prompt
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
|
|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>Cn1nc(O)c2c1CN(CC(=O)N1<mask_1:3>CCCc3ccccc31)CC2<mask_1:3> | 0 | 23 | 3 | 3 | Cn1nc(O)c2c1CN(CC(=O)N1CCCCCCc3ccccc31)CC2 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | CCC |
|
<|startoftext|><L>Cn1nc(O)c2c1CN<mask_1:1>C(=O)N1CCCc3ccccc31)CC2<mask_1:1> | 2 | 14 | 1 | (C | 1 | Cn1nc(O)c2c1CN(C(=O)N1CCCc3ccccc31)CC2 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | ( |
<|startoftext|><L>Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccc<mask_1:5>31)CC2<mask_1:5> | 2 | 31 | 5 | cc | 5 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3cccc(F)c31)CC2 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | c(F)c |
<|startoftext|><L>Cn1nc(O)c2c1CN(CC(=O)N1C<mask_1:3>ccccc31)CC2<mask_1:3> | 4 | 24 | 3 | CCc3 | 3 | Cn1nc(O)c2c1CN(CC(=O)N1CCc3ccccc31)CC2 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | Cc3 |
<|startoftext|><L>Cn1nc(O)c2c1CN(CC(=O)N1CCCc3c<mask_1:3>31)CC2<mask_1:3> | 4 | 29 | 3 | cccc | 4 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | cccc |
<|startoftext|><L>Cn1nc(O)c2c1CN(C<mask_1:2>)N1CCCc3ccccc31)CC2<mask_1:2> | 4 | 16 | 2 | C(=O | 2 | Cn1nc(O)c2c1CN(C(C)N1CCCc3ccccc31)CC2 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | (C |
<|startoftext|><L>Cn1<mask_1:2>c2c1CN(CC(=O)N1CCCc3ccccc31)CC2<mask_1:2> | 5 | 3 | 2 | nc(O) | 2 | Cn1ncc2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | nc |
<|startoftext|><L>Cn1n<mask_1:2>)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2<mask_1:2> | 3 | 4 | 2 | c(O | 2 | Cn1n(C)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | (C |
<|startoftext|><L>Cn1nc(O)c2c1C<mask_1:4>CC(=O)N1CCCc3ccccc31)CC2<mask_1:4> | 2 | 13 | 4 | N( | 4 | Cn1nc(O)c2c1CCN(CCC(=O)N1CCCc3ccccc31)CC2 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | CN(C |
<|startoftext|><L>C<mask_1:1>n1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2<mask_1:1> | 0 | 1 | 1 | 1 | CCn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | Cn1nc(O)c2c1CN(CC(=O)N1CCCc3ccccc31)CC2 | C |
|
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2<mask_1:2>c2)cc1<mask_1:2> | 4 | 42 | 2 | cccc | 2 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc2)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | cc |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc<mask_1:5>c1<mask_1:5> | 3 | 47 | 5 | 2)c | 5 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2OC)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | 2OC)c |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2<mask_1:1>)cc1<mask_1:1> | 0 | 48 | 1 | 1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2C)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | C |
|
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N(CC(=O)N2C<mask_1:2>=O)CC2)c2ccccc2)cc1<mask_1:2> | 4 | 29 | 2 | CN(C | 2 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC(=O)CC2)c2ccccc2)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | C( |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N(CC(<mask_1:6>N(C=O)CC2)c2ccccc2)cc1<mask_1:6> | 7 | 23 | 6 | =O)N2CC | 6 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CN(C=O)CC2)c2ccccc2)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | =O)N2C |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC<mask_1:5>CC2)c2ccccc2)cc1<mask_1:5> | 6 | 30 | 5 | N(C=O) | 5 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(CC)CC2)c2ccccc2)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | N(CC) |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N(CC(=O)N<mask_1:3>CCN(C=O)CC2)c2ccccc2)cc1<mask_1:3> | 1 | 27 | 3 | 2 | 3 | CCOc1ccc(S(=O)(=O)N(CC(=O)NCC2CCN(C=O)CC2)c2ccccc2)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | CC2 |
<|startoftext|><L>CCOc1ccc(S(=O)(=O)N(CC(=O)N2<mask_1:4>O)CC2)c2ccccc2)cc1<mask_1:4> | 6 | 28 | 4 | CCN(C= | 4 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(O)CC2)c2ccccc2)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | CCC( |
<|startoftext|><L>C<mask_1:5>ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1<mask_1:5> | 4 | 1 | 5 | COc1 | 5 | CCCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | CCOc1 |
<|startoftext|><L>CCOc1ccc(S(=O)(=O<mask_1:7>)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1<mask_1:7> | 0 | 17 | 7 | 7 | CCOc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2)cc1 | )NCC(=O |
|
<|startoftext|><L>OC1(CNCc2cn(Cc3c<mask_1:3>nc2-c2cccnc2)CCOCC1<mask_1:3> | 6 | 16 | 3 | cccc3) | 3 | OC1(CNCc2cn(Cc3cs3)nc2-c2cccnc2)CCOCC1 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | s3) |
<|startoftext|><L>OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccn<mask_1:5>COCC1<mask_1:5> | 4 | 32 | 5 | c2)C | 5 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCOCC1 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | c2)CC |
<|startoftext|><L>OC1(CNCc2cn(Cc3ccccc3)nc2-c2ccc<mask_1:5>c2)CCOCC1<mask_1:5> | 1 | 31 | 5 | n | 5 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccc(Cl)c2)CCOCC1 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | c(Cl) |
<|startoftext|><L>OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCO<mask_1:2>C1<mask_1:2> | 1 | 38 | 2 | C | 2 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCCC1 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | CC |
<|startoftext|><L>OC1(CNCc2cn(Cc3ccccc3)nc2<mask_1:4>-c2cccnc2)CCOCC1<mask_1:4> | 0 | 25 | 4 | 4 | OC1(CNCc2cn(Cc3ccccc3)nc2C(F)-c2cccnc2)CCOCC1 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | C(F) |
|
<|startoftext|><L>OC1(CNCc2cn<mask_1:4>Cc3ccccc3)nc2-c2cccnc2)CCOCC1<mask_1:4> | 1 | 11 | 4 | ( | 4 | OC1(CNCc2cnc(NCCc3ccccc3)nc2-c2cccnc2)CCOCC1 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | c(NC |
<|startoftext|><L><mask_1:3>1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1<mask_1:3> | 2 | 0 | 3 | OC | 3 | COC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | COC |
<|startoftext|><L>OC1(CNCc<mask_1:2>(Cc3ccccc3)nc2-c2cccnc2)CCOCC1<mask_1:2> | 3 | 8 | 2 | 2cn | 2 | OC1(CNCc2c(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | 2c |
<|startoftext|><L>OC1(CNCc2cn(Cc3ccccc3)nc2-c2c<mask_1:4>cnc2)CCOCC1<mask_1:4> | 1 | 29 | 4 | c | 4 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cc(F)cnc2)CCOCC1 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | c(F) |
<|startoftext|><L>OC1(CNCc2cn(Cc3ccccc3)nc2-c2ccc<mask_1:4>COCC1<mask_1:4> | 5 | 31 | 4 | nc2)C | 4 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)CCOCC1 | OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCOCC1 | s2)C |
<|startoftext|><L>COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23C<mask_1:4>CC(=O)N3)cc1OC<mask_1:4> | 0 | 59 | 4 | 4 | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23C(=O)CC(=O)N3)cc1OC | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | (=O) |
|
<|startoftext|><L>COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCC<mask_1:8>)CC[C@]23CCC(=O)N3)cc1OC<mask_1:8> | 9 | 40 | 8 | C[C@@H]34 | 8 | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | [C@@H]34 |
<|startoftext|><L>COc1ccc([C@H]2C[C@@<mask_1:9>(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC<mask_1:9> | 5 | 19 | 9 | H](NC | 9 | COc1ccc([C@H]2C[C@@H](NS(=O)(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | H](NS(=O) |
<|startoftext|><L>COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34<mask_1:8>C@]23CCC(=O)N3)cc1OC<mask_1:8> | 4 | 49 | 8 | )CC[ | 8 | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)C(=O)N[C@]23CCC(=O)N3)cc1OC | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | )C(=O)N[ |
<|startoftext|><L>COc1ccc([C@<mask_1:9>H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC<mask_1:9> | 8 | 11 | 9 | H]2C[C@@ | 8 | COc1ccc([C@@H]2[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | @H]2[C@@ |
<|startoftext|><L>COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23C<mask_1:4>=O)N3)cc1OC<mask_1:4> | 3 | 59 | 4 | CC( | 4 | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCCC(=O)N3)cc1OC | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | CCC( |
<|startoftext|><L>COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)c<mask_1:10>OC<mask_1:10> | 2 | 69 | 10 | c1 | 10 | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)c(C)c1C(=O)OC | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | (C)c1C(=O) |
<|startoftext|><L>COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H<mask_1:9>C[C@]23CCC(=O)N3)cc1OC<mask_1:9> | 5 | 46 | 9 | ]34)C | 9 | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)C(=O)C[C@]23CCC(=O)N3)cc1OC | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | ]34)C(=O) |
<|startoftext|><L>COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4C<mask_1:2>34)CC[C@]23CCC(=O)N3)cc1OC<mask_1:2> | 9 | 38 | 2 | CCC[C@@H] | 2 | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCC34)CC[C@]23CCC(=O)N3)cc1OC | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | CC |
<|startoftext|><L>COc1ccc([C@H]2C<mask_1:7>(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC<mask_1:7> | 9 | 15 | 7 | [C@@H](NC | 7 | COc1ccc([C@H]2C[C@H](C(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC | [C@H](C |
<|startoftext|><L>Cn1cc(/C=C2\SC(=O)N(c3ccccc3<mask_1:1>2=O)c2ccccc21<mask_1:1> | 2 | 28 | 1 | )C | 1 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)2=O)c2ccccc21 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | ) |
<|startoftext|><L>Cn1cc(/C=<mask_1:5>2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21<mask_1:5> | 1 | 9 | 5 | C | 5 | Cn1cc(/C=C/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | C/C=C |
<|startoftext|><L>Cn1cc(/C=C2\SC(=O)N(c3ccccc3)<mask_1:6>C2=O)c2ccccc21<mask_1:6> | 0 | 29 | 6 | 6 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C(=S)NC2=O)c2ccccc21 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | C(=S)N |
|
<|startoftext|><L>Cn1cc(/C=<mask_1:2>C(=O)N(c3ccccc3)C2=O)c2ccccc21<mask_1:2> | 4 | 9 | 2 | C2\S | 2 | Cn1cc(/C=C2C(=O)N(c3ccccc3)C2=O)c2ccccc21 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | C2 |
<|startoftext|><L>Cn1cc<mask_1:3>C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21<mask_1:3> | 4 | 5 | 3 | (/C= | 3 | Cn1cc(/CC2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | (/C |
<|startoftext|><L>Cn1cc<mask_1:4>C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21<mask_1:4> | 2 | 5 | 4 | (/ | 4 | Cn1cc(CN/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | (CN/ |
<|startoftext|><L><mask_1:4>1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21<mask_1:4> | 2 | 0 | 4 | Cn | 4 | CCCn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | CCCn |
<|startoftext|><L>Cn1cc(/C=C2\SC(=O)N(c3ccc<mask_1:2>)C2=O)c2ccccc21<mask_1:2> | 3 | 25 | 2 | cc3 | 2 | Cn1cc(/C=C2\SC(=O)N(c3cccs3)C2=O)c2ccccc21 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | s3 |
<|startoftext|><L>Cn1cc(/C=C2\S<mask_1:3>)N(c3ccccc3)C2=O)c2ccccc21<mask_1:3> | 4 | 13 | 3 | C(=O | 3 | Cn1cc(/C=C2\S(=S)N(c3ccccc3)C2=O)c2ccccc21 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | (=S |
<|startoftext|><L>Cn1cc(/C=C2\SC(=O)N(c3ccc<mask_1:5>C2=O)c2ccccc21<mask_1:5> | 4 | 25 | 5 | cc3) | 5 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3F)C2=O)c2ccccc21 | Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 | cc3F) |
<|startoftext|><L>O=C(Nc1cccc(Cl)<mask_1:3>N1CCN(CCc2ccccc2)CC1<mask_1:3> | 5 | 15 | 3 | c1Cl) | 3 | O=C(Nc1cccc(Cl)c1)N1CCN(CCc2ccccc2)CC1 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | c1) |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1Cl)N1CCN(CC<mask_1:5>ccc2)CC1<mask_1:5> | 4 | 28 | 5 | c2cc | 5 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCCc2ccccc2)CC1 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | Cc2cc |
<|startoftext|><L>O=C(Nc1<mask_1:4>Cl)c1Cl)N1CCN(CCc2ccccc2)CC1<mask_1:4> | 5 | 7 | 4 | cccc( | 4 | O=C(Nc1nsc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | nsc( |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2cccc<mask_1:5>C1<mask_1:5> | 4 | 34 | 5 | c2)C | 5 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2F)CC1 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | c2F)C |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1Cl)N1CCN(<mask_1:2>2ccccc2)CC1<mask_1:2> | 3 | 26 | 2 | CCc | 2 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(Cc2ccccc2)CC1 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | Cc |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1Cl)N1CC<mask_1:2>(CCc2ccccc2)CC1<mask_1:2> | 1 | 24 | 2 | N | 2 | O=C(Nc1cccc(Cl)c1Cl)N1CCCN(CCc2ccccc2)CC1 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | CN |
<|startoftext|><L>O<mask_1:3>(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1<mask_1:3> | 2 | 1 | 3 | =C | 3 | O=CC(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | =CC |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc<mask_1:4>2)CC1<mask_1:4> | 6 | 29 | 4 | 2ccccc | 5 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2cccs2)CC1 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | 2cccs |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1Cl)N1CCN<mask_1:4>ccccc2)CC1<mask_1:4> | 5 | 25 | 4 | (CCc2 | 4 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(Cc2ccccc2)CC1 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | (Cc2 |
<|startoftext|><L>O=C(Nc1cccc(Cl)c1Cl)N1CCN(C<mask_1:4>c2ccccc2)CC1<mask_1:4> | 1 | 27 | 4 | C | 4 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(C(=O)c2ccccc2)CC1 | O=C(Nc1cccc(Cl)c1Cl)N1CCN(CCc2ccccc2)CC1 | (=O) |
<|startoftext|><L>O=<mask_1:4>c2ccccc2Oc2ccccc21)c1ccc(I)cc1<mask_1:4> | 5 | 2 | 4 | C(NC1 | 4 | O=C(N1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | C(N1 |
<|startoftext|><L>O=C(NC1c2cccc<mask_1:4>Oc2ccccc21)c1ccc(I)cc1<mask_1:4> | 2 | 13 | 4 | c2 | 4 | O=C(NC1c2ccccc2CCOc2ccccc21)c1ccc(I)cc1 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | c2CC |
<|startoftext|><L>O=C(NC1c2ccccc2Oc2ccccc21)c1c<mask_1:2>)cc1<mask_1:2> | 4 | 29 | 2 | cc(I | 2 | O=C(NC1c2ccccc2Oc2ccccc21)c1c(F)cc1 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | (F |
<|startoftext|><L>O=C(<mask_1:1>NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1<mask_1:1> | 0 | 4 | 1 | 1 | O=C(CNC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | C |
|
<|startoftext|><L>O=C(NC1c2ccccc2Oc2ccccc21)c1ccc<mask_1:5>c1<mask_1:5> | 4 | 31 | 5 | (I)c | 5 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(Cl)nc1 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | (Cl)n |
<|startoftext|><L>O=C<mask_1:1>C1c2ccccc2Oc2ccccc21)c1ccc(I)cc1<mask_1:1> | 2 | 3 | 1 | (N | 1 | O=C(C1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | ( |
<|startoftext|><L>O=C(NC1c2ccccc2Oc2ccccc21)c1<mask_1:5>cc(I)cc1<mask_1:5> | 1 | 28 | 5 | c | 5 | O=C(NC1c2ccccc2Oc2ccccc21)c1c(Cl)cc(I)cc1 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | c(Cl) |
<|startoftext|><L>O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I<mask_1:2>)cc1<mask_1:2> | 0 | 33 | 2 | 2 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(ICO)cc1 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | CO |
|
<|startoftext|><L>O=C<mask_1:4>1c2ccccc2Oc2ccccc21)c1ccc(I)cc1<mask_1:4> | 3 | 3 | 4 | (NC | 4 | O=C(OCC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | (OCC |
<|startoftext|><L>O=C(NC1c2ccccc2Oc2ccccc21)c1cc<mask_1:5>(I)cc1<mask_1:5> | 1 | 30 | 5 | c | 5 | O=C(NC1c2ccccc2Oc2ccccc21)c1cc(Cl)c(I)cc1 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 | (Cl)c |
<|startoftext|><L>Cc1ccsc1C<mask_1:5>@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O<mask_1:5> | 6 | 9 | 5 | N1C[C@ | 5 | Cc1ccsc1CN1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | N1C[C |
<|startoftext|><L>Cc1ccsc1CN1C[<mask_1:3>c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O<mask_1:3> | 6 | 13 | 3 | C@@H]( | 3 | Cc1ccsc1CN1C[C](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | C]( |
<|startoftext|><L>Cc1ccsc1CN1C[C@@H](<mask_1:7>c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O<mask_1:7> | 0 | 19 | 7 | 7 | Cc1ccsc1CN1C[C@@H](NC(=O)Cc2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | NC(=O)C |
|
<|startoftext|><L>Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@<mask_1:6>C1)OCCN(Cc1ccncc1)C2=O<mask_1:6> | 3 | 31 | 6 | ]2( | 6 | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(COCC1)OCCN(Cc1ccncc1)C2=O | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | ]2(COC |
<|startoftext|><L>Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OC<mask_1:6>c1ccncc1)C2=O<mask_1:6> | 4 | 39 | 6 | CN(C | 6 | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCCN(CCc1ccncc1)C2=O | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | CCN(CC |
<|startoftext|><L>Cc1ccsc1CN1C[C@@H](c2c<mask_1:8>C@]2(C1)OCCN(Cc1ccncc1)C2=O<mask_1:8> | 7 | 22 | 8 | ccnc2)[ | 8 | Cc1ccsc1CN1C[C@@H](c2ccccn2)C[C@]2(C1)OCCN(Cc1ccncc1)C2=O | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | cccn2)C[ |
<|startoftext|><L>Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(<mask_1:7>c1ccncc1)C2=O<mask_1:7> | 1 | 42 | 7 | C | 7 | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(C(=O)CCc1ccncc1)C2=O | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | C(=O)CC |
<|startoftext|><L>Cc1ccsc1CN<mask_1:4>(c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O<mask_1:4> | 8 | 10 | 4 | 1C[C@@H] | 4 | Cc1ccsc1CN1CCN(c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | 1CCN |
<|startoftext|><L>Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc<mask_1:6>)C2=O<mask_1:6> | 7 | 44 | 6 | 1ccncc1 | 6 | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1nccs1)C2=O | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | 1nccs1 |
<|startoftext|><L>Cc1ccs<mask_1:6>CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O<mask_1:6> | 2 | 6 | 6 | c1 | 6 | Cc1ccsc1CNCCCN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O | c1CNCC |
<|startoftext|><L>O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN<mask_1:8>3ccccn3)C[C@@H]1C2<mask_1:8> | 7 | 34 | 8 | (C(=O)c | 8 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)Cc3ccccn3)C[C@@H]1C2 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | (C(=O)Cc |
<|startoftext|><L>O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O<mask_1:8>cn3)C[C@@H]1C2<mask_1:8> | 6 | 39 | 8 | )c3ccc | 8 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)CCc3ccccn3)C[C@@H]1C2 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | )CCc3ccc |
<|startoftext|><L>O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn<mask_1:4>]1C2<mask_1:4> | 8 | 47 | 4 | 3)C[C@@H | 4 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)[C]1C2 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | 3)[C |
<|startoftext|><L>O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(<mask_1:7>cn3)C[C@@H]1C2<mask_1:7> | 8 | 37 | 7 | =O)c3ccc | 7 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3cscn3)C[C@@H]1C2 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | =O)c3cs |
<|startoftext|><L>O=C(Nc1cccc(F)c1)c1nnc2n1C<mask_1:3>C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2<mask_1:3> | 1 | 26 | 3 | [ | 3 | O=C(Nc1cccc(F)c1)c1nnc2n1CCO[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | CO[ |
<|startoftext|><L>O=C(Nc1cccc(F)c1)c1nnc<mask_1:7>]1CN(C(=O)c3ccccn3)C[C@@H]1C2<mask_1:7> | 8 | 22 | 7 | 2n1C[C@H | 7 | O=C(Nc1cccc(F)c1)c1nnc2n1[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | 2n1[C@H |
<|startoftext|><L>O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3c<mask_1:6>)C[C@@H]1C2<mask_1:6> | 5 | 43 | 6 | cccn3 | 6 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3cncnc3O)C[C@@H]1C2 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | ncnc3O |
<|startoftext|><L>O=C(Nc1cccc(F)c<mask_1:7>nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2<mask_1:7> | 4 | 15 | 7 | 1)c1 | 7 | O=C(Nc1cccc(F)c1F)NCc1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | 1F)NCc1 |
<|startoftext|><L>O<mask_1:4>1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2<mask_1:4> | 5 | 1 | 4 | =C(Nc | 4 | O=C(c1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | =C(c |
<|startoftext|><L>O=C(Nc1cccc(F)c1)c1<mask_1:6>nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2<mask_1:6> | 0 | 19 | 6 | 6 | O=C(Nc1cccc(F)c1)c1cc(CO)nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1C2 | cc(CO) |
|
<|startoftext|><L>N#CC1CCN(C(=O)Nc2cc<mask_1:4>CCC3)c(Cl)c2)CC1<mask_1:4> | 6 | 19 | 4 | c(OC3C | 4 | N#CC1CCN(C(=O)Nc2ccc(N3CCC3)c(Cl)c2)CC1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | c(N3 |
<|startoftext|><L>N#CC1CCN(C(=O)Nc2ccc(OC3CC<mask_1:1>3)c(Cl)c2)CC1<mask_1:1> | 2 | 26 | 1 | CC | 1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCC3)c(Cl)c2)CC1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | C |
<|startoftext|><L>N#CC1CCN(C(=O)Nc2ccc(OC3CCCC<mask_1:1>3)c(Cl)c2)CC1<mask_1:1> | 0 | 28 | 1 | 1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCCC3)c(Cl)c2)CC1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | C |
|
<|startoftext|><L>N#<mask_1:3>1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1<mask_1:3> | 2 | 2 | 3 | CC | 3 | N#CCN1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | CCN |
<|startoftext|><L>N#CC<mask_1:4>CN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1<mask_1:4> | 2 | 4 | 4 | 1C | 4 | N#CCCN1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | CN1C |
<|startoftext|><L>N#CC1CCN(C(=O)Nc2ccc(OC<mask_1:6>CC3)c(Cl)c2)CC1<mask_1:6> | 3 | 23 | 6 | 3CC | 6 | N#CC1CCN(C(=O)Nc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | CN3CCO |
<|startoftext|><L>N#<mask_1:3>CN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1<mask_1:3> | 4 | 2 | 3 | CC1C | 3 | N#CC1CN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | CC1 |
<|startoftext|><L><mask_1:5>C1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1<mask_1:5> | 3 | 0 | 5 | N#C | 5 | CN(C)C1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | CN(C) |
<|startoftext|><L>N#<mask_1:2>CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1<mask_1:2> | 0 | 2 | 2 | 2 | N#CCCC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | CC |
|
<|startoftext|><L>N#<mask_1:5>CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1<mask_1:5> | 3 | 2 | 5 | CC1 | 5 | N#CCCN1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | N#CC1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 | CCCN1 |