prompt
stringlengths 49
262
| first_mask_count
int64 0
16
| first_start_index
int64 0
216
| first_mask_gen_count
int64 1
16
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stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 12
233
| original_smiles
stringlengths 12
224
| generated_tokens
stringlengths 0
18
|
|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>COc1<mask_1:5>cc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC<mask_1:5>
| 1
| 4
| 5
|
c
| 5
|
COc1c(OC)cc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
c(OC)
|
<|startoftext|><L>COc1ccc(C(=O)NCC(=O)NCCC<mask_1:4>ccccc2)cc1OC<mask_1:4>
| 3
| 24
| 4
|
Oc2
| 4
|
COc1ccc(C(=O)NCC(=O)NCCCOCc2ccccc2)cc1OC
|
COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
OCc2
|
<|startoftext|><L>C<mask_1:4>c1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC<mask_1:4>
| 1
| 1
| 4
|
O
| 4
|
CN(C)c1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
N(C)
|
<|startoftext|><L><mask_1:4>1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC<mask_1:4>
| 3
| 0
| 4
|
COc
| 4
|
CCOc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
CCOc
|
<|startoftext|><L>COc1ccc(C(=O)NCC(<mask_1:4>CCOc2ccccc2)cc1OC<mask_1:4>
| 5
| 17
| 4
|
=O)NC
| 4
|
COc1ccc(C(=O)NCC(=O)NCCOc2ccccc2)cc1OC
|
COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
=O)N
|
<|startoftext|><L>C<mask_1:1>1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC<mask_1:1>
| 2
| 1
| 1
|
Oc
| 1
|
Cc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
c
|
<|startoftext|><L><mask_1:5>COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC<mask_1:5>
| 0
| 0
| 5
| 5
|
CC(C)COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
CC(C)
|
|
<|startoftext|><L>COc1ccc(C(=O)NCC(=O)NCCCOc2cccc<mask_1:4>2)cc1OC<mask_1:4>
| 1
| 31
| 4
|
c
| 4
|
COc1ccc(C(=O)NCC(=O)NCCCOc2cccc(C)c2)cc1OC
|
COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
(C)c
|
<|startoftext|><L>COc1ccc(C(=O)NCC(=O)NC<mask_1:2>2ccccc2)cc1OC<mask_1:2>
| 4
| 22
| 2
|
CCOc
| 2
|
COc1ccc(C(=O)NCC(=O)NCCc2ccccc2)cc1OC
|
COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
Cc
|
<|startoftext|><L>COc1ccc(C(=O<mask_1:5>C(=O)NCCCOc2ccccc2)cc1OC<mask_1:5>
| 3
| 12
| 5
|
)NC
| 5
|
COc1ccc(C(=O)N(C)C(=O)NCCCOc2ccccc2)cc1OC
|
COc1ccc(C(=O)NCC(=O)NCCCOc2ccccc2)cc1OC
|
)N(C)
|
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N<mask_1:5>H]1CCCCc2ccccc21<mask_1:5>
| 3
| 25
| 5
|
[C@
| 5
|
CSCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CCCCc2ccccc21
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
C[C@@
|
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N[C@H]<mask_1:1>Cc2ccccc21<mask_1:1>
| 4
| 30
| 1
|
1CCC
| 1
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1Cc2ccccc21
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
1
|
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N<mask_1:6>C@H]1CCCCc2ccccc21<mask_1:6>
| 1
| 25
| 6
|
[
| 6
|
CSCC[C@@H](NC(N)=O)C(=O)N(C)CC[C@H]1CCCCc2ccccc21
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
(C)CC[
|
<|startoftext|><L>CSCC[C@@H](<mask_1:6>N)=O)C(=O)N[C@H]1CCCCc2ccccc21<mask_1:6>
| 3
| 11
| 6
|
NC(
| 6
|
CSCC[C@@H](NS(C)(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
NS(C)(
|
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O<mask_1:5>[C@H]1CCCCc2ccccc21<mask_1:5>
| 2
| 23
| 5
|
)N
| 5
|
CSCC[C@@H](NC(N)=O)C(=O)N(C)[C@H]1CCCCc2ccccc21
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
)N(C)
|
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1<mask_1:3>c2ccccc21<mask_1:3>
| 4
| 31
| 3
|
CCCC
| 3
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCc2ccccc21
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
CCC
|
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N[C@H]<mask_1:1>c2ccccc21<mask_1:1>
| 5
| 30
| 1
|
1CCCC
| 1
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1c2ccccc21
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
1
|
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2cc<mask_1:3>ccc21<mask_1:3>
| 0
| 39
| 3
| 3
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2cc(F)ccc21
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
(F)
|
|
<|startoftext|><L>CSCC[C@@H](NC(N)=O)C(=O)N<mask_1:5>]1CCCCc2ccccc21<mask_1:5>
| 4
| 25
| 5
|
[C@H
| 5
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCCc2ccccc21
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
[C@@H
|
<|startoftext|><L><mask_1:2>[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21<mask_1:2>
| 4
| 0
| 2
|
CSCC
| 2
|
CC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
CSCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCCc2ccccc21
|
CC
|
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C@@H<mask_1:4>c4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:4>
| 3
| 25
| 4
|
]3C
| 4
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3CCc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
]3CC
|
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br<mask_1:6>]32)c1Cc1ccccc1<mask_1:6>
| 8
| 36
| 6
|
)cc4[C@H
| 6
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C]32)c1Cc1ccccc1
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
)cc4[C
|
<|startoftext|><L>Cn1ncc(C(=O)N[C@@<mask_1:8>@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:8>
| 5
| 17
| 8
|
H]2[C
| 8
|
Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
H]2CCC[C
|
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1cc<mask_1:8>ccc1<mask_1:8>
| 0
| 55
| 8
| 8
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1-n1cccc1
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
ccc1-n1c
|
|
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4cc<mask_1:4>cc4[C@H]32)c1Cc1ccccc1<mask_1:4>
| 5
| 32
| 4
|
c(Br)
| 4
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@H]32)c1Cc1ccccc1
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
(F)c
|
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C<mask_1:7>Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:7>
| 5
| 22
| 7
|
@@H]3
| 7
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3COCc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
@@H]3CO
|
<|startoftext|><L><mask_1:8>Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:8>
| 0
| 0
| 8
| 8
|
CNC(=O)CCn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
CNC(=O)C
|
|
<|startoftext|><L>Cn1ncc(<mask_1:5>)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:5>
| 4
| 7
| 5
|
C(=O
| 5
|
Cn1ncc(NC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
NC(=O
|
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H<mask_1:6>[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1<mask_1:6>
| 2
| 18
| 6
|
]2
| 6
|
Cn1ncc(C(=O)N[C@@H]2CCCC[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
]2CCCC
|
<|startoftext|><L>Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4<mask_1:8>r)cc4[C@H]32)c1Cc1ccccc1<mask_1:8>
| 5
| 30
| 8
|
ccc(B
| 8
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)c(Br)cc4[C@H]32)c1Cc1ccccc1
|
Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1
|
cc(F)c(B
|
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)<mask_1:1>N2CC[C@@H](C(=O)O)C2)cc1<mask_1:1>
| 0
| 19
| 1
| 1
|
CCCOc1ccc(S(=O)(=O)NN2CC[C@@H](C(=O)O)C2)cc1
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
N
|
|
<|startoftext|><L>CCCOc1ccc(S(=O)(<mask_1:1>)N2CC[C@@H](C(=O)O)C2)cc1<mask_1:1>
| 2
| 16
| 1
|
=O
| 1
|
CCCOc1ccc(S(=O)(N)N2CC[C@@H](C(=O)O)C2)cc1
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
N
|
<|startoftext|><L>CCCOc1ccc(S(=O<mask_1:1>2CC[C@@H](C(=O)O)C2)cc1<mask_1:1>
| 6
| 14
| 1
|
)(=O)N
| 1
|
CCCOc1ccc(S(=O)2CC[C@@H](C(=O)O)C2)cc1
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
)
|
<|startoftext|><L>CCCOc1ccc(<mask_1:6>S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1<mask_1:6>
| 0
| 10
| 6
| 6
|
CCCOc1ccc(C(=O)NS(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
C(=O)N
|
|
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=<mask_1:2>)C2)cc1<mask_1:2>
| 3
| 33
| 2
|
O)O
| 2
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O))C2)cc1
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
O)
|
<|startoftext|><L>CCCOc1ccc(S(=O)(=O)<mask_1:6>N2CC[C@@H](C(=O)O)C2)cc1<mask_1:6>
| 0
| 19
| 6
| 6
|
CCCOc1ccc(S(=O)(=O)NC(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
NC(=O)
|
|
<|startoftext|><L>CCC<mask_1:2>c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1<mask_1:2>
| 1
| 3
| 2
|
O
| 2
|
CCCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
CO
|
<|startoftext|><L>CCCOc1ccc(<mask_1:3>=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1<mask_1:3>
| 2
| 10
| 3
|
S(
| 3
|
CCCOc1ccc(CS(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
CS(
|
<|startoftext|><L>CCCOc1ccc(S(=O)(<mask_1:5>N2CC[C@@H](C(=O)O)C2)cc1<mask_1:5>
| 3
| 16
| 5
|
=O)
| 5
|
CCCOc1ccc(S(=O)(=O)NCN2CC[C@@H](C(=O)O)C2)cc1
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
=O)NC
|
<|startoftext|><L>CC<mask_1:5>Oc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1<mask_1:5>
| 1
| 2
| 5
|
C
| 5
|
CCCCCCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
CCCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)cc1
|
CCCCC
|
<|startoftext|><L>C[C@]1(CCC(=<mask_1:4>O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:4>
| 0
| 12
| 4
| 4
|
C[C@]1(CCC(=O)N(O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
O)N(
|
|
<|startoftext|><L>C[C@]1(CCC(=<mask_1:5>C[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:5>
| 6
| 12
| 5
|
O)N2CC
| 5
|
C[C@]1(CCC(=O)N2CC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
O)N2C
|
<|startoftext|><L>C<mask_1:3>CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:3>
| 6
| 1
| 3
|
[C@]1(
| 3
|
CC1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C1(
|
<|startoftext|><L>C[C@]1<mask_1:6>C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:6>
| 3
| 6
| 6
|
(CC
| 6
|
C[C@]1(CN(C)C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
(CN(C)
|
<|startoftext|><L>C[C@]1(CCC(=O)N2CCC[C@<mask_1:5>nc3ccccc3s2)CCC(=O)N1<mask_1:5>
| 6
| 22
| 5
|
@H]2c2
| 5
|
C[C@]1(CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
H]2c2
|
<|startoftext|><L>C[C@]1(CCC(=O)N<mask_1:5>@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:5>
| 7
| 15
| 5
|
2CCC[C@
| 5
|
C[C@]1(CCC(=O)N2CC[C@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
2CC[C
|
<|startoftext|><L>C[C@]1(CCC<mask_1:2>=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:2>
| 1
| 10
| 2
|
(
| 2
|
C[C@]1(CCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C(
|
<|startoftext|><L>C[C@]1(CCC(=O<mask_1:5>2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:5>
| 2
| 13
| 5
|
)N
| 5
|
C[C@]1(CCC(=O)NCCN2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
)NCCN
|
<|startoftext|><L>C[C@]1(CCC(=O)N2CCC[C<mask_1:3>2c2nc3ccccc3s2)CCC(=O)N1<mask_1:3>
| 4
| 21
| 3
|
@@H]
| 3
|
C[C@]1(CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
@H]
|
<|startoftext|><L>C[C@]1(C<mask_1:7>(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1<mask_1:7>
| 2
| 8
| 7
|
CC
| 7
|
C[C@]1(C(=O)NCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
C[C@]1(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC(=O)N1
|
(=O)NCC
|
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(=O)<mask_1:5>C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:5>
| 1
| 23
| 5
|
[
| 5
|
Cc1ccc(NC(=O)CN(C)C(=O)CCCC[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
CCCC[
|
<|startoftext|><L><mask_1:5>Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:5>
| 0
| 0
| 5
| 5
|
CC(C)Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
CC(C)
|
|
<|startoftext|><L>Cc1ccc(NC(=O)CN<mask_1:4>C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:4>
| 1
| 15
| 4
|
(
| 4
|
Cc1ccc(NC(=O)CN(CCOC)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
(CCO
|
<|startoftext|><L>Cc1ccc(<mask_1:3>CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:3>
| 6
| 7
| 3
|
NC(=O)
| 3
|
Cc1ccc(COCCN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
COC
|
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc<mask_1:3>CC2)cc1<mask_1:3>
| 7
| 43
| 3
|
(F)cc3)
| 3
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3cccs3)CC2)cc1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
s3)
|
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(=O)[C@@<mask_1:2>C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:2>
| 3
| 27
| 2
|
H](
| 2
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
](
|
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(<mask_1:8>C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:8>
| 4
| 20
| 8
|
=O)[
| 8
|
Cc1ccc(NC(=O)CN(C)C(=O)N(C)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
=O)N(C)[
|
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3c<mask_1:4>c(F)cc3)CC2)cc1<mask_1:4>
| 1
| 41
| 4
|
c
| 4
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3cc(F)c(F)cc3)CC2)cc1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
c(F)
|
<|startoftext|><L>Cc1ccc(NC(=O)CN(C)C(=O)[C<mask_1:8>C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:8>
| 5
| 25
| 8
|
@@H](
| 8
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](CCSC)N2CCN(c3ccc(F)cc3)CC2)cc1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
@@H](CCS
|
<|startoftext|><L>Cc1c<mask_1:7>(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1<mask_1:7>
| 5
| 4
| 7
|
cc(NC
| 7
|
Cc1ccc(CCNC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1
|
cc(CCNC
|
<|startoftext|><L>CCc1ccc(O[C@@H](C)C(=O<mask_1:6>(SCc3ccccc3F)s2)cc1<mask_1:6>
| 7
| 22
| 6
|
)Nc2nnc
| 6
|
CCc1ccc(O[C@@H](C)C(=O)c2nnc(SCc3ccccc3F)s2)cc1
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
)c2nnc
|
<|startoftext|><L>CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3<mask_1:2>c3F)s2)cc1<mask_1:2>
| 4
| 34
| 2
|
cccc
| 2
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc3F)s2)cc1
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
cc
|
<|startoftext|><L>CCc1ccc(O[C@@H](C<mask_1:1>)Nc2nnc(SCc3ccccc3F)s2)cc1<mask_1:1>
| 5
| 17
| 1
|
)C(=O
| 1
|
CCc1ccc(O[C@@H](CC)Nc2nnc(SCc3ccccc3F)s2)cc1
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
C
|
<|startoftext|><L>CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3cc<mask_1:6>cc3F)s2)cc1<mask_1:6>
| 1
| 36
| 6
|
c
| 6
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3F)s2)cc1
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
c(C#N)
|
<|startoftext|><L>CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc<mask_1:5>F)s2)cc1<mask_1:5>
| 1
| 39
| 5
|
3
| 5
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3C(F)F)s2)cc1
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
3C(F)
|
<|startoftext|><L>CCc1ccc(O[C@@H]<mask_1:7>(C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1<mask_1:7>
| 0
| 15
| 7
| 7
|
CCc1ccc(O[C@@H](CC)C=C(C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
(CC)C=C
|
|
<|startoftext|><L>CCc1ccc(O[C@@H](C<mask_1:1>Nc2nnc(SCc3ccccc3F)s2)cc1<mask_1:1>
| 6
| 17
| 1
|
)C(=O)
| 1
|
CCc1ccc(O[C@@H](C)Nc2nnc(SCc3ccccc3F)s2)cc1
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
)
|
<|startoftext|><L><mask_1:6>CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1<mask_1:6>
| 0
| 0
| 6
| 6
|
CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
CC(=O)
|
|
<|startoftext|><L>CCc1ccc(O[C@@H](C)C(=O<mask_1:7>nnc(SCc3ccccc3F)s2)cc1<mask_1:7>
| 4
| 22
| 7
|
)Nc2
| 7
|
CCc1ccc(O[C@@H](C)C(=O)NCCNc2nnc(SCc3ccccc3F)s2)cc1
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
)NCCNc2
|
<|startoftext|><L>CCc1ccc(O<mask_1:4>C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1<mask_1:4>
| 7
| 9
| 4
|
[C@@H](
| 4
|
CCc1ccc(OCCN(C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
CCc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1
|
CCN(
|
<|startoftext|><L>O=C(N[C@@H]1CCCN(c2c<mask_1:5>cc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:5>
| 1
| 20
| 5
|
c
| 5
|
O=C(N[C@@H]1CCCN(c2cc(Cl)cc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
c(Cl)
|
<|startoftext|><L>O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2c<mask_1:5>ncc2)s1<mask_1:5>
| 1
| 42
| 5
|
c
| 5
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2cc(Cl)ncc2)s1
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
c(Cl)
|
<|startoftext|><L>O=C(N[C@@H]1CCCN(c2c<mask_1:7>c(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:7>
| 2
| 20
| 7
|
cc
| 7
|
O=C(N[C@@H]1CCCN(c2ccc(C#N)c(F)c2)C1)c1cnc(-c2ccncc2)s1
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
cc(C#N)
|
<|startoftext|><L>O=C(N[C@@H]1C<mask_1:2>c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:2>
| 4
| 13
| 2
|
CCN(
| 2
|
O=C(N[C@@H]1CN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
N(
|
<|startoftext|><L>O=C(N[C@@H]1CCCN(c2<mask_1:2>c(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:2>
| 3
| 19
| 2
|
ccc
| 2
|
O=C(N[C@@H]1CCCN(c2scc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
sc
|
<|startoftext|><L>O=C(N[C@@H<mask_1:5>(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:5>
| 6
| 10
| 5
|
]1CCCN
| 5
|
O=C(N[C@@H]1CCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
]1CCN
|
<|startoftext|><L>O=C(<mask_1:7>@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:7>
| 3
| 4
| 7
|
N[C
| 8
|
O=C(N(CCO)[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
N(CCO)[C
|
<|startoftext|><L>O=C(N[C@@H]1CCCN(c2cccc(F)c2<mask_1:5>c1cnc(-c2ccncc2)s1<mask_1:5>
| 4
| 28
| 5
|
)C1)
| 5
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)Nc1cnc(-c2ccncc2)s1
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
)C1)N
|
<|startoftext|><L>O<mask_1:5>@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:5>
| 6
| 1
| 5
|
=C(N[C
| 5
|
O=C([C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
=C([C
|
<|startoftext|><L>O=C(N[C@@H]1CCCN(<mask_1:3>cccc(F)c2)C1)c1cnc(-c2ccncc2)s1<mask_1:3>
| 2
| 17
| 3
|
c2
| 3
|
O=C(N[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnc(-c2ccncc2)s1
|
Cc2
|
<|startoftext|><L>Cc1cnc(NC(=O)c2cc(Br)ccc2<mask_1:5>cnnn2)s1<mask_1:5>
| 3
| 25
| 5
|
-n2
| 5
|
Cc1cnc(NC(=O)c2cc(Br)ccc2OCc2ccnnn2)s1
|
Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
OCc2c
|
<|startoftext|><L><mask_1:4>c1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1<mask_1:4>
| 1
| 0
| 4
|
C
| 4
|
COCCc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
COCC
|
<|startoftext|><L>Cc1cnc(NC(=O)c2cc(Br)<mask_1:4>cc2-n2cnnn2)s1<mask_1:4>
| 1
| 21
| 4
|
c
| 4
|
Cc1cnc(NC(=O)c2cc(Br)c(C)cc2-n2cnnn2)s1
|
Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
c(C)
|
<|startoftext|><L>Cc1cnc(NC(=O)c2cc<mask_1:5>ccc2-n2cnnn2)s1<mask_1:5>
| 4
| 17
| 5
|
(Br)
| 5
|
Cc1cnc(NC(=O)c2cc(C#N)ccc2-n2cnnn2)s1
|
Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
(C#N)
|
<|startoftext|><L>Cc1cnc(NC(=O)<mask_1:5>2cc(Br)ccc2-n2cnnn2)s1<mask_1:5>
| 1
| 13
| 5
|
c
| 5
|
Cc1cnc(NC(=O)CCCOc2cc(Br)ccc2-n2cnnn2)s1
|
Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
CCCOc
|
<|startoftext|><L>Cc1cnc(NC(=O)c2cc(B<mask_1:4>2-n2cnnn2)s1<mask_1:4>
| 5
| 19
| 4
|
r)ccc
| 4
|
Cc1cnc(NC(=O)c2cc(Br)cn2-n2cnnn2)s1
|
Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
r)cn
|
<|startoftext|><L>Cc1cnc(NC<mask_1:2>c2cc(Br)ccc2-n2cnnn2)s1<mask_1:2>
| 4
| 9
| 2
|
(=O)
| 2
|
Cc1cnc(NCCNc2cc(Br)ccc2-n2cnnn2)s1
|
Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
CN
|
<|startoftext|><L>Cc1cnc(NC(=O)<mask_1:4>cc(Br)ccc2-n2cnnn2)s1<mask_1:4>
| 2
| 13
| 4
|
c2
| 4
|
Cc1cnc(NC(=O)COc2cc(Br)ccc2-n2cnnn2)s1
|
Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
COc2
|
<|startoftext|><L>Cc<mask_1:2>(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1<mask_1:2>
| 4
| 2
| 2
|
1cnc
| 2
|
Cc1c(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
1c
|
<|startoftext|><L>Cc1cnc(N<mask_1:1>c2cc(Br)ccc2-n2cnnn2)s1<mask_1:1>
| 5
| 8
| 1
|
C(=O)
| 1
|
Cc1cnc(NCc2cc(Br)ccc2-n2cnnn2)s1
|
Cc1cnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)s1
|
C
|
<|startoftext|><L>CC(=O)N1CCCCCCC<mask_1:4>N(S(=O)(=O)c2ccccc2C)Cc2ccccc21<mask_1:4>
| 1
| 15
| 4
|
C
| 4
|
CC(=O)N1CCCCCCC(=O)N(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
(=O)
|
<|startoftext|><L>CC(=O)N1CCCCCCCCN(S(=O)(=O)<mask_1:7>c2C)Cc2ccccc21<mask_1:7>
| 6
| 27
| 7
|
c2cccc
| 7
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)Cc2ccccc2C)Cc2ccccc21
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
Cc2cccc
|
<|startoftext|><L>CC(=O)N1CCCCCCCCN(S(<mask_1:2>)c2ccccc2C)Cc2ccccc21<mask_1:2>
| 6
| 20
| 2
|
=O)(=O
| 2
|
CC(=O)N1CCCCCCCCN(S(=O)c2ccccc2C)Cc2ccccc21
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
=O
|
<|startoftext|><L>CC(=O)N<mask_1:2>CCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21<mask_1:2>
| 7
| 7
| 2
|
1CCCCCC
| 2
|
CC(=O)N1CCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
1C
|
<|startoftext|><L>CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc<mask_1:5>ccccc21<mask_1:5>
| 6
| 34
| 5
|
2C)Cc2
| 5
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2)Cc2ccccc21
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
2)Cc2
|
<|startoftext|><L>C<mask_1:5>CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21<mask_1:5>
| 7
| 1
| 5
|
C(=O)N1
| 5
|
C#CCN1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
#CCN1
|
<|startoftext|><L>CC(=O)N1CCCCCCCC<mask_1:7>(=O)(=O)c2ccccc2C)Cc2ccccc21<mask_1:7>
| 3
| 16
| 7
|
N(S
| 7
|
CC(=O)N1CCCCCCCCCCCN(NS(=O)(=O)c2ccccc2C)Cc2ccccc21
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
CCCN(NS
|
<|startoftext|><L>CC(=O)N1CCCCCCCCN(<mask_1:2>O)(=O)c2ccccc2C)Cc2ccccc21<mask_1:2>
| 3
| 18
| 2
|
S(=
| 2
|
CC(=O)N1CCCCCCCCN(S(O)(=O)c2ccccc2C)Cc2ccccc21
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
S(
|
<|startoftext|><L>CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)<mask_1:3>cccc21<mask_1:3>
| 4
| 37
| 3
|
Cc2c
| 3
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)c2ccccc21
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
c2c
|
<|startoftext|><L>CC(=O)N1CCCCCCCCN(S(=O)(=O)c<mask_1:7>cc2C)Cc2ccccc21<mask_1:7>
| 4
| 28
| 7
|
2ccc
| 7
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2cc(C)ccc2C)Cc2ccccc21
|
CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccccc2C)Cc2ccccc21
|
2cc(C)c
|
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