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stringlengths 49
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| first_mask_count
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| first_start_index
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| first_mask_gen_count
int64 1
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stringlengths 0
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| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 12
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| original_smiles
stringlengths 12
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<|startoftext|><L>CCN(CC)CCSc1nnc2c3ccccc3n(CCc3cc<mask_1:6>cc3)c2n1<mask_1:6> | 1 | 32 | 6 | c | 6 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccc(C#N)cc3)c2n1 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | c(C#N) |
<|startoftext|><L>C<mask_1:1>CN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1<mask_1:1> | 0 | 1 | 1 | 1 | CCCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | C |
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<|startoftext|><L>CCN(C<mask_1:3>c1nnc2c3ccccc3n(CCc3ccccc3)c2n1<mask_1:3> | 5 | 5 | 3 | C)CCS | 3 | CCN(CC)Cc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | C)C |
<|startoftext|><L>CCN(CC)CC<mask_1:6>Sc1nnc2c3ccccc3n(CCc3ccccc3)c2n1<mask_1:6> | 0 | 9 | 6 | 6 | CCN(CC)CCNC(=O)Sc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | NC(=O) |
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<|startoftext|><L>CCN<mask_1:1>CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1<mask_1:1> | 5 | 3 | 1 | (CC)C | 1 | CCNCCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | C |
<|startoftext|><L>CCN(CC)CCSc1nnc2c3cccc<mask_1:4>c3ccccc3)c2n1<mask_1:4> | 6 | 22 | 4 | c3n(CC | 4 | CCN(CC)CCSc1nnc2c3ccccc3n(c3ccccc3)c2n1 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | c3n( |
<|startoftext|><L>CCN(<mask_1:6>CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1<mask_1:6> | 3 | 4 | 6 | CC) | 6 | CCN(CC)CCNCCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | CC)CCN |
<|startoftext|><L>CCN(CC)CCSc1nnc2c3ccccc3n<mask_1:6>c3ccccc3)c2n1<mask_1:6> | 3 | 25 | 6 | (CC | 6 | CCN(CC)CCSc1nnc2c3ccccc3n(CC(C)c3ccccc3)c2n1 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | (CC(C) |
<|startoftext|><L>CCN(CC)CCSc1nnc2c3ccccc<mask_1:6>CCc3ccccc3)c2n1<mask_1:6> | 3 | 23 | 6 | 3n( | 6 | CCN(CC)CCSc1nnc2c3ccccc3n(CCNCCc3ccccc3)c2n1 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | 3n(CCN |
<|startoftext|><L>CCN(CC)CC<mask_1:2>c1nnc2c3ccccc3n(CCc3ccccc3)c2n1<mask_1:2> | 1 | 9 | 2 | S | 2 | CCN(CC)CCNCc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 | NC |
<|startoftext|><L>OCCNC1CCN(c2ccc(-c3cc<mask_1:5>cc3Cl)nn2)CC1<mask_1:5> | 1 | 21 | 5 | c | 5 | OCCNC1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | c(Cl) |
<|startoftext|><L>OCCNC1CCN(c2ccc(-c3cccc<mask_1:5>Cl)nn2)CC1<mask_1:5> | 2 | 23 | 5 | c3 | 5 | OCCNC1CCN(c2ccc(-c3cccc(F)c3Cl)nn2)CC1 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | (F)c3 |
<|startoftext|><L>OCCNC1CCN(<mask_1:3>ccc(-c3ccccc3Cl)nn2)CC1<mask_1:3> | 2 | 10 | 3 | c2 | 3 | OCCNC1CCN(Cc2ccc(-c3ccccc3Cl)nn2)CC1 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | Cc2 |
<|startoftext|><L>OCCNC1CCN(c2ccc(-c3ccccc3Cl)n<mask_1:4>)CC1<mask_1:4> | 2 | 29 | 4 | n2 | 4 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nc2Cl)CC1 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | c2Cl |
<|startoftext|><L><mask_1:1>NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1<mask_1:1> | 3 | 0 | 1 | OCC | 1 | CNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | C |
<|startoftext|><L>OCCNC1CCN(c2c<mask_1:4>(-c3ccccc3Cl)nn2)CC1<mask_1:4> | 2 | 13 | 4 | cc | 4 | OCCNC1CCN(c2cc(O)(-c3ccccc3Cl)nn2)CC1 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | c(O) |
<|startoftext|><L>OCCNC1CCN(c2ccc(-c<mask_1:2>ccc3Cl)nn2)CC1<mask_1:2> | 3 | 18 | 2 | 3cc | 2 | OCCNC1CCN(c2ccc(-c3sccc3Cl)nn2)CC1 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | 3s |
<|startoftext|><L>OCCNC1CCN(c2ccc(<mask_1:4>ccc3Cl)nn2)CC1<mask_1:4> | 5 | 16 | 4 | -c3cc | 4 | OCCNC1CCN(c2ccc(-n3nccc3Cl)nn2)CC1 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | -n3n |
<|startoftext|><L>OC<mask_1:2>CNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1<mask_1:2> | 0 | 2 | 2 | 2 | OCCCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | CC |
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<|startoftext|><L>OCCNC1CCN(c2c<mask_1:4>-c3ccccc3Cl)nn2)CC1<mask_1:4> | 3 | 13 | 4 | cc( | 4 | OCCNC1CCN(c2ccc(N-c3ccccc3Cl)nn2)CC1 | OCCNC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 | cc(N |
<|startoftext|><L>CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3<mask_1:4>C1<mask_1:4> | 3 | 36 | 4 | n2) | 4 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)CC1 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | n2)C |
<|startoftext|><L>CCN1CC[C@@H](n2cc<mask_1:6>-c2ccc3cccc(F)c3n2)C1<mask_1:6> | 3 | 17 | 6 | nc2 | 6 | CCN1CC[C@@H](n2ccnc2)c(-c2ccc3cccc(F)c3n2)C1 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | nc2)c( |
<|startoftext|><L>CCN1CC[C@@<mask_1:4>cnc2-c2ccc3cccc(F)c3n2)C1<mask_1:4> | 6 | 10 | 4 | H](n2c | 4 | CCN1CC[C@@]2(ccnc2-c2ccc3cccc(F)c3n2)C1 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | ]2(c |
<|startoftext|><L>CCN1CC[C@@H](n2cc<mask_1:1>2-c2ccc3cccc(F)c3n2)C1<mask_1:1> | 2 | 17 | 1 | nc | 1 | CCN1CC[C@@H](n2ccn2-c2ccc3cccc(F)c3n2)C1 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | n |
<|startoftext|><L>CC<mask_1:1>C[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1<mask_1:1> | 3 | 2 | 1 | N1C | 1 | CC1C[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | 1 |
<|startoftext|><L>CCN1CC[C@@H](n2ccnc2-c2ccc<mask_1:6>cc(F)c3n2)C1<mask_1:6> | 3 | 26 | 6 | 3cc | 6 | CCN1CC[C@@H](n2ccnc2-c2ccc3cc(F)cc(F)c3n2)C1 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | 3cc(F) |
<|startoftext|><L>CCN1CC[C@<mask_1:3>n2ccnc2-c2ccc3cccc(F)c3n2)C1<mask_1:3> | 4 | 9 | 3 | @H]( | 3 | CCN1CC[C@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | H]( |
<|startoftext|><L>CCN1CC<mask_1:3>C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1<mask_1:3> | 1 | 6 | 3 | [ | 3 | CCN1CCCC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | CC[ |
<|startoftext|><L>CCN1CC<mask_1:4>@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1<mask_1:4> | 2 | 6 | 4 | [C | 4 | CCN1CCCC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | CC[C |
<|startoftext|><L>CCN1CC[<mask_1:3>(n2ccnc2-c2ccc3cccc(F)c3n2)C1<mask_1:3> | 5 | 7 | 3 | C@@H] | 3 | CCN1CC[C@](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | CCN1CC[C@@H](n2ccnc2-c2ccc3cccc(F)c3n2)C1 | C@] |
<|startoftext|><L>Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4<mask_1:8>4CCOCC4)c23)cc1<mask_1:8> | 7 | 36 | 8 | CCOC4)N | 7 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | CCOC4)N |
<|startoftext|><L>Clc1ccc(-<mask_1:8>2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1<mask_1:8> | 1 | 9 | 8 | c | 8 | Clc1ccc(-n2nnnc2c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | n2nnnc2c |
<|startoftext|><L>Clc1cc<mask_1:8>2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1<mask_1:8> | 4 | 6 | 8 | c(-c | 8 | Clc1ccc(C(=S)c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | c(C(=S)c |
<|startoftext|><L>Clc1ccc(-c2csc3ncnc<mask_1:6>C[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1<mask_1:6> | 2 | 19 | 6 | (N | 6 | Clc1ccc(-c2csc3ncnc(NCCCNC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | (NCCCN |
<|startoftext|><L>Clc1ccc(-c2csc3ncnc(NC[C@@H]<mask_1:5>]4CCOC4)N4CCOCC4)c23)cc1<mask_1:5> | 6 | 28 | 5 | ([C@@H | 5 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@H]4CCOC4)N4CCOCC4)c23)cc1 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | ([C@H |
<|startoftext|><L>Clc1ccc(<mask_1:7>csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1<mask_1:7> | 3 | 8 | 7 | -c2 | 7 | Clc1ccc(C(=S)c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | C(=S)c2 |
<|startoftext|><L>Clc1ccc(-c2csc3ncnc(NC<mask_1:3>]([C@@H]4CCOC4)N4CCOCC4)c23)cc1<mask_1:3> | 5 | 22 | 3 | [C@@H | 3 | Clc1ccc(-c2csc3ncnc(NC[C@]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | [C@ |
<|startoftext|><L>Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N<mask_1:3>COCC4)c23)cc1<mask_1:3> | 2 | 43 | 3 | 4C | 3 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCCOCC4)c23)cc1 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | 4CC |
<|startoftext|><L>Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)<mask_1:5>C4)c23)cc1<mask_1:5> | 6 | 42 | 5 | N4CCOC | 5 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCCC4)c23)cc1 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | N4CCC |
<|startoftext|><L><mask_1:5>ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1<mask_1:5> | 4 | 0 | 5 | Clc1 | 5 | N#Cc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | Clc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 | N#Cc1 |
<|startoftext|><L>CC(=O)<mask_1:7>c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1<mask_1:7> | 0 | 6 | 7 | 7 | CC(=O)NCC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | NCC(=O) |
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<|startoftext|><L>CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2<mask_1:3>C)c1<mask_1:3> | 6 | 37 | 3 | CC2)n( | 3 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2C)c1 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | CC2 |
<|startoftext|><L>CC(=O)c1cc(C(=O)N(Cc2ccc(C(<mask_1:4>C)cc2)C2CC2)n(C)c1<mask_1:4> | 2 | 27 | 4 | C) | 4 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(=O)OC)cc2)C2CC2)n(C)c1 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | =O)O |
<|startoftext|><L>CC<mask_1:7>1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1<mask_1:7> | 5 | 2 | 7 | (=O)c | 7 | CCOC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | OC(=O)c |
<|startoftext|><L>CC(=<mask_1:4>c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1<mask_1:4> | 2 | 4 | 4 | O) | 4 | CC(=O)NCc1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | O)NC |
<|startoftext|><L>CC(=O)c1cc(C(=O)N(C<mask_1:5>ccc(C(C)C)cc2)C2CC2)n(C)c1<mask_1:5> | 2 | 19 | 5 | c2 | 5 | CC(=O)c1cc(C(=O)N(C)C(c2ccc(C(C)C)cc2)C2CC2)n(C)c1 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | )C(c2 |
<|startoftext|><L>CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n<mask_1:5>C)c1<mask_1:5> | 1 | 42 | 5 | ( | 5 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C(C)C)c1 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | (C(C) |
<|startoftext|><L>CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C<mask_1:2>CC2)n(C)c1<mask_1:2> | 1 | 36 | 2 | 2 | 2 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CCC2)n(C)c1 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | 2C |
<|startoftext|><L>CC(=O)c1cc(C(=O)N(Cc2ccc(C<mask_1:6>C)C)cc2)C2CC2)n(C)c1<mask_1:6> | 1 | 26 | 6 | ( | 6 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(=O)N(C)C)cc2)C2CC2)n(C)c1 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | (=O)N( |
<|startoftext|><L>CC(=O)c1cc(C(=O<mask_1:6>)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1<mask_1:6> | 0 | 15 | 6 | 6 | CC(=O)c1cc(C(=O)NC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | CC(=O)c1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)n(C)c1 | )NC(=O |
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<|startoftext|><L>CC(C)Cc1cc(C(=O)N2C<mask_1:6>C(=O)c3ccoc3)CC2)on1<mask_1:6> | 4 | 19 | 6 | CCN( | 6 | CC(C)Cc1cc(C(=O)N2CCC(CCNC(=O)c3ccoc3)CC2)on1 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | CC(CCN |
<|startoftext|><L>CC(C)Cc1cc(C(=O)N2CCCN(C(<mask_1:6>O)c3ccoc3)CC2)on1<mask_1:6> | 1 | 25 | 6 | = | 6 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)C(=O)c3ccoc3)CC2)on1 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | =O)C(= |
<|startoftext|><L>CC(C)Cc1cc(C(=O)N2C<mask_1:1>CCN(C(=O)c3ccoc3)CC2)on1<mask_1:1> | 0 | 19 | 1 | 1 | CC(C)Cc1cc(C(=O)N2CCCCN(C(=O)c3ccoc3)CC2)on1 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | C |
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<|startoftext|><L>CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)C<mask_1:2>1<mask_1:2> | 5 | 37 | 2 | C2)on | 3 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)C2)n1 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | 2)n |
<|startoftext|><L>CC(C)Cc1cc(C<mask_1:4>CCCN(C(=O)c3ccoc3)CC2)on1<mask_1:4> | 6 | 12 | 4 | (=O)N2 | 4 | CC(C)Cc1cc(C2(O)CCCN(C(=O)c3ccoc3)CC2)on1 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | 2(O) |
<|startoftext|><L>CC(C)Cc1cc(<mask_1:3>(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1<mask_1:3> | 1 | 11 | 3 | C | 3 | CC(C)Cc1cc(CNC(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | CNC |
<|startoftext|><L>C<mask_1:2>1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1<mask_1:2> | 6 | 1 | 2 | C(C)Cc | 2 | CCc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | Cc |
<|startoftext|><L>CC(C)Cc1cc(C(=O<mask_1:6>CCCN(C(=O)c3ccoc3)CC2)on1<mask_1:6> | 3 | 15 | 6 | )N2 | 6 | CC(C)Cc1cc(C(=O)NCCN2CCCN(C(=O)c3ccoc3)CC2)on1 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | )NCCN2 |
<|startoftext|><L>CC(C)Cc1cc(C(=O<mask_1:6>)N2CCCN(C(=O)c3ccoc3)CC2)on1<mask_1:6> | 0 | 15 | 6 | 6 | CC(C)Cc1cc(C(=O)CC(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | )CC(=O |
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<|startoftext|><L>CC(C)Cc1cc(C(=O)N2CCCN(<mask_1:1>c3ccoc3)CC2)on1<mask_1:1> | 5 | 23 | 1 | C(=O) | 1 | CC(C)Cc1cc(C(=O)N2CCCN(Cc3ccoc3)CC2)on1 | CC(C)Cc1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)on1 | C |
<|startoftext|><L>CCn1nc(C(C)C)cc1C(=O)N1CCC[<mask_1:2>H](Nc2ccc(F)c(F)c2)C1<mask_1:2> | 3 | 27 | 2 | C@@ | 2 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | C@ |
<|startoftext|><L>CCn1nc(C<mask_1:7>)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1<mask_1:7> | 2 | 8 | 7 | (C | 7 | CCn1nc(C(=O)N(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | (=O)N(C |
<|startoftext|><L>CCn1nc(C(C)C)cc1C(=O)N1CCC<mask_1:7>@H](Nc2ccc(F)c(F)c2)C1<mask_1:7> | 3 | 26 | 7 | [C@ | 7 | CCn1nc(C(C)C)cc1C(=O)N1CCCN(C)[C@@H](Nc2ccc(F)c(F)c2)C1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | N(C)[C@ |
<|startoftext|><L>CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc<mask_1:6>c2)C1<mask_1:6> | 7 | 39 | 6 | (F)c(F) | 6 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cc2)C1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | (C#N)c |
<|startoftext|><L>CCn1nc(C(C)<mask_1:7>C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1<mask_1:7> | 5 | 11 | 7 | C)cc1 | 7 | CCn1nc(C(C)C)cc1CNC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | C)cc1CN |
<|startoftext|><L>CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]<mask_1:1>c2ccc(F)c(F)c2)C1<mask_1:1> | 2 | 32 | 1 | (N | 1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | ( |
<|startoftext|><L>CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@<mask_1:7>c2ccc(F)c(F)c2)C1<mask_1:7> | 4 | 30 | 7 | H](N | 7 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@](CO)(Cc2ccc(F)c(F)c2)C1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | ](CO)(C |
<|startoftext|><L>CCn1nc(C(C)C)cc1C(=O)N1CCC[C@<mask_1:4>2ccc(F)c(F)c2)C1<mask_1:4> | 6 | 29 | 4 | @H](Nc | 4 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | H](c |
<|startoftext|><L>CCn1nc(C(C)C)c<mask_1:5>c1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1<mask_1:5> | 0 | 14 | 5 | 5 | CCn1nc(C(C)C)c(C#N)c1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | (C#N) |
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<|startoftext|><L>CCn1nc(C(C)C)c<mask_1:6>=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1<mask_1:6> | 4 | 14 | 6 | c1C( | 6 | CCn1nc(C(C)C)cc1CNC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 | c1CNC( |
<|startoftext|><L>CCN(CC)C<mask_1:1>C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1<mask_1:1> | 5 | 8 | 1 | (=O)[ | 1 | CCN(CC)C[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | [ |
<|startoftext|><L>CCN(CC)C(=O<mask_1:7>)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1<mask_1:7> | 0 | 11 | 7 | 7 | CCN(CC)C(=O)CNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | )CNC(=O |
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<|startoftext|><L>CCN(CC)C(=O)[C@@H]1C[C@@H]<mask_1:4>NC(=O)c2cccs2)CN1CC1CCCC1<mask_1:4> | 1 | 26 | 4 | ( | 4 | CCN(CC)C(=O)[C@@H]1C[C@@H](NCCNC(=O)c2cccs2)CN1CC1CCCC1 | CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | (NCC |
<|startoftext|><L>CCN(CC<mask_1:3>[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1<mask_1:3> | 6 | 6 | 3 | )C(=O) | 3 | CCN(CC)CC[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | )CC |
<|startoftext|><L>CCN(CC)C(=O)[C@@H]1C[C@@H]<mask_1:2>c2cccs2)CN1CC1CCCC1<mask_1:2> | 7 | 26 | 2 | (NC(=O) | 2 | CCN(CC)C(=O)[C@@H]1C[C@@H](Oc2cccs2)CN1CC1CCCC1 | CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | (O |
<|startoftext|><L>C<mask_1:4>(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1<mask_1:4> | 7 | 1 | 4 | CN(CC)C | 4 | CCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | CCNC |
<|startoftext|><L>CCN(CC)C(=O)[C@@H]1C[C@@H](<mask_1:5>=O)c2cccs2)CN1CC1CCCC1<mask_1:5> | 3 | 27 | 5 | NC( | 4 | CCN(CC)C(=O)[C@@H]1C[C@@H](CNC(=O)c2cccs2)CN1CC1CCCC1 | CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | CNC( |
<|startoftext|><L>CCN(CC)C(=O<mask_1:3>1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1<mask_1:3> | 7 | 11 | 3 | )[C@@H] | 3 | CCN(CC)C(=O)CN1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | )CN |
<|startoftext|><L>CCN(CC)C(=O)[C@@H]1C[C@@H](N<mask_1:2>)c2cccs2)CN1CC1CCCC1<mask_1:2> | 4 | 28 | 2 | C(=O | 2 | CCN(CC)C(=O)[C@@H]1C[C@@H](N(C)c2cccs2)CN1CC1CCCC1 | CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | (C |
<|startoftext|><L>CCN(CC)C(=O)<mask_1:3>H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1<mask_1:3> | 4 | 12 | 3 | [C@@ | 3 | CCN(CC)C(=O)[C@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CC1CCCC1 | [C@ |
<|startoftext|><L>CN(CCc<mask_1:6>cn1)C(=O)c1cc(COc2c(F)cccc2F)on1<mask_1:6> | 4 | 6 | 6 | 1ccc | 6 | CN(CCc1c[nH]cn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | 1c[nH] |
<|startoftext|><L>CN(CCc1ccccn1)C(=O)c1cc(COc2c(<mask_1:3>c2F)on1<mask_1:3> | 5 | 30 | 3 | F)ccc | 3 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cc2F)on1 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | F)c |
<|startoftext|><L>CN(CC<mask_1:6>1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1<mask_1:6> | 1 | 5 | 6 | c | 6 | CN(CC(=O)Nc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | (=O)Nc |
<|startoftext|><L>CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc<mask_1:2>on1<mask_1:2> | 3 | 36 | 2 | 2F) | 2 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2)on1 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | 2) |
<|startoftext|><L>CN(CCc1ccccn1)C(=<mask_1:4>c1cc(COc2c(F)cccc2F)on1<mask_1:4> | 2 | 17 | 4 | O) | 4 | CN(CCc1ccccn1)C(=O)NCc1cc(COc2c(F)cccc2F)on1 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | O)NC |
<|startoftext|><L>C<mask_1:2>c1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1<mask_1:2> | 4 | 1 | 2 | N(CC | 2 | CN(c1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | N( |
<|startoftext|><L>CN(CC<mask_1:4>1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1<mask_1:4> | 1 | 5 | 4 | c | 4 | CN(CCCNCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | CNCc |
<|startoftext|><L>C<mask_1:6>c1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1<mask_1:6> | 4 | 1 | 6 | N(CC | 6 | CC(C)N(c1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | C(C)N( |
<|startoftext|><L>CN(CCc1ccccn1)C(=O)c1cc<mask_1:3>Oc2c(F)cccc2F)on1<mask_1:3> | 2 | 23 | 3 | (C | 3 | CN(CCc1ccccn1)C(=O)c1cc(CCOc2c(F)cccc2F)on1 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | (CC |
<|startoftext|><L>CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)<mask_1:5>n1<mask_1:5> | 1 | 39 | 5 | o | 5 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)nc(N)n1 | CN(CCc1ccccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 | nc(N) |
<|startoftext|><L>CC(<mask_1:1>)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1<mask_1:1> | 2 | 3 | 1 | =O | 1 | CC(C)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | CC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | C |
<|startoftext|><L><mask_1:4>=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1<mask_1:4> | 3 | 0 | 4 | CC( | 4 | COC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | CC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | COC( |
<|startoftext|><L>CC(=O)c1ccc(OC<mask_1:4>=O)Cn2cnc3ccc(Br)cc3c2=O)cc1<mask_1:4> | 1 | 14 | 4 | ( | 4 | CC(=O)c1ccc(OCCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | CC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | CNC( |
<|startoftext|><L>CC(=O)c1ccc(OC(=O)Cn2cn<mask_1:5>c3ccc(Br)cc3c2=O)cc1<mask_1:5> | 0 | 23 | 5 | 5 | CC(=O)c1ccc(OC(=O)Cn2cnc(=O)c3ccc(Br)cc3c2=O)cc1 | CC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | c(=O) |
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<|startoftext|><L>CC(=O)c<mask_1:6>cc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1<mask_1:6> | 2 | 7 | 6 | 1c | 6 | CC(=O)c1c(Cl)cc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | CC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | 1c(Cl) |
<|startoftext|><L>CC(=O)c1cc<mask_1:3>(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1<mask_1:3> | 4 | 10 | 3 | c(OC | 3 | CC(=O)c1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | CC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | c(C |
<|startoftext|><L>CC(=O)c1<mask_1:4>C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1<mask_1:4> | 5 | 8 | 4 | ccc(O | 4 | CC(=O)c1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | CC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | ccc( |
<|startoftext|><L>CC(=<mask_1:4>c(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1<mask_1:4> | 6 | 4 | 4 | O)c1cc | 4 | CC(=O)c1c(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | CC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | O)c1 |
<|startoftext|><L>CC(=O)c1ccc(OC(=O)Cn2cnc3cc<mask_1:6>)cc3c2=O)cc1<mask_1:6> | 4 | 27 | 6 | c(Br | 6 | CC(=O)c1ccc(OC(=O)Cn2cnc3cc(C)c(C)cc3c2=O)cc1 | CC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | (C)c(C |
<|startoftext|><L>CC(=O)c1ccc(OC(=<mask_1:5>Cn2cnc3ccc(Br)cc3c2=O)cc1<mask_1:5> | 2 | 16 | 5 | O) | 5 | CC(=O)c1ccc(OC(=O)CCCCn2cnc3ccc(Br)cc3c2=O)cc1 | CC(=O)c1ccc(OC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 | O)CCC |