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>Cc1c<mask_1:5>c(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C<mask_1:5>
| 1
| 4
| 5
|
c
| 5
|
Cc1cc(Br)c(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
c(Br)
|
<|startoftext|><L>Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)<mask_1:1>2)cc1C<mask_1:1>
| 2
| 31
| 1
|
cc
| 2
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
cc
|
<|startoftext|><L>C<mask_1:4>1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C<mask_1:4>
| 1
| 1
| 4
|
c
| 4
|
CCCOc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
CCOc
|
<|startoftext|><L><mask_1:4>ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C<mask_1:4>
| 3
| 0
| 4
|
Cc1
| 4
|
COc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
COc1
|
<|startoftext|><L>Cc1ccc(NC(=S)N[C@<mask_1:4>)c2ccc(F)cc2)cc1C<mask_1:4>
| 5
| 17
| 4
|
@H](C
| 4
|
Cc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1C
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
H](C
|
<|startoftext|><L><mask_1:5>Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C<mask_1:5>
| 0
| 0
| 5
| 5
|
CC(C)Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
CC(C)
|
|
<|startoftext|><L>Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)<mask_1:4>c2)cc1C<mask_1:4>
| 1
| 31
| 4
|
c
| 4
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)c(F)c2)cc1C
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
c(F)
|
<|startoftext|><L>Cc1ccc(NC(=S)N[C@@H](C)c2ccc(<mask_1:2>)cc2)cc1C<mask_1:2>
| 1
| 29
| 2
|
F
| 2
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2)cc1C
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
Cl
|
<|startoftext|><L>Cc1ccc(NC(=S<mask_1:5>C@@H](C)c2ccc(F)cc2)cc1C<mask_1:5>
| 3
| 12
| 5
|
)N[
| 5
|
Cc1ccc(NC(=S)NCC[C@@H](C)c2ccc(F)cc2)cc1C
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
)NCC[
|
<|startoftext|><L>Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)<mask_1:3>2)cc1C<mask_1:3>
| 2
| 31
| 3
|
cc
| 2
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C
|
cc
|
<|startoftext|><L>CCN(C[C@@H]1CCOC1)C(=O)N[<mask_1:5>C)Cn1ccnc1<mask_1:5>
| 6
| 25
| 5
|
C@@H](
| 5
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@H](C)Cn1ccnc1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
C@H](
|
<|startoftext|><L>CCN(C[C@@H]1CCOC1)C(=O)N[C@@H]<mask_1:1>n1ccnc1<mask_1:1>
| 4
| 30
| 1
|
(C)C
| 1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H]Cn1ccnc1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
C
|
<|startoftext|><L>CCN(C[C@@H]1CCOC1)C(=O)N[<mask_1:6>@@H](C)Cn1ccnc1<mask_1:6>
| 1
| 25
| 6
|
C
| 6
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@H][C@@H](C)Cn1ccnc1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
C@H][C
|
<|startoftext|><L>CCN(C[C@@H]<mask_1:6>OC1)C(=O)N[C@@H](C)Cn1ccnc1<mask_1:6>
| 3
| 11
| 6
|
1CC
| 6
|
CCN(C[C@@H]1CC=CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
1CC=CC
|
<|startoftext|><L>CCN(C[C@@H]1CCOC1)C(=O)<mask_1:5>C@@H](C)Cn1ccnc1<mask_1:5>
| 2
| 23
| 5
|
N[
| 5
|
CCN(C[C@@H]1CCOC1)C(=O)N(C)[C@@H](C)Cn1ccnc1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
N(C)[
|
<|startoftext|><L>CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C<mask_1:4>)Cn1ccnc1<mask_1:4>
| 0
| 32
| 4
| 4
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C(C)C)Cn1ccnc1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
(C)C
|
|
<|startoftext|><L>CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)<mask_1:2>Cn1ccnc1<mask_1:2>
| 0
| 33
| 2
| 2
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)CCCn1ccnc1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
CC
|
|
<|startoftext|><L>CCN(C[C@@H]1CCOC1)C(=O)<mask_1:4>](C)Cn1ccnc1<mask_1:4>
| 6
| 23
| 4
|
N[C@@H
| 4
|
CCN(C[C@@H]1CCOC1)C(=O)[C@H](C)Cn1ccnc1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
[C@H
|
<|startoftext|><L>C<mask_1:6>C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1<mask_1:6>
| 3
| 1
| 6
|
CN(
| 6
|
C[C@H](C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
[C@H](
|
<|startoftext|><L>CCN(C[C@@H<mask_1:4>C1)C(=O)N[C@@H](C)Cn1ccnc1<mask_1:4>
| 5
| 10
| 4
|
]1CCO
| 4
|
CCN(C[C@@H]1CCC1)C(=O)N[C@@H](C)Cn1ccnc1
|
CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
|
]1CC
|
<|startoftext|><L><mask_1:2>c1c(Br)c(C(=O)NCc2ccccn2)nn1C<mask_1:2>
| 1
| 0
| 2
|
C
| 2
|
COc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
CO
|
<|startoftext|><L>Cc1c(Br)c(C(=O)NCc<mask_1:3>cn2)nn1C<mask_1:3>
| 4
| 18
| 3
|
2ccc
| 3
|
Cc1c(Br)c(C(=O)NCc2cscn2)nn1C
|
Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
2cs
|
<|startoftext|><L>Cc1c(Br)<mask_1:4>C(=O)NCc2ccccn2)nn1C<mask_1:4>
| 2
| 8
| 4
|
c(
| 4
|
Cc1c(Br)c(SCC(=O)NCc2ccccn2)nn1C
|
Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
c(SC
|
<|startoftext|><L>Cc1c(Br)c(C(=O)N<mask_1:2>cccn2)nn1C<mask_1:2>
| 4
| 16
| 2
|
Cc2c
| 2
|
Cc1c(Br)c(C(=O)Nn2cccn2)nn1C
|
Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
n2
|
<|startoftext|><L>Cc1c(Br)c(C(=<mask_1:2>c2ccccn2)nn1C<mask_1:2>
| 4
| 13
| 2
|
O)NC
| 2
|
Cc1c(Br)c(C(=O)c2ccccn2)nn1C
|
Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
O)
|
<|startoftext|><L>Cc1c(Br)c(C(=O)<mask_1:4>c2ccccn2)nn1C<mask_1:4>
| 2
| 15
| 4
|
NC
| 4
|
Cc1c(Br)c(C(=O)N(C)c2ccccn2)nn1C
|
Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
N(C)
|
<|startoftext|><L>Cc1c(Br)c(C<mask_1:4>O)NCc2ccccn2)nn1C<mask_1:4>
| 2
| 11
| 4
|
(=
| 4
|
Cc1c(Br)c(CCC(=O)NCc2ccccn2)nn1C
|
Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
CC(=
|
<|startoftext|><L>Cc1c(Br)c(C(=O)NC<mask_1:2>2ccccn2)nn1C<mask_1:2>
| 1
| 17
| 2
|
c
| 2
|
Cc1c(Br)c(C(=O)NCCc2ccccn2)nn1C
|
Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
Cc
|
<|startoftext|><L><mask_1:4>Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C<mask_1:4>
| 0
| 0
| 4
| 4
|
CCCCCc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
CCCC
|
|
<|startoftext|><L>Cc1<mask_1:3>Br)c(C(=O)NCc2ccccn2)nn1C<mask_1:3>
| 2
| 3
| 3
|
c(
| 3
|
Cc1c(BBr)c(C(=O)NCc2ccccn2)nn1C
|
Cc1c(Br)c(C(=O)NCc2ccccn2)nn1C
|
c(B
|
<|startoftext|><L>O=C(Nc1ccc(C(=O)NC<mask_1:6>ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1<mask_1:6>
| 2
| 18
| 6
|
c2
| 6
|
O=C(Nc1ccc(C(=O)NC(=O)c2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
(=O)c2
|
<|startoftext|><L>O=C(Nc1ccc<mask_1:3>C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1<mask_1:3>
| 1
| 10
| 3
|
(
| 3
|
O=C(Nc1ccc(CNC(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
(CN
|
<|startoftext|><L>O=C(Nc1ccc(C(=O)NCc2ccnc(N3CC<mask_1:5>c2)c(O)c1)c1ccc(Cl)c(Cl)c1<mask_1:5>
| 4
| 29
| 5
|
CC3)
| 5
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
CCC3)
|
<|startoftext|><L>O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCC<mask_1:8>)c(O)c1)c1ccc(Cl)c(Cl)c1<mask_1:8>
| 5
| 30
| 8
|
C3)c2
| 8
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3=O)c2C)c(O)c1)c1ccc(Cl)c(Cl)c1
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
C3=O)c2C
|
<|startoftext|><L>O=C(Nc1ccc(C(=O)NCc2ccnc<mask_1:5>N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1<mask_1:5>
| 1
| 24
| 5
|
(
| 5
|
O=C(Nc1ccc(C(=O)NCc2ccnc(OCCCN3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
(OCCC
|
<|startoftext|><L>O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)<mask_1:7>)c1<mask_1:7>
| 4
| 52
| 7
|
c(Cl
| 7
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(C(F)F)c1
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
c(C(F)F
|
<|startoftext|><L>O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1<mask_1:8>c(Cl)c(Cl)c1<mask_1:8>
| 2
| 45
| 8
|
cc
| 9
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1cc(C(F)F)c(Cl)c(Cl)c1
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
cc(C(F)F)
|
<|startoftext|><L>O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c<mask_1:7>)c1ccc(Cl)c(Cl)c1<mask_1:7>
| 8
| 34
| 7
|
2)c(O)c1
| 7
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cc1Cl)c1ccc(Cl)c(Cl)c1
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
2)cc1Cl
|
<|startoftext|><L>O=C(Nc1ccc(C(=<mask_1:8>Cc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1<mask_1:8>
| 3
| 14
| 8
|
O)N
| 8
|
O=C(Nc1ccc(C(=O)N(CCO)Cc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
O)N(CCO)
|
<|startoftext|><L>O=C<mask_1:7>cc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1<mask_1:7>
| 5
| 3
| 7
|
(Nc1c
| 7
|
O=C(NCCc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
O=C(Nc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)c(O)c1)c1ccc(Cl)c(Cl)c1
|
(NCCc1c
|
<|startoftext|><L>Cc1cccc2<mask_1:3>C(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12<mask_1:3>
| 5
| 8
| 3
|
c(CCN
| 3
|
Cc1cccc2c(NC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
c(N
|
<|startoftext|><L>Cc1cccc2c(<mask_1:6>NC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12<mask_1:6>
| 2
| 10
| 6
|
CC
| 6
|
Cc1cccc2c(CC(=O)NC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
CC(=O)
|
<|startoftext|><L>Cc1cccc2c(CCNC(=<mask_1:5>C@H]3C[C@H]3C(=O)O)c[nH]c12<mask_1:5>
| 3
| 16
| 5
|
O)[
| 5
|
Cc1cccc2c(CCNC(=O)NC[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
O)NC[
|
<|startoftext|><L>Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c<mask_1:2>]c12<mask_1:2>
| 3
| 39
| 2
|
[nH
| 3
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
[nH
|
<|startoftext|><L>Cc1cccc2c(CC<mask_1:5>=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12<mask_1:5>
| 3
| 12
| 5
|
NC(
| 5
|
Cc1cccc2c(CCCCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
CCNC(
|
<|startoftext|><L>Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3<mask_1:5>O)O)c[nH]c12<mask_1:5>
| 3
| 31
| 5
|
C(=
| 5
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3CCC(=O)O)c[nH]c12
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
CCC(=
|
<|startoftext|><L>Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c<mask_1:3>[nH]c12<mask_1:3>
| 0
| 39
| 3
| 3
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c(C)[nH]c12
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
(C)
|
|
<|startoftext|><L>Cc1cccc2c(CCNC(=O)<mask_1:4>C[C@H]3C(=O)O)c[nH]c12<mask_1:4>
| 6
| 18
| 4
|
[C@H]3
| 4
|
Cc1cccc2c(CCNC(=O)N3CCC[C@H]3C(=O)O)c[nH]c12
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
N3CC
|
<|startoftext|><L>Cc1cccc2c(CC<mask_1:2>NC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12<mask_1:2>
| 0
| 12
| 2
| 2
|
Cc1cccc2c(CCCCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
CC
|
|
<|startoftext|><L>Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)<mask_1:3>]c12<mask_1:3>
| 6
| 36
| 3
|
O)c[nH
| 3
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O))[n]c12
|
Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c[nH]c12
|
)[n
|
<|startoftext|><L>N#Cc1cc([N+](=O)[O-])ccc1NC<mask_1:3>1CCN(Cc2ccccc2)CC1<mask_1:3>
| 2
| 27
| 3
|
CN
| 3
|
N#Cc1cc([N+](=O)[O-])ccc1NCCCN1CCN(Cc2ccccc2)CC1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
CCN
|
<|startoftext|><L>N#Cc1c<mask_1:6>N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1<mask_1:6>
| 3
| 6
| 6
|
c([
| 6
|
N#Cc1c(N)c([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
(N)c([
|
<|startoftext|><L>N#Cc1cc([N+](=O)[O-])c<mask_1:5>N1CCN(Cc2ccccc2)CC1<mask_1:5>
| 6
| 22
| 5
|
cc1NCC
| 5
|
N#Cc1cc([N+](=O)[O-])ccc1NCN1CCN(Cc2ccccc2)CC1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
cc1NC
|
<|startoftext|><L>N#<mask_1:6>c1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1<mask_1:6>
| 1
| 2
| 6
|
C
| 6
|
N#C/C=C/c1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
C/C=C/
|
<|startoftext|><L>N#Cc1cc([N<mask_1:2>](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1<mask_1:2>
| 1
| 10
| 2
|
+
| 1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
+
|
<|startoftext|><L>N#Cc1cc([N+](=O)[O-])<mask_1:7>NCCN1CCN(Cc2ccccc2)CC1<mask_1:7>
| 4
| 21
| 7
|
ccc1
| 7
|
N#Cc1cc([N+](=O)[O-])ccc1NCCNCCN1CCN(Cc2ccccc2)CC1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
ccc1NCC
|
<|startoftext|><L>N#Cc1cc([N+](=O)[O-])<mask_1:3>NCCN1CCN(Cc2ccccc2)CC1<mask_1:3>
| 4
| 21
| 3
|
ccc1
| 3
|
N#Cc1cc([N+](=O)[O-])sc1NCCN1CCN(Cc2ccccc2)CC1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
sc1
|
<|startoftext|><L>N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2c<mask_1:7>c2)CC1<mask_1:7>
| 3
| 38
| 7
|
ccc
| 7
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccc(Cl)cc2)CC1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
cc(Cl)c
|
<|startoftext|><L>N#<mask_1:3>c1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1<mask_1:3>
| 1
| 2
| 3
|
C
| 3
|
N#CCOc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
CCO
|
<|startoftext|><L>N#Cc1<mask_1:5>[N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1<mask_1:5>
| 3
| 5
| 5
|
cc(
| 5
|
N#Cc1cc(OC[N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(Cc2ccccc2)CC1
|
cc(OC
|
<|startoftext|><L>O=C(c1coc(CC2CC2)n<mask_1:3>N1CCC[C@H]1Cn1ccnn1<mask_1:3>
| 2
| 18
| 3
|
1)
| 3
|
O=C(c1coc(CC2CC2)n1)NN1CCC[C@H]1Cn1ccnn1
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
1)N
|
<|startoftext|><L>O=C(c1c<mask_1:5>C2CC2)n1)N1CCC[C@H]1Cn1ccnn1<mask_1:5>
| 4
| 7
| 5
|
oc(C
| 5
|
O=C(c1cccc(OC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
ccc(O
|
<|startoftext|><L><mask_1:1>C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1<mask_1:1>
| 2
| 0
| 1
|
O=
| 1
|
CC(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
C
|
<|startoftext|><L>O=C(c1coc(CC2CC<mask_1:2>2)n1)N1CCC[C@H]1Cn1ccnn1<mask_1:2>
| 0
| 15
| 2
| 2
|
O=C(c1coc(CC2CCCC2)n1)N1CCC[C@H]1Cn1ccnn1
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
CC
|
|
<|startoftext|><L>O=C(c1coc(CC2CC2)n1)N1CC<mask_1:4>[C@H]1Cn1ccnn1<mask_1:4>
| 1
| 24
| 4
|
C
| 4
|
O=C(c1coc(CC2CC2)n1)N1CCCCCC[C@H]1Cn1ccnn1
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
CCCC
|
<|startoftext|><L>O=C(c1coc(CC2CC2)n1)<mask_1:4>[C@H]1Cn1ccnn1<mask_1:4>
| 5
| 20
| 4
|
N1CCC
| 4
|
O=C(c1coc(CC2CC2)n1)N1CC[C@H]1Cn1ccnn1
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
N1CC
|
<|startoftext|><L>O=C(c1coc(CC2CC2)n1)<mask_1:2>N1CCC[C@H]1Cn1ccnn1<mask_1:2>
| 0
| 20
| 2
| 2
|
O=C(c1coc(CC2CC2)n1)NCN1CCC[C@H]1Cn1ccnn1
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
NC
|
|
<|startoftext|><L>O=C(c1coc(CC2CC2)n1)<mask_1:5>CCC[C@H]1Cn1ccnn1<mask_1:5>
| 2
| 20
| 5
|
N1
| 5
|
O=C(c1coc(CC2CC2)n1)N1CCCCCC[C@H]1Cn1ccnn1
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
N1CCC
|
<|startoftext|><L>O=C(c1coc(CC2CC2)n1)<mask_1:4>CC[C@H]1Cn1ccnn1<mask_1:4>
| 3
| 20
| 4
|
N1C
| 4
|
O=C(c1coc(CC2CC2)n1)N1CCCC[C@H]1Cn1ccnn1
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
N1CC
|
<|startoftext|><L>O=C(c1coc(CC2CC2)n1)N1CCC[C@H<mask_1:5>Cn1ccnn1<mask_1:5>
| 2
| 29
| 5
|
]1
| 5
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1COCCn1ccnn1
|
O=C(c1coc(CC2CC2)n1)N1CCC[C@H]1Cn1ccnn1
|
]1COC
|
<|startoftext|><L>O=C(Nc1cn<mask_1:2>c1)c1cnc2ccccc2n1<mask_1:2>
| 1
| 9
| 2
|
o
| 2
|
O=C(Nc1cncnc1)c1cnc2ccccc2n1
|
O=C(Nc1cnoc1)c1cnc2ccccc2n1
|
cn
|
<|startoftext|><L>O=C(Nc1cnoc<mask_1:2>)c1cnc2ccccc2n1<mask_1:2>
| 1
| 11
| 2
|
1
| 2
|
O=C(Nc1cnoc1S)c1cnc2ccccc2n1
|
O=C(Nc1cnoc1)c1cnc2ccccc2n1
|
1S
|
<|startoftext|><L>O=C(Nc1cnoc1)c1cn<mask_1:1>ccccc2n1<mask_1:1>
| 2
| 17
| 1
|
c2
| 1
|
O=C(Nc1cnoc1)c1cn2ccccc2n1
|
O=C(Nc1cnoc1)c1cnc2ccccc2n1
|
2
|
<|startoftext|><L>O=C(Nc1cnoc1<mask_1:2>c1cnc2ccccc2n1<mask_1:2>
| 1
| 12
| 2
|
)
| 2
|
O=C(Nc1cnoc1)Nc1cnc2ccccc2n1
|
O=C(Nc1cnoc1)c1cnc2ccccc2n1
|
)N
|
<|startoftext|><L>O=C(Nc1cnoc1)c1<mask_1:4>c2ccccc2n1<mask_1:4>
| 2
| 15
| 4
|
cn
| 4
|
O=C(Nc1cnoc1)c1[nH]c2ccccc2n1
|
O=C(Nc1cnoc1)c1cnc2ccccc2n1
|
[nH]
|
<|startoftext|><L>O=<mask_1:3>(Nc1cnoc1)c1cnc2ccccc2n1<mask_1:3>
| 1
| 2
| 3
|
C
| 3
|
O=C=C(Nc1cnoc1)c1cnc2ccccc2n1
|
O=C(Nc1cnoc1)c1cnc2ccccc2n1
|
C=C
|
<|startoftext|><L>O=C(Nc1cnoc1)c1cnc2ccc<mask_1:1>2n1<mask_1:1>
| 2
| 22
| 1
|
cc
| 1
|
O=C(Nc1cnoc1)c1cnc2cccn2n1
|
O=C(Nc1cnoc1)c1cnc2ccccc2n1
|
n
|
<|startoftext|><L>O=C(<mask_1:3>noc1)c1cnc2ccccc2n1<mask_1:3>
| 4
| 4
| 3
|
Nc1c
| 3
|
O=C(c1cnoc1)c1cnc2ccccc2n1
|
O=C(Nc1cnoc1)c1cnc2ccccc2n1
|
c1c
|
<|startoftext|><L>O=C(Nc1c<mask_1:3>c1)c1cnc2ccccc2n1<mask_1:3>
| 2
| 8
| 3
|
no
| 3
|
O=C(Nc1ccccc1)c1cnc2ccccc2n1
|
O=C(Nc1cnoc1)c1cnc2ccccc2n1
|
ccc
|
<|startoftext|><L>O=C(N<mask_1:4>noc1)c1cnc2ccccc2n1<mask_1:4>
| 3
| 5
| 4
|
c1c
| 4
|
O=C(NCc1cnoc1)c1cnc2ccccc2n1
|
O=C(Nc1cnoc1)c1cnc2ccccc2n1
|
Cc1c
|
<|startoftext|><L>CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc<mask_1:2>ccc1C(=O)N1CCCC1<mask_1:2>
| 0
| 33
| 2
| 2
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccccc1C(=O)N1CCCC1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
cc
|
|
<|startoftext|><L>CC[C@@H](Oc1ccc(OC)cc1)C(=O)<mask_1:6>ccc1C(=O)N1CCCC1<mask_1:6>
| 5
| 28
| 6
|
Nc1cc
| 6
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1C(=O)N1CCCC1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
NCc1cc
|
<|startoftext|><L>CC[C@@H](Oc1ccc(OC)cc1)C(=<mask_1:6>c1ccccc1C(=O)N1CCCC1<mask_1:6>
| 3
| 26
| 6
|
O)N
| 6
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccccc1C(=O)N1CCCC1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
O)NCCO
|
<|startoftext|><L>CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O<mask_1:6>CC1<mask_1:6>
| 5
| 41
| 6
|
)N1CC
| 6
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
)N1CCC
|
<|startoftext|><L>CC[C@@H](Oc1cc<mask_1:6>)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1<mask_1:6>
| 4
| 14
| 6
|
c(OC
| 6
|
CC[C@@H](Oc1ccc(CC#N)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
c(CC#N
|
<|startoftext|><L>CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC<mask_1:1>1<mask_1:1>
| 0
| 48
| 1
| 1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
C
|
|
<|startoftext|><L>CC[C@@H<mask_1:7>(Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1<mask_1:7>
| 1
| 7
| 7
|
]
| 7
|
CC[C@@H](C#N)C(Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
](C#N)C
|
<|startoftext|><L>CC[C@@H](<mask_1:2>(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1<mask_1:2>
| 6
| 9
| 2
|
Oc1ccc
| 2
|
CC[C@@H](c1(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
c1
|
<|startoftext|><L>CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N<mask_1:4>1CCCC1<mask_1:4>
| 0
| 43
| 4
| 4
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NCCCN1CCCC1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
CCCN
|
|
<|startoftext|><L>CC[C@@H](Oc1ccc(OC)cc1)C<mask_1:3>1ccccc1C(=O)N1CCCC1<mask_1:3>
| 6
| 24
| 3
|
(=O)Nc
| 3
|
CC[C@@H](Oc1ccc(OC)cc1)CSCc1ccccc1C(=O)N1CCCC1
|
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1
|
SCc
|
<|startoftext|><L>CN(C(=O)c1ccccn1)<mask_1:2>N(c2ccccn2)CC1<mask_1:2>
| 4
| 17
| 2
|
C1CC
| 2
|
CN(C(=O)c1ccccn1)C1N(c2ccccn2)CC1
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
C1
|
<|startoftext|><L>CN(C(=O)c1ccccn1)C1CCN(c2cc<mask_1:4>cn2)CC1<mask_1:4>
| 1
| 27
| 4
|
c
| 4
|
CN(C(=O)c1ccccn1)C1CCN(c2ccc(F)cn2)CC1
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
c(F)
|
<|startoftext|><L>CN(C(=O)c1ccccn1)C1C<mask_1:2>c2ccccn2)CC1<mask_1:2>
| 3
| 20
| 2
|
CN(
| 2
|
CN(C(=O)c1ccccn1)C1CN(c2ccccn2)CC1
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
N(
|
<|startoftext|><L>CN(C(=O)c1ccccn1)C1CCN(c2ccccn2<mask_1:2>1<mask_1:2>
| 3
| 31
| 2
|
)CC
| 2
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)C1
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
)C
|
<|startoftext|><L>CN(C(=O)c1ccccn1)C1CCN(c2c<mask_1:4>ccn2)CC1<mask_1:4>
| 1
| 26
| 4
|
c
| 4
|
CN(C(=O)c1ccccn1)C1CCN(c2cc(F)ccn2)CC1
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
c(F)
|
<|startoftext|><L>CN(C(=O)c1ccccn1)<mask_1:3>C1CCN(c2ccccn2)CC1<mask_1:3>
| 0
| 17
| 3
| 3
|
CN(C(=O)c1ccccn1)CCCC1CCN(c2ccccn2)CC1
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
CCC
|
|
<|startoftext|><L><mask_1:4>N(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1<mask_1:4>
| 1
| 0
| 4
|
C
| 4
|
COCCN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
COCC
|
<|startoftext|><L>CN(C(=O)c1ccccn1)C1CCN(c2ccc<mask_1:5>n2)CC1<mask_1:5>
| 1
| 28
| 5
|
c
| 5
|
CN(C(=O)c1ccccn1)C1CCN(c2cccc(Cl)n2)CC1
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
c(Cl)
|
<|startoftext|><L>CN(C(=O)c1ccccn1<mask_1:5>1CCN(c2ccccn2)CC1<mask_1:5>
| 2
| 16
| 5
|
)C
| 5
|
CN(C(=O)c1ccccn1)[C@]1CCN(c2ccccn2)CC1
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
)[C@]
|
<|startoftext|><L>CN(C(=O)c1ccccn1)C1CCN(c2<mask_1:4>2)CC1<mask_1:4>
| 5
| 25
| 4
|
ccccn
| 4
|
CN(C(=O)c1ccccn1)C1CCN(c2nccs2)CC1
|
CN(C(=O)c1ccccn1)C1CCN(c2ccccn2)CC1
|
nccs
|
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