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stringlengths 47
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| first_mask_count
int64 0
16
| first_start_index
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176
| first_mask_gen_count
int64 1
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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>COC(=O)CNC(=O<mask_1:4>(NC(=O)C2CCN(c3ncccn3)CC2)cc1<mask_1:4> | 6 | 13 | 4 | )c1ccc | 4 | COC(=O)CNC(=O)c1s(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | )c1s |
<|startoftext|><L>COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncc<mask_1:7>C2)cc1<mask_1:7> | 5 | 37 | 7 | cn3)C | 7 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncc(C)s3)CC2)cc1 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | (C)s3)C |
<|startoftext|><L>COC(=O)CNC(=O)c1ccc(<mask_1:3>2CCN(c3ncccn3)CC2)cc1<mask_1:3> | 7 | 20 | 3 | NC(=O)C | 3 | COC(=O)CNC(=O)c1ccc(OCC2CCN(c3ncccn3)CC2)cc1 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | OCC |
<|startoftext|><L><mask_1:3>=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1<mask_1:3> | 4 | 0 | 3 | COC( | 3 | NC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | NC( |
<|startoftext|><L>CO<mask_1:3>=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1<mask_1:3> | 2 | 2 | 3 | C( | 3 | COCC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | CC( |
<|startoftext|><L>COC<mask_1:7>CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1<mask_1:7> | 4 | 3 | 7 | (=O) | 7 | COCCNC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | CNC(=O) |
<|startoftext|><L><mask_1:3>O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1<mask_1:3> | 5 | 0 | 3 | COC(= | 3 | CC(O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | CC( |
<|startoftext|><L>COC(=O)CNC(=O)c<mask_1:7>NC(=O)C2CCN(c3ncccn3)CC2)cc1<mask_1:7> | 5 | 15 | 7 | 1ccc( | 7 | COC(=O)CNC(=O)c1ccc(CCNC(=O)C2CCN(c3ncccn3)CC2)cc1 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | 1ccc(CC |
<|startoftext|><L>COC(=O)CNC<mask_1:2>)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1<mask_1:2> | 3 | 10 | 2 | (=O | 2 | COC(=O)CNC(C)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | (C |
<|startoftext|><L>COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(<mask_1:6>c3ncccn3)CC2)cc1<mask_1:6> | 0 | 32 | 6 | 6 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(C(=O)Nc3ncccn3)CC2)cc1 | COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 | C(=O)N |
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<|startoftext|><L>C<mask_1:4>COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1<mask_1:4> | 0 | 1 | 4 | 4 | CCCCCCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | CCCC |
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<|startoftext|><L>CCOc1<mask_1:5>)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1<mask_1:5> | 6 | 5 | 5 | cc(C#N | 5 | CCOc1cc(Cl)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | cc(Cl |
<|startoftext|><L>CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C<mask_1:5>O)C1<mask_1:5> | 4 | 35 | 5 | (N)= | 5 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](CC(N)=O)C1 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | C(N)= |
<|startoftext|><L>CCOc1cc(C#N)ccc1OCC(<mask_1:6>O)N1CC[C@@H](C(N)=O)C1<mask_1:6> | 1 | 20 | 6 | = | 6 | CCOc1cc(C#N)ccc1OCC(=O)C(=O)N1CC[C@@H](C(N)=O)C1 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | =O)C(= |
<|startoftext|><L>CCOc1cc(C#N)ccc1OCC<mask_1:5>)N1CC[C@@H](C(N)=O)C1<mask_1:5> | 3 | 19 | 5 | (=O | 5 | CCOc1cc(C#N)ccc1OCCNC(=O)N1CC[C@@H](C(N)=O)C1 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | NC(=O |
<|startoftext|><L>CCOc1cc(C#N)ccc1OC<mask_1:2>)N1CC[C@@H](C(N)=O)C1<mask_1:2> | 4 | 18 | 2 | C(=O | 2 | CCOc1cc(C#N)ccc1OC(C)N1CC[C@@H](C(N)=O)C1 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | (C |
<|startoftext|><L>CCOc1cc(C#N)ccc1OCC(=O)N<mask_1:3>C@@H](C(N)=O)C1<mask_1:3> | 4 | 24 | 3 | 1CC[ | 3 | CCOc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C(N)=O)C1 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | 1C[ |
<|startoftext|><L>CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C<mask_1:2>C1<mask_1:2> | 6 | 35 | 2 | (N)=O) | 2 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](CN)C1 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | N) |
<|startoftext|><L>CCOc1cc(C#N)ccc<mask_1:4>C(=O)N1CC[C@@H](C(N)=O)C1<mask_1:4> | 3 | 15 | 4 | 1OC | 4 | CCOc1cc(C#N)ccc1OCCC(=O)N1CC[C@@H](C(N)=O)C1 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | 1OCC |
<|startoftext|><L>CCOc1cc(C#N)ccc<mask_1:1>C(=O)N1CC[C@@H](C(N)=O)C1<mask_1:1> | 3 | 15 | 1 | 1OC | 1 | CCOc1cc(C#N)ccc1C(=O)N1CC[C@@H](C(N)=O)C1 | CCOc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C(N)=O)C1 | 1 |
<|startoftext|><L>CCC(=O)N1N=C(c2ccc(C)o2)C[C@<mask_1:1>]1c1cccc(F)c1<mask_1:1> | 2 | 28 | 1 | @H | 1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1cccc(F)c1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | H |
<|startoftext|><L>CCC(=O)N1N=C(c2c<mask_1:4>c(C)o2)C[C@@H]1c1cccc(F)c1<mask_1:4> | 1 | 16 | 4 | c | 4 | CCC(=O)N1N=C(c2cc(C)c(C)o2)C[C@@H]1c1cccc(F)c1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | c(C) |
<|startoftext|><L>CCC(=O)<mask_1:3>N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1<mask_1:3> | 2 | 7 | 3 | N1 | 3 | CCC(=O)N1CN=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | N1C |
<|startoftext|><L>CCC(=O<mask_1:3>C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1<mask_1:3> | 5 | 6 | 3 | )N1N= | 3 | CCC(=O)N1C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | )N1 |
<|startoftext|><L>CCC(=O)N1N=C(c2ccc(C)o2<mask_1:4>)C[C@@H]1c1cccc(F)c1<mask_1:4> | 0 | 23 | 4 | 4 | CCC(=O)N1N=C(c2ccc(C)o2)C(C)C[C@@H]1c1cccc(F)c1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | )C(C |
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<|startoftext|><L>C<mask_1:2>O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1<mask_1:2> | 4 | 1 | 2 | CC(= | 2 | C(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | (= |
<|startoftext|><L>CCC(=<mask_1:4>=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1<mask_1:4> | 5 | 5 | 4 | O)N1N | 4 | CCC(=O)C1=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | O)C1 |
<|startoftext|><L>CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cc<mask_1:5>(F)c1<mask_1:5> | 2 | 36 | 5 | cc | 5 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1ccc(F)c(F)c1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | c(F)c |
<|startoftext|><L>CCC(=O<mask_1:5>N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1<mask_1:5> | 1 | 6 | 5 | ) | 5 | CCC(=O)NCCCN1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | )NCCC |
<|startoftext|><L>CCC(=O)N1N=C(c2ccc<mask_1:5>)o2)C[C@@H]1c1cccc(F)c1<mask_1:5> | 2 | 18 | 5 | (C | 5 | CCC(=O)N1N=C(c2ccc(OCCC)o2)C[C@@H]1c1cccc(F)c1 | CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1cccc(F)c1 | (OCCC |
<|startoftext|><L>COc1ccc(N2CCN(c3ncnc4sccc34)[C@@<mask_1:6>)C2=O)cc1<mask_1:6> | 4 | 32 | 6 | H](C | 6 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C#N)C2=O)cc1 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | H](C#N |
<|startoftext|><L>COc1cc<mask_1:3>c(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1<mask_1:3> | 0 | 6 | 3 | 3 | COc1cc(C)c(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | (C) |
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<|startoftext|><L>COc1ccc(N2CCN(c3ncnc4sccc34<mask_1:3>](C)C2=O)cc1<mask_1:3> | 6 | 27 | 3 | )[C@@H | 3 | COc1ccc(N2CCN(c3ncnc4sccc34)[n](C)C2=O)cc1 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | )[n |
<|startoftext|><L><mask_1:3>Oc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1<mask_1:3> | 1 | 0 | 3 | C | 3 | CCCOc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | CCC |
<|startoftext|><L>COc1ccc(N2CCN(c3ncnc4sccc34)[<mask_1:2>(C)C2=O)cc1<mask_1:2> | 5 | 29 | 2 | C@@H] | 2 | COc1ccc(N2CCN(c3ncnc4sccc34)[C](C)C2=O)cc1 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | C] |
<|startoftext|><L>COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C<mask_1:3>c1<mask_1:3> | 5 | 38 | 3 | 2=O)c | 3 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2)cc1 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | 2)c |
<|startoftext|><L>COc1ccc(N2CCN(c3ncnc4sc<mask_1:6>4)[C@@H](C)C2=O)cc1<mask_1:6> | 3 | 23 | 6 | cc3 | 6 | COc1ccc(N2CCN(c3ncnc4scc(C)c34)[C@@H](C)C2=O)cc1 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | c(C)c3 |
<|startoftext|><L>COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O<mask_1:5>c1<mask_1:5> | 2 | 41 | 5 | )c | 5 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)c(C)c1 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | )c(C) |
<|startoftext|><L>COc1cc<mask_1:6>CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1<mask_1:6> | 4 | 6 | 6 | c(N2 | 6 | COc1ccc(CN2CCCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | c(CN2C |
<|startoftext|><L>COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2<mask_1:2>c1<mask_1:2> | 4 | 39 | 2 | =O)c | 2 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2)cc1 | COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 | )c |
<|startoftext|><L>O<mask_1:2>=S1(=O)CC[C@H](NCc2ccccc2F)C1<mask_1:2> | 0 | 1 | 2 | 2 | O=C=S1(=O)CC[C@H](NCc2ccccc2F)C1 | O=S1(=O)CC[C@H](NCc2ccccc2F)C1 | =C |
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<|startoftext|><L>O=S1(=O)CC[<mask_1:2>@H](NCc2ccccc2F)C1<mask_1:2> | 1 | 11 | 2 | C | 2 | O=S1(=O)CC[C@@H](NCc2ccccc2F)C1 | O=S1(=O)CC[C@H](NCc2ccccc2F)C1 | C@ |
<|startoftext|><L>O=S1(=O)CC[C@<mask_1:1>(NCc2ccccc2F)C1<mask_1:1> | 2 | 13 | 1 | H] | 1 | O=S1(=O)CC[C@](NCc2ccccc2F)C1 | O=S1(=O)CC[C@H](NCc2ccccc2F)C1 | ] |
<|startoftext|><L><mask_1:3>(=O)CC[C@H](NCc2ccccc2F)C1<mask_1:3> | 4 | 0 | 3 | O=S1 | 3 | N1C(=O)CC[C@H](NCc2ccccc2F)C1 | O=S1(=O)CC[C@H](NCc2ccccc2F)C1 | N1C |
<|startoftext|><L>O=S1(=O)CC[C@H](N<mask_1:1>cccc2F)C1<mask_1:1> | 4 | 17 | 1 | Cc2c | 1 | O=S1(=O)CC[C@H](N2cccc2F)C1 | O=S1(=O)CC[C@H](NCc2ccccc2F)C1 | 2 |
<|startoftext|><L>O=S1(=O<mask_1:3>C@H](NCc2ccccc2F)C1<mask_1:3> | 4 | 7 | 3 | )CC[ | 3 | O=S1(=O)C[C@H](NCc2ccccc2F)C1 | O=S1(=O)CC[C@H](NCc2ccccc2F)C1 | )C[ |
<|startoftext|><L>O=S1(=O)CC<mask_1:4>H](NCc2ccccc2F)C1<mask_1:4> | 3 | 10 | 4 | [C@ | 4 | O=S1(=O)CCC[C@H](NCc2ccccc2F)C1 | O=S1(=O)CC[C@H](NCc2ccccc2F)C1 | C[C@ |
<|startoftext|><L>O=S1(=O)CC<mask_1:3>](NCc2ccccc2F)C1<mask_1:3> | 4 | 10 | 3 | [C@H | 3 | O=S1(=O)CC[C@](NCc2ccccc2F)C1 | O=S1(=O)CC[C@H](NCc2ccccc2F)C1 | [C@ |
<|startoftext|><L>O=S1(=O)CC[C@H](NCc2ccc<mask_1:2>)C1<mask_1:2> | 4 | 23 | 2 | cc2F | 2 | O=S1(=O)CC[C@H](NCc2cccs2)C1 | O=S1(=O)CC[C@H](NCc2ccccc2F)C1 | s2 |
<|startoftext|><L>O=S1(<mask_1:2>C[C@H](NCc2ccccc2F)C1<mask_1:2> | 4 | 5 | 2 | =O)C | 2 | O=S1(O)C[C@H](NCc2ccccc2F)C1 | O=S1(=O)CC[C@H](NCc2ccccc2F)C1 | O) |
<|startoftext|><L>O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1<mask_1:3>N(Cc2ccccc2)CC1<mask_1:3> | 2 | 34 | 3 | CC | 3 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=CCN(Cc2ccccc2)CC1 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | =CC |
<|startoftext|><L>O=C(Nc1ccc(S(=O)(<mask_1:1>)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1<mask_1:1> | 2 | 17 | 1 | =O | 1 | O=C(Nc1ccc(S(=O)(O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | O |
<|startoftext|><L>O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccc<mask_1:7>CC1<mask_1:7> | 4 | 44 | 7 | cc2) | 7 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | (F)cc2) |
<|startoftext|><L>O=C(Nc1ccc(S(=O)(=<mask_1:5>2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1<mask_1:5> | 3 | 18 | 5 | O)N | 5 | O=C(Nc1ccc(S(=O)(=O)NCC2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | O)NCC |
<|startoftext|><L>O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc<mask_1:5>C1<mask_1:5> | 3 | 46 | 5 | 2)C | 5 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | 2Cl)C |
<|startoftext|><L>O=C(Nc1ccc(S(=O)(=O)N2C<mask_1:3>cc1)C1CCN(Cc2ccccc2)CC1<mask_1:3> | 5 | 23 | 3 | CCC2) | 3 | O=C(Nc1ccc(S(=O)(=O)N2CC2)cc1)C1CCN(Cc2ccccc2)CC1 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | C2) |
<|startoftext|><L>O=C(N<mask_1:1>cc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1<mask_1:1> | 3 | 5 | 1 | c1c | 1 | O=C(N1cc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | 1 |
<|startoftext|><L>O=C(Nc1ccc(S(=O)(<mask_1:7>CCC2)cc1)C1CCN(Cc2ccccc2)CC1<mask_1:7> | 6 | 17 | 7 | =O)N2C | 7 | O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | =O)N2CC |
<|startoftext|><L>O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1<mask_1:2>c2ccccc2)CC1<mask_1:2> | 5 | 34 | 2 | CCN(C | 2 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1(Cc2ccccc2)CC1 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | (C |
<|startoftext|><L>O=C(Nc1ccc(S(=O<mask_1:3>CCCC2)cc1)C1CCN(Cc2ccccc2)CC1<mask_1:3> | 7 | 15 | 3 | )(=O)N2 | 3 | O=C(Nc1ccc(S(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 | )N2 |
<|startoftext|><L>O=C(c1ccco1<mask_1:3>1CCN(c2csc3ccccc3c2=O)CC1<mask_1:3> | 2 | 11 | 3 | )N | 3 | O=C(c1ccco1)NC1CCN(c2csc3ccccc3c2=O)CC1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CC1 | )NC |
<|startoftext|><L>O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)<mask_1:1>CC1<mask_1:1> | 0 | 35 | 1 | 1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CCC1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CC1 | C |
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<|startoftext|><L>O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)C<mask_1:2>C1<mask_1:2> | 0 | 36 | 2 | 2 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CCCC1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CC1 | CC |
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<|startoftext|><L>O=C(c1ccco1)N<mask_1:5>1CCN(c2csc3ccccc3c2=O)CC1<mask_1:5> | 0 | 13 | 5 | 5 | O=C(c1ccco1)N(CO)C1CCN(c2csc3ccccc3c2=O)CC1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CC1 | (CO)C |
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<|startoftext|><L>O=C(c1ccco1)N1CCN(<mask_1:5>2csc3ccccc3c2=O)CC1<mask_1:5> | 1 | 18 | 5 | c | 5 | O=C(c1ccco1)N1CCN(CCCOc2csc3ccccc3c2=O)CC1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CC1 | CCCOc |
<|startoftext|><L>O=C(c1ccco1)N<mask_1:3>(c2csc3ccccc3c2=O)CC1<mask_1:3> | 4 | 13 | 3 | 1CCN | 3 | O=C(c1ccco1)N1CC(c2csc3ccccc3c2=O)CC1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CC1 | 1CC |
<|startoftext|><L>O=C(c1ccco1)N1CCN(c2csc3c<mask_1:5>ccc3c2=O)CC1<mask_1:5> | 1 | 25 | 5 | c | 5 | O=C(c1ccco1)N1CCN(c2csc3c(Cl)cccc3c2=O)CC1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CC1 | (Cl)c |
<|startoftext|><L>O=C(c1ccco1<mask_1:3>1CCN(c2csc3ccccc3c2=O)CC1<mask_1:3> | 2 | 11 | 3 | )N | 3 | O=C(c1ccco1)NC1CCN(c2csc3ccccc3c2=O)CC1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CC1 | )NC |
<|startoftext|><L>O=C(c1ccco1)<mask_1:3>(c2csc3ccccc3c2=O)CC1<mask_1:3> | 5 | 12 | 3 | N1CCN | 3 | O=C(c1ccco1)NC1(c2csc3ccccc3c2=O)CC1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CC1 | NC1 |
<|startoftext|><L>O=C(c1cc<mask_1:5>o1)N1CCN(c2csc3ccccc3c2=O)CC1<mask_1:5> | 1 | 8 | 5 | c | 5 | O=C(c1ccc(CO)o1)N1CCN(c2csc3ccccc3c2=O)CC1 | O=C(c1ccco1)N1CCN(c2csc3ccccc3c2=O)CC1 | c(CO) |
<|startoftext|><L>CC[C<mask_1:1>H](C)NC(=S)NCc1c(Cl)cnn1CC<mask_1:1> | 2 | 4 | 1 | @@ | 1 | CC[C@H](C)NC(=S)NCc1c(Cl)cnn1CC | CC[C@@H](C)NC(=S)NCc1c(Cl)cnn1CC | @ |
<|startoftext|><L>CC[C@@H](C)NC(=S)N<mask_1:3>c1c(Cl)cnn1CC<mask_1:3> | 1 | 18 | 3 | C | 3 | CC[C@@H](C)NC(=S)N(C)c1c(Cl)cnn1CC | CC[C@@H](C)NC(=S)NCc1c(Cl)cnn1CC | (C) |
<|startoftext|><L>CC[C@@H](C)NC(=S<mask_1:2>NCc1c(Cl)cnn1CC<mask_1:2> | 1 | 16 | 2 | ) | 2 | CC[C@@H](C)NC(=S)NNCc1c(Cl)cnn1CC | CC[C@@H](C)NC(=S)NCc1c(Cl)cnn1CC | )N |
<|startoftext|><L>CC[C@@H](C)NC(=<mask_1:2>Cc1c(Cl)cnn1CC<mask_1:2> | 3 | 15 | 2 | S)N | 2 | CC[C@@H](C)NC(=O)Cc1c(Cl)cnn1CC | CC[C@@H](C)NC(=S)NCc1c(Cl)cnn1CC | O) |
<|startoftext|><L>CC[C@@H](C)NC(=S<mask_1:3>Cc1c(Cl)cnn1CC<mask_1:3> | 2 | 16 | 3 | )N | 3 | CC[C@@H](C)NC(=S)NCCc1c(Cl)cnn1CC | CC[C@@H](C)NC(=S)NCc1c(Cl)cnn1CC | )NC |
<|startoftext|><L>CC[C@@H](C)N<mask_1:4>S)NCc1c(Cl)cnn1CC<mask_1:4> | 3 | 12 | 4 | C(= | 4 | CC[C@@H](C)NNC(=S)NCc1c(Cl)cnn1CC | CC[C@@H](C)NC(=S)NCc1c(Cl)cnn1CC | NC(= |
<|startoftext|><L>CC[C@@H](C)NC<mask_1:2>NCc1c(Cl)cnn1CC<mask_1:2> | 4 | 13 | 2 | (=S) | 2 | CC[C@@H](C)NCCCNCc1c(Cl)cnn1CC | CC[C@@H](C)NC(=S)NCc1c(Cl)cnn1CC | CC |
<|startoftext|><L>CC[C@@H](C)NC(=S)NCc1c(Cl)<mask_1:4>n1CC<mask_1:4> | 2 | 26 | 4 | cn | 4 | CC[C@@H](C)NC(=S)NCc1c(Cl)ccccn1CC | CC[C@@H](C)NC(=S)NCc1c(Cl)cnn1CC | cccc |
<|startoftext|><L>CC[C@@H](C)NC<mask_1:2>)NCc1c(Cl)cnn1CC<mask_1:2> | 3 | 13 | 2 | (=S | 2 | CC[C@@H](C)NC(C)NCc1c(Cl)cnn1CC | CC[C@@H](C)NC(=S)NCc1c(Cl)cnn1CC | (C |
<|startoftext|><L>CC[C@@H](C)NC(=S)NCc1c<mask_1:4>)cnn1CC<mask_1:4> | 3 | 22 | 4 | (Cl | 4 | CC[C@@H](C)NC(=S)NCc1c(C#N)cnn1CC | CC[C@@H](C)NC(=S)NCc1c(Cl)cnn1CC | (C#N |
<|startoftext|><L>CCC[C@H](N<mask_1:5>O)N1CCO[C@@H](c2cccc(Br)c2)C1<mask_1:5> | 4 | 10 | 5 | )C(= | 5 | CCC[C@H](NC)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | C)C(= |
<|startoftext|><L>CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c<mask_1:6>)C1<mask_1:6> | 1 | 39 | 6 | 2 | 6 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C(=O)C1 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | 2)C(=O |
<|startoftext|><L>CCC[C@H](N)C(=O)N1CCO[C@@<mask_1:1>(c2cccc(Br)c2)C1<mask_1:1> | 2 | 25 | 1 | H] | 1 | CCC[C@H](N)C(=O)N1CCO[C@@](c2cccc(Br)c2)C1 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | ] |
<|startoftext|><L>CCC[C@H](N)C(=O)<mask_1:2>CO[C@@H](c2cccc(Br)c2)C1<mask_1:2> | 3 | 16 | 2 | N1C | 2 | CCC[C@H](N)C(=O)N1CO[C@@H](c2cccc(Br)c2)C1 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | N1 |
<|startoftext|><L>CCC[C@H](N)C(=O)N1<mask_1:4>CO[C@@H](c2cccc(Br)c2)C1<mask_1:4> | 1 | 18 | 4 | C | 4 | CCC[C@H](N)C(=O)N1CCCCCO[C@@H](c2cccc(Br)c2)C1 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | CCCC |
<|startoftext|><L>CCC[C@H](N)<mask_1:4>1CCO[C@@H](c2cccc(Br)c2)C1<mask_1:4> | 6 | 11 | 4 | C(=O)N | 4 | CCC[C@H](N)CCCN1CCO[C@@H](c2cccc(Br)c2)C1 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | CCCN |
<|startoftext|><L>CCC[C@H](N)C(=O)N1CC<mask_1:4>[C@@H](c2cccc(Br)c2)C1<mask_1:4> | 1 | 20 | 4 | O | 4 | CCC[C@H](N)C(=O)N1CC(=O)[C@@H](c2cccc(Br)c2)C1 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | (=O) |
<|startoftext|><L>CCC[C@H](N)C(=O)N1CCO<mask_1:4>(c2cccc(Br)c2)C1<mask_1:4> | 6 | 21 | 4 | [C@@H] | 4 | CCC[C@H](N)C(=O)N1CCO[C@](c2cccc(Br)c2)C1 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | [C@] |
<|startoftext|><L><mask_1:4>C[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1<mask_1:4> | 2 | 0 | 4 | CC | 4 | COCCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | COCC |
<|startoftext|><L>CCC[C@H](N)<mask_1:5>)N1CCO[C@@H](c2cccc(Br)c2)C1<mask_1:5> | 4 | 11 | 5 | C(=O | 5 | CCC[C@H](N)CC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | CCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 | CC(=O |
<|startoftext|><L>O=C(NC(<mask_1:6>Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1<mask_1:6> | 3 | 7 | 6 | =S) | 6 | O=C(NC(=S)NCCNc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | =S)NCC |
<|startoftext|><L>O=C(NC(=S)N<mask_1:4>1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1<mask_1:4> | 9 | 11 | 4 | c1ccccc1N | 4 | O=C(NC(=S)NCCCN1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | CCCN |
<|startoftext|><L>O=C(NC(=S)Nc1ccccc<mask_1:4>CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1<mask_1:4> | 3 | 18 | 4 | 1N1 | 4 | O=C(NC(=S)Nc1ccccc1N1CCCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | 1N1C |
<|startoftext|><L>O=C(NC(=S<mask_1:4>Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1<mask_1:4> | 1 | 9 | 4 | ) | 4 | O=C(NC(=S)NCCNc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | )NCC |
<|startoftext|><L>O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc(<mask_1:1>[N+](=O)[O-])c1<mask_1:1> | 0 | 50 | 1 | 1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc(C[N+](=O)[O-])c1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | C |
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<|startoftext|><L>O=C(NC(=S)Nc1ccccc1N1CC<mask_1:5>=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1<mask_1:5> | 4 | 23 | 5 | N(C( | 5 | O=C(NC(=S)Nc1ccccc1N1CCN(CC(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | N(CC( |
<|startoftext|><L>O=C(NC<mask_1:4>1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1<mask_1:4> | 6 | 6 | 4 | (=S)Nc | 4 | O=C(NCCSCc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | CSCc |
<|startoftext|><L>O=C(NC(=S)Nc1ccccc1N1CCN(C<mask_1:5>c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1<mask_1:5> | 4 | 26 | 5 | (=O) | 5 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | (=O)C |
<|startoftext|><L>O=C(<mask_1:5>ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1<mask_1:5> | 9 | 4 | 5 | NC(=S)Nc1 | 5 | O=C(NCCc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | NCCc1 |
<|startoftext|><L>O=C(NC(=S)N<mask_1:2>N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1<mask_1:2> | 8 | 11 | 2 | c1ccccc1 | 2 | O=C(NC(=S)NCCN1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 | CC |