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stringlengths 46
199
| first_mask_count
int64 0
16
| first_start_index
int64 0
132
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 9
173
| original_smiles
stringlengths 9
162
| generated_tokens
stringlengths 0
18
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>CCNC(=O)N1CC[C@@<mask_1:5>](NC(=O)N2CCC[C@H]2C2CCC2)C1<mask_1:5> | 1 | 16 | 5 | H | 5 | CCNC(=O)N1CC[C@@H][C@](NC(=O)N2CCC[C@H]2C2CCC2)C1 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | H][C@ |
<|startoftext|><L>CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H<mask_1:6>2CCC2)C1<mask_1:6> | 3 | 34 | 6 | ]2C | 6 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2CCOC2CCC2)C1 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | ]2CCOC |
<|startoftext|><L>CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CC<mask_1:4>)C1<mask_1:4> | 2 | 40 | 4 | C2 | 4 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCCCC2)C1 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | CCC2 |
<|startoftext|><L>CCNC(=O)N1CC[<mask_1:5>NC(=O)N2CCC[C@H]2C2CCC2)C1<mask_1:5> | 6 | 13 | 5 | C@@H]( | 5 | CCNC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | C@H]( |
<|startoftext|><L>CCNC(=<mask_1:4>[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1<mask_1:4> | 6 | 6 | 4 | O)N1CC | 4 | CCNC(=O)C1[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | O)C1 |
<|startoftext|><L>CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2<mask_1:6>)C1<mask_1:6> | 0 | 42 | 6 | 6 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)CC(=O)C1 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | )CC(=O |
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<|startoftext|><L>CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CC<mask_1:5>C2)C1<mask_1:5> | 0 | 40 | 5 | 5 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC(OC)C2)C1 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | C(OC) |
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<|startoftext|><L>CCNC(=O)N1CC[C<mask_1:1>](NC(=O)N2CCC[C@H]2C2CCC2)C1<mask_1:1> | 3 | 14 | 1 | @@H | 1 | CCNC(=O)N1CC[CH](NC(=O)N2CCC[C@H]2C2CCC2)C1 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | H |
<|startoftext|><L>CCNC(=O)N1CC[C@@H<mask_1:3>(=O)N2CCC[C@H]2C2CCC2)C1<mask_1:3> | 4 | 17 | 3 | ](NC | 3 | CCNC(=O)N1CC[C@@H](C(=O)N2CCC[C@H]2C2CCC2)C1 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | ](C |
<|startoftext|><L>CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]<mask_1:4>C2CCC2)C1<mask_1:4> | 1 | 35 | 4 | 2 | 4 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C#CC2CCC2)C1 | CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 | 2C#C |
<|startoftext|><L>CC(C)CCC[C@@H]1CN(C(=O)c2c<mask_1:3>n([C@H]3CC[C@@H](N)CC3)nn2)CCO1<mask_1:3> | 0 | 26 | 3 | 3 | CC(C)CCC[C@@H]1CN(C(=O)c2c(O)n([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | (O) |
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<|startoftext|><L>CC(C)CCC[C@@H]1CN(C(=O)c2cn([C<mask_1:5>CC[C@@H](N)CC3)nn2)CCO1<mask_1:5> | 4 | 30 | 5 | @H]3 | 5 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[C@@H](N)CC3)nn2)CCO1 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | @H]3C |
<|startoftext|><L>CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@<mask_1:5>C[C@@H](N)CC3)nn2)CCO1<mask_1:5> | 4 | 31 | 5 | H]3C | 5 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[C@@H](N)CC3)nn2)CCO1 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | H]3CC |
<|startoftext|><L>CC(C)CCC[C@@H]1CN(C(=O)<mask_1:8>n([C@H]3CC[C@@H](N)CC3)nn2)CCO1<mask_1:8> | 3 | 23 | 8 | c2c | 8 | CC(C)CCC[C@@H]1CN(C(=O)c2cc(=O)n([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | c2cc(=O) |
<|startoftext|><L>CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]<mask_1:6>](N)CC3)nn2)CCO1<mask_1:6> | 8 | 33 | 6 | 3CC[C@@H | 6 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3C[C@H](N)CC3)nn2)CCO1 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | 3C[C@H |
<|startoftext|><L>CC(C)CCC[C@@H]1CN(C(<mask_1:4>)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1<mask_1:4> | 2 | 20 | 4 | =O | 4 | CC(C)CCC[C@@H]1CN(C(C)(C)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | C)(C |
<|startoftext|><L>CC(C)CCC[C@@H]1CN(C(=<mask_1:8>[C@H]3CC[C@@H](N)CC3)nn2)CCO1<mask_1:8> | 7 | 21 | 8 | O)c2cn( | 8 | CC(C)CCC[C@@H]1CN(C(=O)c2cn(C[C@H]3CC[C@@H](N)CC3)nn2)CCO1 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | O)c2cn(C |
<|startoftext|><L>CC(C)CCC<mask_1:3>C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1<mask_1:3> | 1 | 8 | 3 | [ | 3 | CC(C)CCCOC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | OC[ |
<|startoftext|><L>CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC<mask_1:4>@@H](N)CC3)nn2)CCO1<mask_1:4> | 2 | 36 | 4 | [C | 4 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CCCC[C@@H](N)CC3)nn2)CCO1 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | CC[C |
<|startoftext|><L>CC(C)CCC[C@@H]1CN(C(=O)c2cn<mask_1:5>@H]3CC[C@@H](N)CC3)nn2)CCO1<mask_1:5> | 3 | 27 | 5 | ([C | 5 | CC(C)CCC[C@@H]1CN(C(=O)c2cn(C[C@@H]3CC[C@@H](N)CC3)nn2)CCO1 | CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)CCO1 | (C[C@ |
<|startoftext|><L>CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(<mask_1:5>OC)c1OC<mask_1:5> | 0 | 52 | 5 | 5 | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(C(=O)OC)c1OC | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | C(=O) |
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<|startoftext|><L>CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(<mask_1:2>c(OC)c1OC<mask_1:2> | 3 | 47 | 2 | OC) | 2 | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1OC | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | O) |
<|startoftext|><L>C<mask_1:7>C(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC<mask_1:7> | 5 | 1 | 7 | CSCCO | 7 | CCOC(=O)C(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | COC(=O) |
<|startoftext|><L>CCSCCOC(=O)C1=C(C)NC2=<mask_1:6>(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC<mask_1:6> | 1 | 22 | 6 | C | 6 | CCSCCOC(=O)C1=C(C)NC2=C(C)NC(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | C(C)NC |
<|startoftext|><L>CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC<mask_1:5>(OC)c1OC<mask_1:5> | 2 | 49 | 5 | )c | 5 | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCC#N)c(OC)c1OC | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | C#N)c |
<|startoftext|><L>CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc<mask_1:2>OC)c(OC)c1OC<mask_1:2> | 1 | 46 | 2 | ( | 2 | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(COC)c(OC)c1OC | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | (C |
<|startoftext|><L>C<mask_1:6>CSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC<mask_1:6> | 0 | 1 | 6 | 6 | COC(=O)CSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | OC(=O) |
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<|startoftext|><L>CCSCCOC(=O)C1=C(C)NC2=C(C<mask_1:3>=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC<mask_1:3> | 1 | 25 | 3 | ( | 3 | CCSCCOC(=O)C1=C(C)NC2=C(CCC(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | CC( |
<|startoftext|><L>CCSCCOC(=O)C1=C(C)N<mask_1:7>(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC<mask_1:7> | 6 | 19 | 7 | C2=C(C | 7 | CCSCCOC(=O)C1=C(C)NC2=C(NC(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | C2=C(NC |
<|startoftext|><L>CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@<mask_1:1>1c1ccc(OC)c(OC)c1OC<mask_1:1> | 2 | 38 | 1 | H] | 1 | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@]1c1ccc(OC)c(OC)c1OC | CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC | ] |
<|startoftext|><L>COc1ccc(CCN<mask_1:2>2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1<mask_1:2> | 8 | 11 | 2 | (C[C@@H] | 2 | COc1ccc(CCN(C2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | (C |
<|startoftext|><L>COc1ccc(CCN(C[C@@H]2CCCO2)C<mask_1:4>)c2ccc3sc(=N)[nH]c3c2)cc1<mask_1:4> | 3 | 27 | 4 | (=O | 4 | COc1ccc(CCN(C[C@@H]2CCCO2)CC(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | C(=O |
<|startoftext|><L>COc1ccc(<mask_1:8>C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1<mask_1:8> | 4 | 8 | 8 | CCN( | 8 | COc1ccc(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | C(=O)CN( |
<|startoftext|><L>COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc<mask_1:1>c3c2)cc1<mask_1:1> | 8 | 39 | 1 | (=N)[nH] | 1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3scnc3c2)cc1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | n |
<|startoftext|><L>COc1ccc(CCN(C[C@@H]2CCCO2)C(=O<mask_1:4>2ccc3sc(=N)[nH]c3c2)cc1<mask_1:4> | 2 | 30 | 4 | )c | 4 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)CCc2ccc3sc(=N)[nH]c3c2)cc1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | )CCc |
<|startoftext|><L>COc1ccc(CCN(C[C@@H<mask_1:6>O2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1<mask_1:6> | 5 | 18 | 6 | ]2CCC | 6 | COc1ccc(CCN(C[C@@H]2CCCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | ]2CCCC |
<|startoftext|><L>COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c<mask_1:3>cc1<mask_1:3> | 2 | 50 | 3 | 2) | 3 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2C)cc1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | 2C) |
<|startoftext|><L>COc1ccc(CCN(C[C@@H]2CCCO2<mask_1:8>c2ccc3sc(=N)[nH]c3c2)cc1<mask_1:8> | 6 | 25 | 8 | )C(=O) | 8 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)COc2ccc3sc(=N)[nH]c3c2)cc1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | )C(=O)CO |
<|startoftext|><L>COc1ccc(CCN(C[C@@H]2CCC<mask_1:5>O)c2ccc3sc(=N)[nH]c3c2)cc1<mask_1:5> | 6 | 23 | 5 | O2)C(= | 6 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | O2)C(= |
<|startoftext|><L>COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cc<mask_1:6>[nH]c3c2)cc1<mask_1:6> | 8 | 35 | 6 | c3sc(=N) | 6 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3[nH][nH]c3c2)cc1 | COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 | c3[nH] |
<|startoftext|><L>Cc1ccc(C(=O)/C=C/Nc2ccccc<mask_1:3>)cc1C<mask_1:3> | 2 | 25 | 3 | 2C | 3 | Cc1ccc(C(=O)/C=C/Nc2ccccc2Br)cc1C | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | 2Br |
<|startoftext|><L>Cc1ccc(C(=O)/C=C/Nc2ccccc<mask_1:2>cc1C<mask_1:2> | 3 | 25 | 2 | 2C) | 2 | Cc1ccc(C(=O)/C=C/Nc2ccccc2)cc1C | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | 2) |
<|startoftext|><L>Cc1ccc(C(=O)/C=C/Nc2ccccc2C<mask_1:3>C<mask_1:3> | 4 | 27 | 3 | )cc1 | 3 | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)n1C | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | )n1 |
<|startoftext|><L>Cc1ccc(C(=O)/C=C/Nc2c<mask_1:3>cc2C)cc1C<mask_1:3> | 2 | 21 | 3 | cc | 3 | Cc1ccc(C(=O)/C=C/Nc2c(C)cc2C)cc1C | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | (C) |
<|startoftext|><L>Cc1ccc(C(=O)/C=C/Nc2ccccc2<mask_1:4>C)cc1C<mask_1:4> | 0 | 26 | 4 | 4 | Cc1ccc(C(=O)/C=C/Nc2ccccc2N(C)C)cc1C | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | N(C) |
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<|startoftext|><L>Cc1ccc(C(=O)/C=C/Nc2ccccc<mask_1:4>cc1C<mask_1:4> | 3 | 25 | 4 | 2C) | 4 | Cc1ccc(C(=O)/C=C/Nc2ccccc2Br)cc1C | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | 2Br) |
<|startoftext|><L>C<mask_1:2>1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C<mask_1:2> | 1 | 1 | 2 | c | 2 | COc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | Oc |
<|startoftext|><L>Cc1ccc(C(=O)/C=C/Nc2ccccc2C)<mask_1:1>1C<mask_1:1> | 2 | 28 | 1 | cc | 1 | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)n1C | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | n |
<|startoftext|><L>Cc1ccc(C(=O)/C=C/<mask_1:2>cccc2C)cc1C<mask_1:2> | 4 | 17 | 2 | Nc2c | 2 | Cc1ccc(C(=O)/C=C/n2cccc2C)cc1C | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | n2 |
<|startoftext|><L>Cc1ccc(C(=O)/C=C/N<mask_1:1>cccc2C)cc1C<mask_1:1> | 3 | 18 | 1 | c2c | 1 | Cc1ccc(C(=O)/C=C/N2cccc2C)cc1C | Cc1ccc(C(=O)/C=C/Nc2ccccc2C)cc1C | 2 |
<|startoftext|><L>CC(C)(C)OC(=O<mask_1:4>)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1<mask_1:4> | 0 | 13 | 4 | 4 | CC(C)(C)OC(=O)N(C)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | )N(C |
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<|startoftext|><L>CC(C)(C)OC(<mask_1:7>CN([C@H]2CC[C@@H](N)c3nccnc32)CC1<mask_1:7> | 6 | 11 | 7 | =O)N1C | 7 | CC(C)(C)OC(=O)NC1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | =O)NC1C |
<|startoftext|><L>CC(C)(<mask_1:2>O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1<mask_1:2> | 6 | 6 | 2 | C)OC(= | 2 | CC(C)(C=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | C= |
<|startoftext|><L>CC(C)(C)OC(=O)N<mask_1:6>N([C@H]2CC[C@@H](N)c3nccnc32)CC1<mask_1:6> | 3 | 15 | 6 | 1CC | 6 | CC(C)(C)OC(=O)NCCC1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | CCC1CC |
<|startoftext|><L>CC(C)(C)OC(=O)N1CCN([C@H]2CC[C<mask_1:6>c3nccnc32)CC1<mask_1:6> | 7 | 30 | 6 | @@H](N) | 6 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@H](N)c3nccnc32)CC1 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | @H](N) |
<|startoftext|><L>CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nc<mask_1:4>)CC1<mask_1:4> | 5 | 41 | 4 | cnc32 | 4 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3ncnn32)CC1 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | nn32 |
<|startoftext|><L>CC(C)(C)OC(=O)N1CCN([C@H]2CC<mask_1:4>@H](N)c3nccnc32)CC1<mask_1:4> | 3 | 28 | 4 | [C@ | 4 | CC(C)(C)OC(=O)N1CCN([C@H]2CCC[C@@H](N)c3nccnc32)CC1 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | C[C@ |
<|startoftext|><L>CC(C)(C<mask_1:5>)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1<mask_1:5> | 6 | 7 | 5 | )OC(=O | 5 | CC(C)(C)C(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | )C(=O |
<|startoftext|><L>CC(C)(C)<mask_1:3>1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1<mask_1:3> | 7 | 8 | 3 | OC(=O)N | 3 | CC(C)(C)NCC1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | NCC |
<|startoftext|><L>CC(C)(C)OC(=O)N1CC<mask_1:5>]2CC[C@@H](N)c3nccnc32)CC1<mask_1:5> | 6 | 18 | 5 | N([C@H | 5 | CC(C)(C)OC(=O)N1CCN([C@]2CC[C@@H](N)c3nccnc32)CC1 | CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](N)c3nccnc32)CC1 | N([C@ |
<|startoftext|><L>Cc1nnc<mask_1:5>CC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1<mask_1:5> | 2 | 6 | 5 | (S | 5 | Cc1nnc(N(C)CC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | (N(C) |
<|startoftext|><L>Cc1nnc(SCC<mask_1:4>)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1<mask_1:4> | 3 | 10 | 4 | (=O | 4 | Cc1nnc(SCCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | C(=O |
<|startoftext|><L>Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc<mask_1:3>C2=O)s1<mask_1:3> | 2 | 42 | 3 | 3) | 3 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)CC2=O)s1 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | 3)C |
<|startoftext|><L>Cc1nnc(SCC(=O<mask_1:5>)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1<mask_1:5> | 0 | 13 | 5 | 5 | Cc1nnc(SCC(=O)C(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | )C(=O |
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<|startoftext|><L>Cc1nnc(SCC(=O)NN2C(=O)NC(<mask_1:2>3ccccc3)(c3ccccc3)C2=O)s1<mask_1:2> | 1 | 25 | 2 | c | 2 | Cc1nnc(SCC(=O)NN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)s1 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | Cc |
<|startoftext|><L>Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccc<mask_1:6>c3)(c3ccccc3)C2=O)s1<mask_1:6> | 1 | 30 | 6 | c | 6 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccc(C#N)cc3)(c3ccccc3)C2=O)s1 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | (C#N)c |
<|startoftext|><L>Cc1nnc(SCC(=O)N<mask_1:5>N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1<mask_1:5> | 0 | 15 | 5 | 5 | Cc1nnc(SCC(=O)NC(=O)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | C(=O) |
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<|startoftext|><L>Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)<mask_1:7>ccc3)C2=O)s1<mask_1:7> | 5 | 34 | 7 | (c3cc | 7 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(CCc3ccccc3)C2=O)s1 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | (CCc3cc |
<|startoftext|><L>Cc1nnc(SCC(=<mask_1:7>(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1<mask_1:7> | 6 | 12 | 7 | O)NN2C | 7 | Cc1nnc(SCC(=O)CCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | O)CCN2C |
<|startoftext|><L>Cc1nnc(SCC(<mask_1:7>N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1<mask_1:7> | 4 | 11 | 7 | =O)N | 7 | Cc1nnc(SCC(=O)NCCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 | =O)NCCC |
<|startoftext|><L>O=C(N<mask_1:5>c1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br<mask_1:5> | 6 | 5 | 5 | c1cccc | 5 | O=C(Nc1ccsc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | c1ccs |
<|startoftext|><L>O=C(Nc1ccccc1)/C<mask_1:3>=C\c1ccccc1)NC(=O)c1ccccc1Br<mask_1:3> | 1 | 16 | 3 | ( | 3 | O=C(Nc1ccccc1)/C(=C=C\c1ccccc1)NC(=O)c1ccccc1Br | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | (=C |
<|startoftext|><L>O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1<mask_1:1>ccc1Br<mask_1:1> | 2 | 37 | 1 | cc | 1 | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1sccc1Br | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | s |
<|startoftext|><L>O=C(Nc1ccccc1)/<mask_1:6>\c1ccccc1)NC(=O)c1ccccc1Br<mask_1:6> | 4 | 15 | 6 | C(=C | 6 | O=C(Nc1ccccc1)/C(=N/N\c1ccccc1)NC(=O)c1ccccc1Br | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | C(=N/N |
<|startoftext|><L>O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)<mask_1:2>ccc1Br<mask_1:2> | 4 | 35 | 2 | c1cc | 2 | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc1Br | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | c1 |
<|startoftext|><L>O=C(Nc1ccccc<mask_1:4>C(=C\c1ccccc1)NC(=O)c1ccccc1Br<mask_1:4> | 3 | 12 | 4 | 1)/ | 4 | O=C(Nc1ccccc1F)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | 1F)/ |
<|startoftext|><L>O=C(<mask_1:6>Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br<mask_1:6> | 0 | 4 | 6 | 6 | O=C(NC(=S)Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | NC(=S) |
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<|startoftext|><L>O=C<mask_1:6>Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br<mask_1:6> | 1 | 3 | 6 | ( | 6 | O=C(C(=O)Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | (C(=O) |
<|startoftext|><L>O=C(Nc1ccccc1)/C(=C\c1ccc<mask_1:6>1)NC(=O)c1ccccc1Br<mask_1:6> | 2 | 25 | 6 | cc | 6 | O=C(Nc1ccccc1)/C(=C\c1cccc(Cl)c1)NC(=O)c1ccccc1Br | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | c(Cl)c |
<|startoftext|><L>O=C(Nc1cccc<mask_1:6>)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br<mask_1:6> | 2 | 11 | 6 | c1 | 6 | O=C(Nc1cccc(Cl)c1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br | (Cl)c1 |
<|startoftext|><L>COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C<mask_1:5>)O)cc1<mask_1:5> | 3 | 45 | 5 | (=O | 5 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)CCC(=O)O)cc1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | CC(=O |
<|startoftext|><L>COc1c<mask_1:5>@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1<mask_1:5> | 8 | 5 | 5 | cc(CCN[C | 5 | COc1ccc([C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | cc([C |
<|startoftext|><L>COc1ccc(CCN[C<mask_1:5>=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1<mask_1:5> | 8 | 13 | 5 | @@H](CC( | 5 | COc1ccc(CCN[CH](C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | H](C( |
<|startoftext|><L>COc1ccc(CCN[C@@H](<mask_1:1>c2cccc(C(F)(F)F)c2)C(=O)O)cc1<mask_1:1> | 7 | 18 | 1 | CC(=O)N | 1 | COc1ccc(CCN[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | C |
<|startoftext|><L>COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)<mask_1:5>=O)O)cc1<mask_1:5> | 7 | 39 | 5 | F)c2)C( | 5 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2C=O)O)cc1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | F)c2C |
<|startoftext|><L>COc1ccc(<mask_1:3>@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1<mask_1:3> | 5 | 8 | 3 | CCN[C | 3 | COc1ccc(C[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | C[C |
<|startoftext|><L>COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(<mask_1:4>)(F)F)c2)C(=O)O)cc1<mask_1:4> | 3 | 32 | 4 | C(F | 4 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(OC(F)(F)F)c2)C(=O)O)cc1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | OC(F |
<|startoftext|><L>COc1ccc<mask_1:7>H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1<mask_1:7> | 8 | 7 | 7 | (CCN[C@@ | 7 | COc1ccc(CN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | (CN[C@@ |
<|startoftext|><L>COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C<mask_1:3>1<mask_1:3> | 8 | 45 | 3 | (=O)O)cc | 4 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)CO)cc1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | O)cc |
<|startoftext|><L>COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C<mask_1:1>O)cc1<mask_1:1> | 4 | 45 | 1 | (=O) | 1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C=O)cc1 | COc1ccc(CCN[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 | = |
<|startoftext|><L>CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C<mask_1:2>)c1C<mask_1:2> | 0 | 36 | 2 | 2 | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(CCC)c1C | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | CC |
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<|startoftext|><L>CCOC(=O)c1c(-c2ccccc2)c(C(=O)O<mask_1:6>n(C)c1C<mask_1:6> | 3 | 30 | 6 | CC) | 6 | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OC(F)F)n(C)c1C | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | C(F)F) |
<|startoftext|><L>CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC<mask_1:6>c1C<mask_1:6> | 5 | 32 | 6 | )n(C) | 6 | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(CC)c1C | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | )n(CC) |
<|startoftext|><L>CCOC(=O)c1c(-c2cc<mask_1:4>cc2)c(C(=O)OCC)n(C)c1C<mask_1:4> | 1 | 17 | 4 | c | 4 | CCOC(=O)c1c(-c2ccc(F)cc2)c(C(=O)OCC)n(C)c1C | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | c(F) |
<|startoftext|><L>CCOC(=O)c1c(-c2ccccc2)c(C<mask_1:4>C)n(C)c1C<mask_1:4> | 6 | 25 | 4 | (=O)OC | 4 | CCOC(=O)c1c(-c2ccccc2)c(CN(C)C)n(C)c1C | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | N(C) |
<|startoftext|><L>CCOC(=<mask_1:4>c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C<mask_1:4> | 2 | 6 | 4 | O) | 4 | CCOC(=O)COc1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | O)CO |
<|startoftext|><L>CCOC(=O)c1c(-c2ccccc2)c(C(=O)<mask_1:1>n(C)c1C<mask_1:1> | 4 | 29 | 1 | OCC) | 1 | CCOC(=O)c1c(-c2ccccc2)c(C(=O))n(C)c1C | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | ) |
<|startoftext|><L>CCOC(=O)c1c(-c2ccccc2)c(C(=O)OC<mask_1:1>c1C<mask_1:1> | 6 | 31 | 1 | C)n(C) | 1 | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OC)c1C | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | ) |
<|startoftext|><L>CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n<mask_1:4>C)c1C<mask_1:4> | 1 | 34 | 4 | ( | 4 | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(CCOC)c1C | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | (CCO |
<|startoftext|><L>CC<mask_1:1>OC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C<mask_1:1> | 0 | 2 | 1 | 1 | CCCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C | C |