(=O)N(C)C)C3)nc2)sc1C<mask_1:2> | 3 | 18 | 2 | 3CC | 2 | Cc1nc(-c2ccc([C@H]3CCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | 3C |
<|startoftext|><L>Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C<mask_1:6>C3)nc2)sc1C<mask_1:6> | 1 | 38 | 6 | ) | 6 | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C(C)C)CC3)nc2)sc1C | Cc1nc(-c2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C | (C)C)C |
<|startoftext|><L>O=C(O)[C@H]<mask_1:4>CCOc2c(Cl)cccc2Cl)C1<mask_1:4> | 5 | 11 | 4 | 1CCN( | 4 | O=C(O)[C@H]1CN(CCOc2c(Cl)cccc2Cl)C1 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | 1CN( |
<|startoftext|><L>O=C(O)[C<mask_1:4>]1CCN(CCOc2c(Cl)cccc2Cl)C1<mask_1:4> | 2 | 8 | 4 | @H | 3 | O=C(O)[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | @@H |
<|startoftext|><L>O=C(O)[C<mask_1:3>H]1CCN(CCOc2c(Cl)cccc2Cl)C1<mask_1:3> | 1 | 8 | 3 | @ | 2 | O=C(O)[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | @@ |
<|startoftext|><L>O=C(O)<mask_1:4>H]1CCN(CCOc2c(Cl)cccc2Cl)C1<mask_1:4> | 3 | 6 | 4 | [C@ | 4 | O=C(O)[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | [C@@ |
<|startoftext|><L>O=C(O)[C@H]1CCN(CC<mask_1:4>Oc2c(Cl)cccc2Cl)C1<mask_1:4> | 0 | 18 | 4 | 4 | O=C(O)[C@H]1CCN(CC(=O)Oc2c(Cl)cccc2Cl)C1 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | (=O) |
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<|startoftext|><L>O=C(O)[C<mask_1:5>CCN(CCOc2c(Cl)cccc2Cl)C1<mask_1:5> | 4 | 8 | 5 | @H]1 | 5 | O=C(O)[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | @@H]1 |
<|startoftext|><L>O=C(O)[C@H]1CC<mask_1:2>N(CCOc2c(Cl)cccc2Cl)C1<mask_1:2> | 0 | 14 | 2 | 2 | O=C(O)[C@H]1CCCCN(CCOc2c(Cl)cccc2Cl)C1 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | CC |
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<|startoftext|><L>O=C(O)[C@H]1CCN(CC<mask_1:1>(Cl)cccc2Cl)C1<mask_1:1> | 4 | 18 | 1 | Oc2c | 1 | O=C(O)[C@H]1CCN(CC2(Cl)cccc2Cl)C1 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | 2 |
<|startoftext|><L>O=C(O)[C@H]<mask_1:3>CN(CCOc2c(Cl)cccc2Cl)C1<mask_1:3> | 2 | 11 | 3 | 1C | 3 | O=C(O)[C@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | 1CC |
<|startoftext|><L>O=C(O)[C@H]1CCN(CCOc2c(Cl)ccc<mask_1:3>C1<mask_1:3> | 5 | 29 | 3 | c2Cl) | 3 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2)C1 | O=C(O)[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1 | c2) |
<|startoftext|><L>Cc1cccc(CN2CCCC[C@@H]2c2csc(<mask_1:5>nccn3)n2)n1<mask_1:5> | 4 | 28 | 5 | Nc3c | 5 | Cc1cccc(CN2CCCC[C@@H]2c2csc(NCc3cnccn3)n2)n1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | NCc3c |
<|startoftext|><L>Cc1cccc(CN2CCCC<mask_1:6>H]2c2csc(Nc3cnccn3)n2)n1<mask_1:6> | 4 | 15 | 6 | [C@@ | 6 | Cc1cccc(CN2CCCCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | CC[C@@ |
<|startoftext|><L>Cc1cccc(CN2CCCC[C@@H]2c2csc(N<mask_1:1>c3cnccn3)n2)n1<mask_1:1> | 0 | 29 | 1 | 1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(NCc3cnccn3)n2)n1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | C |
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<|startoftext|><L>Cc1cc<mask_1:3>N2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1<mask_1:3> | 4 | 5 | 3 | cc(C | 3 | Cc1cccc(N2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | cc( |
<|startoftext|><L>Cc1cccc<mask_1:5>2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1<mask_1:5> | 3 | 7 | 5 | (CN | 5 | Cc1cccc(OCCN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | (OCCN |
<|startoftext|><L>Cc1cccc(CN2CCCC[C@@H]2c2csc(N<mask_1:5>ccn3)n2)n1<mask_1:5> | 4 | 29 | 5 | c3cn | 5 | Cc1cccc(CN2CCCC[C@@H]2c2csc(NCc3ccccn3)n2)n1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | Cc3cc |
<|startoftext|><L>Cc<mask_1:5>CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1<mask_1:5> | 6 | 2 | 5 | 1cccc( | 5 | Cc1noc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | 1noc( |
<|startoftext|><L>Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc<mask_1:6>cn3)n2)n1<mask_1:6> | 4 | 30 | 6 | 3cnc | 6 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cn(C)cn3)n2)n1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | 3cn(C) |
<|startoftext|><L>Cc1cccc(C<mask_1:6>CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1<mask_1:6> | 2 | 9 | 6 | N2 | 6 | Cc1cccc(C(=O)N2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | (=O)N2 |
<|startoftext|><L>Cc1cc<mask_1:3>2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1<mask_1:3> | 5 | 5 | 3 | cc(CN | 3 | Cc1ccn(N2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 | n(N |
<|startoftext|><L>Fc1cccc(CN<mask_1:3>3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1<mask_1:3> | 4 | 10 | 3 | 2CCc | 3 | Fc1cccc(CN2Cc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | 2Cc |
<|startoftext|><L>Fc1cccc(CN2CCc3[nH<mask_1:5>c(-c4ccc5c(c4)OCO5)c3C2)c1<mask_1:5> | 2 | 18 | 5 | ]n | 5 | Fc1cccc(CN2CCc3[nH]c(C)c(-c4ccc5c(c4)OCO5)c3C2)c1 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | ]c(C) |
<|startoftext|><L>Fc1cccc<mask_1:3>N2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1<mask_1:3> | 2 | 7 | 3 | (C | 3 | Fc1cccc(CCN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | (CC |
<|startoftext|><L>Fc1cccc(<mask_1:5>CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1<mask_1:5> | 0 | 8 | 5 | 5 | Fc1cccc(CN(C)CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | CN(C) |
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<|startoftext|><L>Fc1cccc(CN2CCc3[nH]nc(-c<mask_1:5>(c4)OCO5)c3C2)c1<mask_1:5> | 6 | 24 | 5 | 4ccc5c | 5 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5(c4)OCO5)c3C2)c1 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | 4ccc5 |
<|startoftext|><L>Fc1c<mask_1:4>c(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1<mask_1:4> | 2 | 4 | 4 | cc | 4 | Fc1c[nH]c(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | [nH] |
<|startoftext|><L>Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C<mask_1:5>2)c1<mask_1:5> | 0 | 42 | 5 | 5 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C(=S)C2)c1 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | (=S)C |
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<|startoftext|><L>Fc1cc<mask_1:4>2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1<mask_1:4> | 5 | 5 | 4 | cc(CN | 4 | Fc1cccc(N2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | cc(N |
<|startoftext|><L>Fc1c<mask_1:3>N2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1<mask_1:3> | 5 | 4 | 3 | ccc(C | 3 | Fc1cnn(N2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | nn( |
<|startoftext|><L>Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2<mask_1:2>)c1<mask_1:2> | 0 | 43 | 2 | 2 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2=S)c1 | Fc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 | =S |
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<|startoftext|><L>O=<mask_1:5>NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1<mask_1:5> | 2 | 2 | 5 | C( | 5 | O=C(NCCNCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | C(NCC |
<|startoftext|><L>O=C(NC<mask_1:8>Cc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1<mask_1:8> | 0 | 6 | 8 | 8 | O=C(NC[C@H](O)Cc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | [C@H](O) |
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<|startoftext|><L>O=C(NCC<mask_1:4>c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1<mask_1:4> | 2 | 7 | 4 | c1 | 4 | O=C(NCCCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | CCc1 |
<|startoftext|><L>O=C(NCCc1c<mask_1:3>ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1<mask_1:3> | 6 | 10 | 3 | [nH]c2 | 3 | O=C(NCCc1csc2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | sc2 |
<|startoftext|><L>O=C(<mask_1:7>NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1<mask_1:7> | 0 | 4 | 7 | 7 | O=C(OCC(=O)NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | OCC(=O) |
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<|startoftext|><L>O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)<mask_1:1>)CC2)cc1<mask_1:1> | 5 | 42 | 1 | C3CC3 | 1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)O)CC2)cc1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | O |
<|startoftext|><L>O<mask_1:3>Cc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1<mask_1:3> | 5 | 1 | 3 | =C(NC | 3 | O=C(Cc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | =C( |
<|startoftext|><L>O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CC<mask_1:5>C(=O)C3CC3)CC2)cc1<mask_1:5> | 2 | 35 | 5 | N( | 5 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(CCNC(=O)C3CC3)CC2)cc1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | N(CCN |
<|startoftext|><L>O=C(NC<mask_1:8>]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1<mask_1:8> | 7 | 6 | 8 | Cc1c[nH | 8 | O=C(NCCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | CCc1c[nH |
<|startoftext|><L>O=C(NCCc1c[nH]c2ccccc12)c1ccc<mask_1:7>N(C(=O)C3CC3)CC2)cc1<mask_1:7> | 6 | 29 | 7 | (OC2CC | 7 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OCC2CCN(C(=O)C3CC3)CC2)cc1 | O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 | (OCC2CC |
<|startoftext|><L>CNc1cc([C@H]2CCCN2C(=O)c2<mask_1:3>3ccc(F)cc3[nH]2)nc(C)n1<mask_1:3> | 2 | 25 | 3 | cc | 4 | CNc1cc([C@H]2CCCN2C(=O)c2cccc3ccc(F)cc3[nH]2)nc(C)n1 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | cccc |
<|startoftext|><L>C<mask_1:1>Nc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1<mask_1:1> | 0 | 1 | 1 | 1 | CCNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | C |
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<|startoftext|><L>CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)<mask_1:5>C)n1<mask_1:5> | 3 | 43 | 5 | nc( | 5 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(COC)n1 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | nc(CO |
<|startoftext|><L>CNc1cc<mask_1:6>C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1<mask_1:6> | 2 | 6 | 6 | ([ | 6 | CNc1cc(CCOC[C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | (CCOC[ |
<|startoftext|><L>CNc1cc([C@H]2CCCN2C(=O)c2c<mask_1:7>c(F)cc3[nH]2)nc(C)n1<mask_1:7> | 4 | 26 | 7 | c3cc | 7 | CNc1cc([C@H]2CCCN2C(=O)c2cc3c(F)cc(F)cc3[nH]2)nc(C)n1 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | c3c(F)c |
<|startoftext|><L>CNc1cc([C@H]2CCCN2C(=O)<mask_1:7>3ccc(F)cc3[nH]2)nc(C)n1<mask_1:7> | 4 | 23 | 7 | c2cc | 7 | CNc1cc([C@H]2CCCN2C(=O)CCCc2nc3ccc(F)cc3[nH]2)nc(C)n1 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | CCCc2nc |
<|startoftext|><L>CNc1cc([C@H]2CCCN2C(=O)c2cc3<mask_1:6>F)cc3[nH]2)nc(C)n1<mask_1:6> | 4 | 28 | 6 | ccc( | 6 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(OCF)cc3[nH]2)nc(C)n1 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | ccc(OC |
<|startoftext|><L>CNc1cc([C@H]2CCCN2C<mask_1:2>)c2cc3ccc(F)cc3[nH]2)nc(C)n1<mask_1:2> | 3 | 19 | 2 | (=O | 2 | CNc1cc([C@H]2CCCN2C(C)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | (C |
<|startoftext|><L>CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc<mask_1:5>1<mask_1:5> | 4 | 45 | 5 | (C)n | 5 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(OC)n1 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | (OC)n |
<|startoftext|><L>CNc1cc([C@H]2CCCN<mask_1:4>C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1<mask_1:4> | 1 | 17 | 4 | 2 | 4 | CNc1cc([C@H]2CCCN2CCNC(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | CNc1cc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)nc(C)n1 | 2CCN |