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stringlengths 47
229
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int64 0
16
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int64 0
176
| first_mask_gen_count
int64 1
16
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stringlengths 0
16
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int64 0
19
| generated_smiles
stringlengths 10
199
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stringlengths 10
192
| generated_tokens
stringlengths 0
19
|
|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>CC(C<mask_1:5>(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1<mask_1:5>
| 1
| 4
| 5
|
)
| 5
|
CC(C)(C)C(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
)(C)C
|
<|startoftext|><L>CC(C)(O)c1ccccc1[S@@](=O)c1ccc(<mask_1:1>)cc1<mask_1:1>
| 2
| 31
| 1
|
Cl
| 1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(F)cc1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
F
|
<|startoftext|><L>CC(C)(O)c1ccccc1[S@@](=O<mask_1:4>ccc(Cl)cc1<mask_1:4>
| 3
| 24
| 4
|
)c1
| 4
|
CC(C)(O)c1ccccc1[S@@](=O)Cc1ccc(Cl)cc1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
)Cc1
|
<|startoftext|><L>C<mask_1:4>(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1<mask_1:4>
| 1
| 1
| 4
|
C
| 4
|
C[C@](C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
[C@]
|
<|startoftext|><L><mask_1:4>C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1<mask_1:4>
| 3
| 0
| 4
|
CC(
| 4
|
COC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
COC(
|
<|startoftext|><L>CC(C)(O)c1ccccc1[<mask_1:4>=O)c1ccc(Cl)cc1<mask_1:4>
| 5
| 17
| 4
|
S@@](
| 4
|
CC(C)(O)c1ccccc1[S@](=O)c1ccc(Cl)cc1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
S@](
|
<|startoftext|><L>C<mask_1:1>C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1<mask_1:1>
| 2
| 1
| 1
|
C(
| 1
|
C(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
(
|
<|startoftext|><L>CC(C)(O)c1ccccc1[S@@](=O)c1<mask_1:2>(Cl)cc1<mask_1:2>
| 3
| 27
| 2
|
ccc
| 2
|
CC(C)(O)c1ccccc1[S@@](=O)c1sc(Cl)cc1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
sc
|
<|startoftext|><L>CC(C)(O)c1cccc<mask_1:4>S@@](=O)c1ccc(Cl)cc1<mask_1:4>
| 3
| 14
| 4
|
c1[
| 4
|
CC(C)(O)c1ccccc1C[S@@](=O)c1ccc(Cl)cc1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
c1C[
|
<|startoftext|><L>CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)c<mask_1:4>c1<mask_1:4>
| 0
| 35
| 4
| 4
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)c(Cl)c1
|
CC(C)(O)c1ccccc1[S@@](=O)c1ccc(Cl)cc1
|
(Cl)
|
|
<|startoftext|><L>Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C<mask_1:2>H](O)C2)nn1<mask_1:2>
| 1
| 40
| 2
|
@
| 2
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)nn1
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
@@
|
<|startoftext|><L>Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc<mask_1:5>CC3)[C@H](O)C2)nn1<mask_1:5>
| 3
| 31
| 5
|
4F)
| 5
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)[C@H](O)C2)nn1
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
4C#N)
|
<|startoftext|><L>Cc<mask_1:5>2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1<mask_1:5>
| 6
| 2
| 5
|
1ccc(N
| 5
|
Cc1cn(C2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
1cn(C
|
<|startoftext|><L>Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[<mask_1:6>(O)C2)nn1<mask_1:6>
| 4
| 39
| 6
|
C@H]
| 6
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@](C)(O)C2)nn1
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
C@](C)
|
<|startoftext|><L>Cc1ccc(N2CC[<mask_1:1>H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1<mask_1:1>
| 3
| 12
| 1
|
C@@
| 1
|
Cc1ccc(N2CC[CH](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
C
|
<|startoftext|><L>Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4<mask_1:4>C3)[C@H](O)C2)nn1<mask_1:4>
| 3
| 32
| 4
|
F)C
| 4
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4Cl)CC3)[C@H](O)C2)nn1
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
Cl)C
|
<|startoftext|><L>Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC<mask_1:7>H](O)C2)nn1<mask_1:7>
| 5
| 36
| 7
|
3)[C@
| 6
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](O)C2)nn1
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
3)[C@@
|
<|startoftext|><L>Cc1ccc(N2CC[C@@H]<mask_1:4>N(c4ccccc4F)CC3)[C@H](O)C2)nn1<mask_1:4>
| 5
| 17
| 4
|
(N3CC
| 4
|
Cc1ccc(N2CC[C@@H](C3CN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
(C3C
|
<|startoftext|><L>Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)<mask_1:5>1<mask_1:5>
| 2
| 49
| 5
|
nn
| 5
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)c(C)n1
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
c(C)n
|
<|startoftext|><L>Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC<mask_1:3>(O)C2)nn1<mask_1:3>
| 7
| 36
| 3
|
3)[C@H]
| 3
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)C(O)C2)nn1
|
Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1
|
3)C
|
<|startoftext|><L>O=C(N=c1[nH][nH]c2c1CO<mask_1:4>)c1cccc(-c2ccccc2)n1<mask_1:4>
| 3
| 22
| 4
|
CC2
| 4
|
O=C(N=c1[nH][nH]c2c1COCC2O)c1cccc(-c2ccccc2)n1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
CC2O
|
<|startoftext|><L>O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccc<mask_1:5>n1<mask_1:5>
| 4
| 39
| 5
|
cc2)
| 5
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2cccnc2O)n1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
nc2O)
|
<|startoftext|><L>O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2cc<mask_1:4>c2)n1<mask_1:4>
| 2
| 38
| 4
|
cc
| 4
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccn(C)c2)n1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
n(C)
|
<|startoftext|><L>O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2c<mask_1:5>ccc2)n1<mask_1:5>
| 1
| 37
| 5
|
c
| 5
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2cc(Cl)ccc2)n1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
c(Cl)
|
<|startoftext|><L>O=C(<mask_1:6>N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1<mask_1:6>
| 0
| 4
| 6
| 6
|
O=C(NC(=O)N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
NC(=O)
|
|
<|startoftext|><L>O=C(N=c1[nH][nH<mask_1:3>]c2c1COCC2)c1cccc(-c2ccccc2)n1<mask_1:3>
| 0
| 15
| 3
| 4
|
O=C(N=c1[nH][nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
][nH
|
|
<|startoftext|><L>O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccc<mask_1:1>2)n1<mask_1:1>
| 2
| 39
| 1
|
cc
| 1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2cccs2)n1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
s
|
<|startoftext|><L>O=C(N=c1[nH][nH]c2<mask_1:3>C2)c1cccc(-c2ccccc2)n1<mask_1:3>
| 5
| 18
| 3
|
c1COC
| 3
|
O=C(N=c1[nH][nH]c2c1CC2)c1cccc(-c2ccccc2)n1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
c1C
|
<|startoftext|><L>O=C(N=c1[nH][nH]c2c1COCC<mask_1:3>2)c1cccc(-c2ccccc2)n1<mask_1:3>
| 0
| 24
| 3
| 3
|
O=C(N=c1[nH][nH]c2c1COCCNCC2)c1cccc(-c2ccccc2)n1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
NCC
|
|
<|startoftext|><L>O=C(N=c1[<mask_1:4>nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1<mask_1:4>
| 0
| 9
| 4
| 4
|
O=C(N=c1[nH][nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1
|
nH][
|
|
<|startoftext|><L>COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C<mask_1:2>1<mask_1:2>
| 6
| 33
| 2
|
2=O)cc
| 2
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2)1
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
2)
|
<|startoftext|><L>COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C<mask_1:2>)cc1<mask_1:2>
| 3
| 33
| 2
|
2=O
| 3
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
2=O
|
<|startoftext|><L>COc1ccc(/C=C2\Oc3cc(OC(C)<mask_1:1>c3C2=O)cc1<mask_1:1>
| 5
| 25
| 1
|
=O)cc
| 1
|
COc1ccc(/C=C2\Oc3cc(OC(C))c3C2=O)cc1
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
)
|
<|startoftext|><L>CO<mask_1:5>1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1<mask_1:5>
| 1
| 2
| 5
|
c
| 5
|
COCCCOc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
CCCOc
|
<|startoftext|><L>COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3<mask_1:6>2=O)cc1<mask_1:6>
| 1
| 32
| 6
|
C
| 6
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C(=O)C2=O)cc1
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
C(=O)C
|
<|startoftext|><L>COc1ccc(/C=C<mask_1:4>2\Oc3cc(OC(C)=O)ccc3C2=O)cc1<mask_1:4>
| 0
| 12
| 4
| 4
|
COc1ccc(/C=C/[C]2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
/[C]
|
|
<|startoftext|><L>COc1ccc(/C=C2<mask_1:1>c3cc(OC(C)=O)ccc3C2=O)cc1<mask_1:1>
| 2
| 13
| 1
|
\O
| 1
|
COc1ccc(/C=C2Cc3cc(OC(C)=O)ccc3C2=O)cc1
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
C
|
<|startoftext|><L>COc1ccc(/C=C2\Oc3cc(OC(C<mask_1:6>)=O)ccc3C2=O)cc1<mask_1:6>
| 0
| 24
| 6
| 6
|
COc1ccc(/C=C2\Oc3cc(OC(C)=CC(N)=O)ccc3C2=O)cc1
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
)=CC(N
|
|
<|startoftext|><L>COc1ccc(/C=C<mask_1:2>2\Oc3cc(OC(C)=O)ccc3C2=O)cc1<mask_1:2>
| 0
| 12
| 2
| 2
|
COc1ccc(/C=C/C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
/C
|
|
<|startoftext|><L>COc1ccc(<mask_1:3>Oc3cc(OC(C)=O)ccc3C2=O)cc1<mask_1:3>
| 6
| 8
| 3
|
/C=C2\
| 3
|
COc1ccc(N2COc3cc(OC(C)=O)ccc3C2=O)cc1
|
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1
|
N2C
|
<|startoftext|><L>CCn1nccc1C(=O<mask_1:4>H](C)[C@@H]1C[C@H]2CC[C@H]1C2<mask_1:4>
| 5
| 13
| 4
|
)N[C@
| 4
|
CCn1nccc1C(=O)N[CH](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
)N[C
|
<|startoftext|><L>CCn1nc<mask_1:6>(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2<mask_1:6>
| 4
| 6
| 6
|
cc1C
| 6
|
CCn1nccc1CNC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
cc1CNC
|
<|startoftext|><L>CCn1nccc1C(=O)N[C@H](C<mask_1:5>]1C[C@H]2CC[C@H]1C2<mask_1:5>
| 6
| 22
| 5
|
)[C@@H
| 5
|
CCn1nccc1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
)[C@H
|
<|startoftext|><L>CCn1nccc1C(=O)N<mask_1:5>)[C@@H]1C[C@H]2CC[C@H]1C2<mask_1:5>
| 7
| 15
| 5
|
[C@H](C
| 5
|
CCn1nccc1C(=O)NCCN(C)[C@@H]1C[C@H]2CC[C@H]1C2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
CCN(C
|
<|startoftext|><L>CCn1nccc1C<mask_1:2>=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2<mask_1:2>
| 1
| 10
| 2
|
(
| 2
|
CCn1nccc1CC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
C(
|
<|startoftext|><L>CCn1nccc1C(=O<mask_1:5>[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2<mask_1:5>
| 2
| 13
| 5
|
)N
| 5
|
CCn1nccc1C(=O)N(C)[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
)N(C)
|
<|startoftext|><L>CCn1nccc1C(=O)N[C@H](<mask_1:7>@@H]1C[C@H]2CC[C@H]1C2<mask_1:7>
| 4
| 21
| 7
|
C)[C
| 7
|
CCn1nccc1C(=O)N[C@H](COC)C[C@@H]1C[C@H]2CC[C@H]1C2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
COC)C[C
|
<|startoftext|><L>CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2C<mask_1:7>@H]1C2<mask_1:7>
| 3
| 38
| 7
|
C[C
| 7
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC(=O)[C@H]1C2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
C(=O)[C
|
<|startoftext|><L>CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2<mask_1:2>1C2<mask_1:2>
| 7
| 37
| 2
|
CC[C@H]
| 2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC1C2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
CC
|
<|startoftext|><L>CC<mask_1:3>1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2<mask_1:3>
| 1
| 2
| 3
|
n
| 3
|
CCCCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
CCn1nccc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
|
CCn
|
<|startoftext|><L>C[C@@H](C(=O)O)N1CCN(c2c<mask_1:1>Br)cn2)CC1<mask_1:1>
| 3
| 24
| 1
|
cc(
| 1
|
C[C@@H](C(=O)O)N1CCN(c2c(Br)cn2)CC1
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
(
|
<|startoftext|><L>C[C@@H](C(=O)O)N1CCN(<mask_1:2>2ccc(Br)cn2)CC1<mask_1:2>
| 1
| 21
| 2
|
c
| 2
|
C[C@@H](C(=O)O)N1CCN(Cc2ccc(Br)cn2)CC1
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
Cc
|
<|startoftext|><L>C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)C<mask_1:5>C1<mask_1:5>
| 0
| 35
| 5
| 5
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)C(=O)CC1
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
(=O)C
|
|
<|startoftext|><L>C[C@@H](C(=O)O)N1C<mask_1:3>(c2ccc(Br)cn2)CC1<mask_1:3>
| 2
| 18
| 3
|
CN
| 3
|
C[C@@H](C(=O)O)N1CCCN(c2ccc(Br)cn2)CC1
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
CCN
|
<|startoftext|><L>C[C@@H]<mask_1:5>O)O)N1CCN(c2ccc(Br)cn2)CC1<mask_1:5>
| 4
| 7
| 5
|
(C(=
| 5
|
C[C@@H](CC(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
(CC(=
|
<|startoftext|><L>C[<mask_1:1>H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1<mask_1:1>
| 3
| 2
| 1
|
C@@
| 1
|
C[CH](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
C
|
<|startoftext|><L>C[C@@H]<mask_1:4>(C(=O)O)N1CCN(c2ccc(Br)cn2)CC1<mask_1:4>
| 0
| 7
| 4
| 4
|
C[C@@H](N)C(C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
(N)C
|
|
<|startoftext|><L>C[C@@H](C(=O)O)<mask_1:2>N1CCN(c2ccc(Br)cn2)CC1<mask_1:2>
| 0
| 15
| 2
| 2
|
C[C@@H](C(=O)O)CCN1CCN(c2ccc(Br)cn2)CC1
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
CC
|
|
<|startoftext|><L>C[C@@H](C(=O)O)<mask_1:2>CN(c2ccc(Br)cn2)CC1<mask_1:2>
| 3
| 15
| 2
|
N1C
| 2
|
C[C@@H](C(=O)O)N1CN(c2ccc(Br)cn2)CC1
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
N1
|
<|startoftext|><L>C[C@@H](C(=O)O)N1CCN(c2c<mask_1:4>c(Br)cn2)CC1<mask_1:4>
| 1
| 24
| 4
|
c
| 4
|
C[C@@H](C(=O)O)N1CCN(c2cc(F)c(Br)cn2)CC1
|
C[C@@H](C(=O)O)N1CCN(c2ccc(Br)cn2)CC1
|
c(F)
|
<|startoftext|><L>O=C(COCc1cccc(Cl<mask_1:5>N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1<mask_1:5>
| 4
| 16
| 5
|
)c1)
| 5
|
O=C(COCc1cccc(Cl)c1F)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
)c1F)
|
<|startoftext|><L>O=C(COCc1cccc(Cl)c1)<mask_1:6>@@H]1CCC[C@@H]1N1CC[C@@H](O)C1<mask_1:6>
| 3
| 20
| 6
|
N[C
| 6
|
O=C(COCc1cccc(Cl)c1)N(C)[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
N(C)[C
|
<|startoftext|><L>O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1<mask_1:6>[C@@H](O)C1<mask_1:6>
| 4
| 38
| 6
|
N1CC
| 6
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CCOC[C@@H](O)C1
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
N1CCOC
|
<|startoftext|><L>O=C(COCc1cccc(Cl)c1)N[C@@<mask_1:4>C[C@@H]1N1CC[C@@H](O)C1<mask_1:4>
| 5
| 25
| 4
|
H]1CC
| 4
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CC[C@@H]1N1CC[C@@H](O)C1
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
H]1C
|
<|startoftext|><L>O=C(<mask_1:4>cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1<mask_1:4>
| 5
| 4
| 4
|
COCc1
| 4
|
O=C(COc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
COc1
|
<|startoftext|><L>O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1<mask_1:3>1CC[C@@H](O)C1<mask_1:3>
| 1
| 38
| 3
|
N
| 3
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1NCC1CC[C@@H](O)C1
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
NCC
|
<|startoftext|><L>O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N<mask_1:7>[C@@H](O)C1<mask_1:7>
| 3
| 39
| 7
|
1CC
| 7
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CCC(O)[C@@H](O)C1
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
1CCC(O)
|
<|startoftext|><L>O=C(COCc1cccc(Cl)c1)N[<mask_1:6>CC[C@@H]1N1CC[C@@H](O)C1<mask_1:6>
| 7
| 22
| 6
|
C@@H]1C
| 6
|
O=C(COCc1cccc(Cl)c1)N[C@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
C@H]1C
|
<|startoftext|><L>O=C(COCc1cccc(Cl)c1)N[C@@H]1<mask_1:7>CC[C@@H]1N1CC[C@@H](O)C1<mask_1:7>
| 1
| 28
| 7
|
C
| 8
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1c2ccccc2CC[C@@H]1N1CC[C@@H](O)C1
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
c2ccccc2
|
<|startoftext|><L>O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H<mask_1:6>1N1CC[C@@H](O)C1<mask_1:6>
| 1
| 36
| 6
|
]
| 6
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H](CO)C1N1CC[C@@H](O)C1
|
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1
|
](CO)C
|
<|startoftext|><L>CCCn1c(=O)n(C)c(=O)c2c(S<mask_1:4>)Nc3cc(C)on3)nc(C(C)(C)C)nc21<mask_1:4>
| 5
| 24
| 4
|
CC(=O
| 4
|
CCCn1c(=O)n(C)c(=O)c2c(SC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
C(=O
|
<|startoftext|><L>CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C<mask_1:2>C)C)nc21<mask_1:2>
| 4
| 46
| 2
|
(C)(
| 2
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(CC(C)C)nc21
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
C(
|
<|startoftext|><L>CCCn1c(=O)n<mask_1:3>c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21<mask_1:3>
| 8
| 11
| 3
|
(C)c(=O)
| 3
|
CCCn1c(=O)n(C)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
(C)
|
<|startoftext|><L>CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(<mask_1:2>C)C)nc21<mask_1:2>
| 5
| 45
| 2
|
C(C)(
| 2
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)C)nc21
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
C(
|
<|startoftext|><L>CCCn1c(=O)n<mask_1:4>=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21<mask_1:4>
| 5
| 11
| 4
|
(C)c(
| 4
|
CCCn1c(=O)n(CCC=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
(CCC
|
<|startoftext|><L>CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)N<mask_1:4>3cc(C)on3)nc(C(C)(C)C)nc21<mask_1:4>
| 1
| 31
| 4
|
c
| 4
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)N(C)c3cc(C)on3)nc(C(C)(C)C)nc21
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
(C)c
|
<|startoftext|><L>CCCn1c(=O)n(C)c(=O)c<mask_1:4>SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21<mask_1:4>
| 3
| 20
| 4
|
2c(
| 4
|
CCCn1c(=O)n(C)c(=O)c2c(CSCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
2c(C
|
<|startoftext|><L>CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc<mask_1:5>n3)nc(C(C)(C)C)nc21<mask_1:5>
| 4
| 35
| 5
|
(C)o
| 5
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cccc(C)n3)nc(C(C)(C)C)nc21
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
cc(C)
|
<|startoftext|><L>CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc<mask_1:3>(C)C)nc21<mask_1:3>
| 5
| 44
| 3
|
(C(C)
| 3
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(CC(C)C)nc21
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
(CC
|
<|startoftext|><L>CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc<mask_1:7>on3)nc(C(C)(C)C)nc21<mask_1:7>
| 6
| 32
| 7
|
3cc(C)
| 7
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(CC)on3)nc(C(C)(C)C)nc21
|
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21
|
3cc(CC)
|
<|startoftext|><L>Cc1cc(CN[C@@H](C)Cn2ccc<mask_1:3>n2)on1<mask_1:3>
| 0
| 23
| 3
| 3
|
Cc1cc(CN[C@@H](C)Cn2ccc(C)n2)on1
|
Cc1cc(CN[C@@H](C)Cn2cccn2)on1
|
(C)
|
|
<|startoftext|><L>Cc1cc(CN[C@@H]<mask_1:1>n2cccn2)on1<mask_1:1>
| 4
| 14
| 1
|
(C)C
| 1
|
Cc1cc(CN[C@@H]Cn2cccn2)on1
|
Cc1cc(CN[C@@H](C)Cn2cccn2)on1
|
C
|
<|startoftext|><L>Cc1cc<mask_1:4>[C@@H](C)Cn2cccn2)on1<mask_1:4>
| 3
| 5
| 4
|
(CN
| 4
|
Cc1cc(CNC[C@@H](C)Cn2cccn2)on1
|
Cc1cc(CN[C@@H](C)Cn2cccn2)on1
|
(CNC
|
<|startoftext|><L>Cc1c<mask_1:4>CN[C@@H](C)Cn2cccn2)on1<mask_1:4>
| 2
| 4
| 4
|
c(
| 4
|
Cc1cc(CCCN[C@@H](C)Cn2cccn2)on1
|
Cc1cc(CN[C@@H](C)Cn2cccn2)on1
|
c(CC
|
<|startoftext|><L>Cc1<mask_1:4>CN[C@@H](C)Cn2cccn2)on1<mask_1:4>
| 3
| 3
| 4
|
cc(
| 4
|
Cc1cc(CCN[C@@H](C)Cn2cccn2)on1
|
Cc1cc(CN[C@@H](C)Cn2cccn2)on1
|
cc(C
|
<|startoftext|><L>Cc1cc(C<mask_1:3>C@@H](C)Cn2cccn2)on1<mask_1:3>
| 2
| 7
| 3
|
N[
| 3
|
Cc1cc(CNC[C@@H](C)Cn2cccn2)on1
|
Cc1cc(CN[C@@H](C)Cn2cccn2)on1
|
NC[
|
<|startoftext|><L>Cc1cc(<mask_1:1>C@@H](C)Cn2cccn2)on1<mask_1:1>
| 3
| 6
| 1
|
CN[
| 1
|
Cc1cc([C@@H](C)Cn2cccn2)on1
|
Cc1cc(CN[C@@H](C)Cn2cccn2)on1
|
[
|
<|startoftext|><L>Cc1cc(CN<mask_1:2>H](C)Cn2cccn2)on1<mask_1:2>
| 4
| 8
| 2
|
[C@@
| 2
|
Cc1cc(CN[CH](C)Cn2cccn2)on1
|
Cc1cc(CN[C@@H](C)Cn2cccn2)on1
|
[C
|
<|startoftext|><L>Cc1cc(CN<mask_1:2>C@@H](C)Cn2cccn2)on1<mask_1:2>
| 1
| 8
| 2
|
[
| 2
|
Cc1cc(CNC[C@@H](C)Cn2cccn2)on1
|
Cc1cc(CN[C@@H](C)Cn2cccn2)on1
|
C[
|
<|startoftext|><L>Cc1cc(CN[C@@H](C)Cn2cccn2)<mask_1:3>1<mask_1:3>
| 2
| 26
| 3
|
on
| 3
|
Cc1cc(CN[C@@H](C)Cn2cccn2)ccn1
|
Cc1cc(CN[C@@H](C)Cn2cccn2)on1
|
ccn
|
<|startoftext|><L>COc1ccc(-c2no<mask_1:4>N)c2C(N)=O)cc1<mask_1:4>
| 2
| 13
| 4
|
c(
| 4
|
COc1ccc(-c2noc(CCN)c2C(N)=O)cc1
|
COc1ccc(-c2noc(N)c2C(N)=O)cc1
|
c(CC
|
<|startoftext|><L>COc1ccc(-c2noc(N<mask_1:1>2C(N)=O)cc1<mask_1:1>
| 2
| 16
| 1
|
)c
| 1
|
COc1ccc(-c2noc(N)2C(N)=O)cc1
|
COc1ccc(-c2noc(N)c2C(N)=O)cc1
|
)
|
<|startoftext|><L>COc1ccc(-c2no<mask_1:3>N)c2C(N)=O)cc1<mask_1:3>
| 2
| 13
| 3
|
c(
| 3
|
COc1ccc(-c2noc(CN)c2C(N)=O)cc1
|
COc1ccc(-c2noc(N)c2C(N)=O)cc1
|
c(C
|
<|startoftext|><L>COc1ccc(-c2noc(N)c2C(N)=<mask_1:3>1<mask_1:3>
| 4
| 24
| 3
|
O)cc
| 3
|
COc1ccc(-c2noc(N)c2C(N)=O)s1
|
COc1ccc(-c2noc(N)c2C(N)=O)cc1
|
O)s
|
<|startoftext|><L><mask_1:3>ccc(-c2noc(N)c2C(N)=O)cc1<mask_1:3>
| 4
| 0
| 3
|
COc1
| 3
|
Cc1ccc(-c2noc(N)c2C(N)=O)cc1
|
COc1ccc(-c2noc(N)c2C(N)=O)cc1
|
Cc1
|
<|startoftext|><L>COc1ccc(-c<mask_1:4>c(N)c2C(N)=O)cc1<mask_1:4>
| 3
| 10
| 4
|
2no
| 4
|
COc1ccc(-c2cccc(N)c2C(N)=O)cc1
|
COc1ccc(-c2noc(N)c2C(N)=O)cc1
|
2ccc
|
<|startoftext|><L>COc1ccc(-c2noc(N)c2C<mask_1:1>O)cc1<mask_1:1>
| 4
| 20
| 1
|
(N)=
| 1
|
COc1ccc(-c2noc(N)c2CCO)cc1
|
COc1ccc(-c2noc(N)c2C(N)=O)cc1
|
C
|
<|startoftext|><L>COc1cc<mask_1:4>c2noc(N)c2C(N)=O)cc1<mask_1:4>
| 3
| 6
| 4
|
c(-
| 4
|
COc1ccc(OCc2noc(N)c2C(N)=O)cc1
|
COc1ccc(-c2noc(N)c2C(N)=O)cc1
|
c(OC
|
<|startoftext|><L>COc1ccc(-c2noc(N)c2C(N<mask_1:3>cc1<mask_1:3>
| 4
| 22
| 3
|
)=O)
| 3
|
COc1ccc(-c2noc(N)c2C(N)O)cc1
|
COc1ccc(-c2noc(N)c2C(N)=O)cc1
|
)O)
|
<|startoftext|><L>COc1ccc(-c2noc(N)c2<mask_1:4>(N)=O)cc1<mask_1:4>
| 1
| 19
| 4
|
C
| 4
|
COc1ccc(-c2noc(N)c2SCCC(N)=O)cc1
|
COc1ccc(-c2noc(N)c2C(N)=O)cc1
|
SCCC
|
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