prompt
stringlengths 49
261
| first_mask_count
int64 0
16
| first_start_index
int64 0
198
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
29
| generated_smiles
stringlengths 12
233
| original_smiles
stringlengths 12
223
| generated_tokens
stringlengths 0
29
|
|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>O=S(=O)(Nc1cc<mask_1:4>O)(=O)N2CCCC2)cc1)c1cccs1<mask_1:4>
| 5
| 13
| 4
|
c(S(=
| 4
|
O=S(=O)(Nc1ccc(S(O)(=O)N2CCCC2)cc1)c1cccs1
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
c(S(
|
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=O)(=O)N2C<mask_1:4>c1)c1cccs1<mask_1:4>
| 6
| 27
| 4
|
CCC2)c
| 4
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CC2)cc1)c1cccs1
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
C2)c
|
<|startoftext|><L>O=S(=O)(Nc1ccc<mask_1:6>S(=O)(=O)N2CCCC2)cc1)c1cccs1<mask_1:6>
| 1
| 14
| 6
|
(
| 6
|
O=S(=O)(Nc1ccc(C(=S)S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
(C(=S)
|
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=<mask_1:6>)N2CCCC2)cc1)c1cccs1<mask_1:6>
| 5
| 18
| 6
|
O)(=O
| 5
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
O)(=O
|
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=O)(<mask_1:6>=O)N2CCCC2)cc1)c1cccs1<mask_1:6>
| 0
| 21
| 6
| 6
|
O=S(=O)(Nc1ccc(S(=O)(=O)CC(=O)N2CCCC2)cc1)c1cccs1
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
=O)CC(
|
|
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)<mask_1:6>1cccs1<mask_1:6>
| 5
| 32
| 6
|
cc1)c
| 6
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1cccs1
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
cc1)Cc
|
<|startoftext|><L>O=S(=O)(Nc1c<mask_1:5>S(=O)(=O)N2CCCC2)cc1)c1cccs1<mask_1:5>
| 3
| 12
| 5
|
cc(
| 5
|
O=S(=O)(Nc1ccc(CCS(=O)(=O)N2CCCC2)cc1)c1cccs1
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
cc(CC
|
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=O)(=O)N<mask_1:5>CC2)cc1)c1cccs1<mask_1:5>
| 3
| 25
| 5
|
2CC
| 5
|
O=S(=O)(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccs1
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
C2CCC
|
<|startoftext|><L>O=S(=O)(Nc1ccc(S(=O)(=O)N<mask_1:6>CCCC2)cc1)c1cccs1<mask_1:6>
| 1
| 25
| 6
|
2
| 6
|
O=S(=O)(Nc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1)c1cccs1
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
CCCN2C
|
<|startoftext|><L>O=S(=O)(Nc1<mask_1:6>(S(=O)(=O)N2CCCC2)cc1)c1cccs1<mask_1:6>
| 3
| 11
| 6
|
ccc
| 6
|
O=S(=O)(Nc1cc(F)c(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
|
cc(F)c
|
<|startoftext|><L>O=C(C<mask_1:6>1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:6>
| 5
| 5
| 6
|
[C@H]
| 6
|
O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
[C@@H]
|
<|startoftext|><L>O=C(C[C@H]<mask_1:2>CCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:2>
| 7
| 10
| 2
|
1C(=O)N
| 2
|
O=C(C[C@H]1CCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
1C
|
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1Cc<mask_1:7>Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:7>
| 8
| 23
| 7
|
1ccccc1)
| 7
|
O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)Nc1cccc(NC(=O)c2cccnc2)c1
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
1cccs1)
|
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)<mask_1:5>c2cccnc2)c1<mask_1:5>
| 0
| 45
| 5
| 5
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)/C=C/c2cccnc2)c1
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
/C=C/
|
|
<|startoftext|><L>O=C(C[C@H]<mask_1:3>NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:3>
| 6
| 10
| 3
|
1C(=O)
| 3
|
O=C(C[C@H]1CCNCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
1CC
|
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cc<mask_1:6>)c2cccnc2)c1<mask_1:6>
| 8
| 36
| 6
|
cc(NC(=O
| 6
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(C(F)c2cccnc2)c1
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
cc(C(F
|
<|startoftext|><L>O=C(C[C@H]1C(=O)N<mask_1:8>c1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:8>
| 5
| 17
| 8
|
CCN1C
| 9
|
O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
CCN1C(=O)
|
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c<mask_1:8>1<mask_1:8>
| 0
| 55
| 8
| 8
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1-n1cccn1
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
1-n1cccn
|
|
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)N<mask_1:4>c(NC(=O)c2cccnc2)c1<mask_1:4>
| 5
| 32
| 4
|
c1ccc
| 4
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1csc(NC(=O)c2cccnc2)c1
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
c1cs
|
<|startoftext|><L>O=C(C[C@H]1C(=O)NCCN1C<mask_1:8>c1)Nc1cccc(NC(=O)c2cccnc2)c1<mask_1:8>
| 6
| 22
| 8
|
c1cccc
| 8
|
O=C(C[C@H]1C(=O)NCCN1CCOc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1
|
COc1cccc
|
<|startoftext|><L>COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)c<mask_1:4>c1S(=O)(=O)N(C)C<mask_1:4>
| 0
| 40
| 4
| 4
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)c(OC)c1S(=O)(=O)N(C)C
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
(OC)
|
|
<|startoftext|><L>C<mask_1:2>c1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:2>
| 1
| 1
| 2
|
O
| 2
|
CCOc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
CO
|
<|startoftext|><L>COc1ccc<mask_1:5>O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:5>
| 4
| 7
| 5
|
(C(=
| 5
|
COc1ccc(CC(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
(CC(=
|
<|startoftext|><L>COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1<mask_1:3>)(=O)N(C)C<mask_1:3>
| 4
| 42
| 3
|
S(=O
| 3
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(C)(=O)N(C)C
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
S(C
|
<|startoftext|><L>COc1cc<mask_1:5>(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:5>
| 3
| 6
| 5
|
c(C
| 5
|
COc1ccc(OCC(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
c(OCC
|
<|startoftext|><L>C<mask_1:7>cc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:7>
| 4
| 1
| 7
|
Oc1c
| 7
|
CC(C)c1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
C(C)c1c
|
<|startoftext|><L>COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=<mask_1:8>(=O)N(C)C<mask_1:8>
| 2
| 45
| 8
|
O)
| 8
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)NC(=O)N(C)C
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
O)(=O)NC
|
<|startoftext|><L>COc<mask_1:7>C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:7>
| 5
| 3
| 7
|
1ccc(
| 7
|
COc1ccc(CCC(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
1ccc(CC
|
<|startoftext|><L>COc1ccc(C(=O)<mask_1:3>S/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C<mask_1:3>
| 4
| 13
| 3
|
N2CC
| 3
|
COc1ccc(C(=O)N2CS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
N2C
|
<|startoftext|><L>COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n<mask_1:7>)cc1S(=O)(=O)N(C)C<mask_1:7>
| 2
| 36
| 7
|
2C
| 7
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2CC(C)C)cc1S(=O)(=O)N(C)C
|
COc1ccc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc1S(=O)(=O)N(C)C
|
2CC(C)C
|
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCCN(c3c<mask_1:6>3)CC2)cc1<mask_1:6>
| 4
| 27
| 6
|
ccnn
| 6
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cnn(C)c3)CC2)cc1
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
nn(C)c
|
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn<mask_1:2>2)cc1<mask_1:2>
| 4
| 31
| 2
|
3)CC
| 2
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)2)cc1
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
3)
|
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCCN(<mask_1:6>c3cccnn3)CC2)cc1<mask_1:6>
| 0
| 24
| 6
| 6
|
CCS(=O)(=O)c1ccc(N2CCCN(C/C=C/c3cccnn3)CC2)cc1
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
C/C=C/
|
|
<|startoftext|><L>CCS(=O)(=O)c1ccc(N<mask_1:4>c3cccnn3)CC2)cc1<mask_1:4>
| 6
| 18
| 4
|
2CCCN(
| 4
|
CCS(=O)(=O)c1ccc(NC2(Nc3cccnn3)CC2)cc1
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
C2(N
|
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCC<mask_1:4>cnn3)CC2)cc1<mask_1:4>
| 6
| 22
| 4
|
N(c3cc
| 4
|
CCS(=O)(=O)c1ccc(N2CCC(n3ccnn3)CC2)cc1
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
(n3c
|
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn<mask_1:5>cc1<mask_1:5>
| 6
| 31
| 5
|
3)CC2)
| 5
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)C2)cc1
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
3)C2)
|
<|startoftext|><L>CCS(=O)(=O)c1cc<mask_1:5>CN(c3cccnn3)CC2)cc1<mask_1:5>
| 6
| 15
| 5
|
c(N2CC
| 5
|
CCS(=O)(=O)c1ccc(N2CCN(c3cccnn3)CC2)cc1
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
c(N2C
|
<|startoftext|><L>CC<mask_1:6>S(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1<mask_1:6>
| 0
| 2
| 6
| 6
|
CC(C)CCNS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
(C)CCN
|
|
<|startoftext|><L>CCS(=O)(=O)c1<mask_1:5>cc(N2CCCN(c3cccnn3)CC2)cc1<mask_1:5>
| 1
| 13
| 5
|
c
| 5
|
CCS(=O)(=O)c1c(Cl)cc(N2CCCN(c3cccnn3)CC2)cc1
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
c(Cl)
|
<|startoftext|><L>CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3<mask_1:3>C2)cc1<mask_1:3>
| 2
| 32
| 3
|
)C
| 3
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CCC2)cc1
|
CCS(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)cc1
|
)CC
|
<|startoftext|><L>CCOc1ncccc1C(=O)NC[C@<mask_1:3>CCCN(S(=O)(=O)N(C)C)C1<mask_1:3>
| 4
| 21
| 3
|
@H]1
| 3
|
CCOc1ncccc1C(=O)NC[C@H]1CCCN(S(=O)(=O)N(C)C)C1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
H]1
|
<|startoftext|><L>CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O<mask_1:7>C)C)C1<mask_1:7>
| 3
| 38
| 7
|
)N(
| 7
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)OC(C)(C)C)C1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
)OC(C)(
|
<|startoftext|><L>CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=<mask_1:2>)C1<mask_1:2>
| 7
| 37
| 2
|
O)N(C)C
| 2
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O))C1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
O)
|
<|startoftext|><L>CC<mask_1:3>c1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1<mask_1:3>
| 1
| 2
| 3
|
O
| 3
|
CCCCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
CCO
|
<|startoftext|><L>CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)<mask_1:1>)C1<mask_1:1>
| 5
| 39
| 1
|
N(C)C
| 1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)C)C1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
C
|
<|startoftext|><L>CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(<mask_1:1>)C)C1<mask_1:1>
| 6
| 36
| 1
|
=O)N(C
| 1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(C)C)C1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
C
|
<|startoftext|><L>CCOc1<mask_1:5>cc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1<mask_1:5>
| 3
| 5
| 5
|
ncc
| 5
|
CCOc1nn(C)cc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
nn(C)
|
<|startoftext|><L>CCOc1ncccc1C(=O)NC<mask_1:3>H]1CCCN(S(=O)(=O)N(C)C)C1<mask_1:3>
| 4
| 18
| 3
|
[C@@
| 3
|
CCOc1ncccc1C(=O)NC[C@H]1CCCN(S(=O)(=O)N(C)C)C1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
[C@
|
<|startoftext|><L>CCOc1ncccc1C(=O)N<mask_1:4>[C@@H]1CCCN(S(=O)(=O)N(C)C)C1<mask_1:4>
| 1
| 17
| 4
|
C
| 4
|
CCOc1ncccc1C(=O)N(C)C[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
(C)C
|
<|startoftext|><L>CC<mask_1:7>c1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1<mask_1:7>
| 1
| 2
| 7
|
O
| 7
|
CC(C)(C)Nc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
CCOc1ncccc1C(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
|
(C)(C)N
|
<|startoftext|><L><mask_1:3>CCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:3>
| 6
| 0
| 3
|
CCCN1C
| 3
|
CN1CCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
CN1
|
<|startoftext|><L><mask_1:6>1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:6>
| 4
| 0
| 6
|
CCCN
| 6
|
C[C@H]1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
C[C@H]
|
<|startoftext|><L>CCCN1CC<mask_1:4>Cn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:4>
| 0
| 7
| 4
| 4
|
CCCN1CCCCCCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
CCCC
|
|
<|startoftext|><L>CCCN1CCCn2nc(CNc3cc(CC)nc(<mask_1:5>(C)C)n3)cc2C1<mask_1:5>
| 1
| 26
| 5
|
N
| 5
|
CCCN1CCCn2nc(CNc3cc(CC)nc(NCCCN(C)C)n3)cc2C1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
NCCCN
|
<|startoftext|><L>CCCN1CCCn2nc(CNc3cc(CC)nc(N<mask_1:1>n3)cc2C1<mask_1:1>
| 5
| 27
| 1
|
(C)C)
| 1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N)n3)cc2C1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
)
|
<|startoftext|><L>CCCN1CCCn2nc(CNc3c<mask_1:5>C)nc(N(C)C)n3)cc2C1<mask_1:5>
| 3
| 18
| 5
|
c(C
| 5
|
CCCN1CCCn2nc(CNc3cc(OCCC)nc(N(C)C)n3)cc2C1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
c(OCC
|
<|startoftext|><L>CCCN1CCCn2nc(<mask_1:1>c3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:1>
| 2
| 13
| 1
|
CN
| 1
|
CCCN1CCCn2nc(-c3cc(CC)nc(N(C)C)n3)cc2C1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
-
|
<|startoftext|><L>CC<mask_1:3>Cn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:3>
| 5
| 2
| 3
|
CN1CC
| 3
|
CCN1CCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
N1C
|
<|startoftext|><L>CCCN<mask_1:4>Cn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1<mask_1:4>
| 3
| 4
| 4
|
1CC
| 4
|
CCCN1CCCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
1CCC
|
<|startoftext|><L>CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2<mask_1:3>C1<mask_1:3>
| 0
| 38
| 3
| 3
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C=CC1
|
CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1
|
C=C
|
|
<|startoftext|><L>NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)<mask_1:5>C1<mask_1:5>
| 1
| 34
| 5
|
C
| 5
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)C(=O)C1
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
C(=O)
|
<|startoftext|><L>NC(=O)CN1CCCN(c2ccnc(-<mask_1:4>cc3)n2)CC1<mask_1:4>
| 5
| 22
| 4
|
c3ccc
| 4
|
NC(=O)CN1CCCN(c2ccnc(-n3cccc3)n2)CC1
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
n3cc
|
<|startoftext|><L>NC(=O)CN1CCCN<mask_1:5>2ccnc(-c3ccccc3)n2)CC1<mask_1:5>
| 2
| 13
| 5
|
(c
| 5
|
NC(=O)CN1CCCN(CCNc2ccnc(-c3ccccc3)n2)CC1
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
(CCNc
|
<|startoftext|><L>NC(=O<mask_1:3>N1CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:3>
| 2
| 5
| 3
|
)C
| 3
|
NC(=O)CCN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
)CC
|
<|startoftext|><L>NC(=O)CN1CCCN(c2ccn<mask_1:5>-c3ccccc3)n2)CC1<mask_1:5>
| 2
| 19
| 5
|
c(
| 5
|
NC(=O)CN1CCCN(c2ccnc(NCC-c3ccccc3)n2)CC1
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
c(NCC
|
<|startoftext|><L>NC(=O)<mask_1:3>N1CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:3>
| 1
| 6
| 3
|
C
| 3
|
NC(=O)CCCN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
CCC
|
<|startoftext|><L>NC(=O<mask_1:5>CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:5>
| 4
| 5
| 5
|
)CN1
| 5
|
NC(=O)CCN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
)CCN1
|
<|startoftext|><L>N<mask_1:2>(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:2>
| 1
| 1
| 2
|
C
| 2
|
NCC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
CC
|
<|startoftext|><L>NC(=<mask_1:5>CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:5>
| 2
| 4
| 5
|
O)
| 5
|
NC(=O)COCCN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
O)COC
|
<|startoftext|><L>N<mask_1:1>CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1<mask_1:1>
| 5
| 1
| 1
|
C(=O)
| 1
|
NCCN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
NC(=O)CN1CCCN(c2ccnc(-c3ccccc3)n2)CC1
|
C
|
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)<mask_1:3>O1<mask_1:3>
| 0
| 48
| 3
| 3
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)OCCO1
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
OCC
|
|
<|startoftext|><L>CC[C@@H]1<mask_1:7>(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:7>
| 2
| 9
| 7
|
CN
| 7
|
CC[C@@H]1CN[C@H](c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
CN[C@H]
|
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2C<mask_1:7>@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:7>
| 2
| 20
| 7
|
[C
| 7
|
CC[C@@H]1CN(c2nnnn2CC(=O)[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
C(=O)[C
|
<|startoftext|><L>CC[C@@H]1CN(c<mask_1:2>n2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:2>
| 4
| 13
| 2
|
2nnn
| 2
|
CC[C@@H]1CN(c2nn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
2n
|
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](C<mask_1:5>O1<mask_1:5>
| 2
| 46
| 5
|
C)
| 5
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](C(C)C)O1
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
(C)C)
|
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2C<mask_1:7>[C@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:7>
| 0
| 20
| 7
| 7
|
CC[C@@H]1CN(c2nnnn2CC(=O)NC[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
C(=O)NC
|
|
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2<mask_1:2>@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:2>
| 3
| 19
| 2
|
C[C
| 2
|
CC[C@@H]1CN(c2nnnn2[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
[C
|
<|startoftext|><L>CC[C<mask_1:7>]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:7>
| 3
| 4
| 7
|
@@H
| 7
|
CC[C@H][C@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
@H][C@H
|
<|startoftext|><L>CC[C@@H]1CN(c2nnnn2C[C@@H](C<mask_1:5>cccn2)C[C@H](CC)O1<mask_1:5>
| 4
| 28
| 5
|
)Cn2
| 5
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Oc2ccccn2)C[C@H](CC)O1
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
)Oc2c
|
<|startoftext|><L>C<mask_1:5>]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1<mask_1:5>
| 6
| 1
| 5
|
C[C@@H
| 5
|
C[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
CC[C@@H]1CN(c2nnnn2C[C@@H](C)Cn2cccn2)C[C@H](CC)O1
|
[C@@H
|
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1COC<mask_1:5>1NC(=O)Nc1ccccc1Cl<mask_1:5>
| 6
| 25
| 5
|
[C@@H]
| 5
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Nc1ccccc1Cl
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
[C@H]
|
<|startoftext|><L><mask_1:4>C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:4>
| 3
| 0
| 4
|
CN(
| 4
|
CCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
CCN(
|
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H<mask_1:5>COC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:5>
| 2
| 20
| 5
|
]1
| 5
|
CN(C)S(=O)(=O)C[C@@H]1COCCOC[C@@H]1NC(=O)Nc1ccccc1Cl
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
]1COC
|
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc<mask_1:6>Cl<mask_1:6>
| 7
| 40
| 6
|
1ccccc1
| 6
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1sccc1Cl
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
1sccc1
|
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H<mask_1:2>OC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:2>
| 3
| 20
| 2
|
]1C
| 2
|
CN(C)S(=O)(=O)C[C@@H]1OC[C@@H]1NC(=O)Nc1ccccc1Cl
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
]1
|
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1COC[C@@H<mask_1:6>)Nc1ccccc1Cl<mask_1:6>
| 7
| 30
| 6
|
]1NC(=O
| 6
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1C(=O)Nc1ccccc1Cl
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
]1C(=O
|
<|startoftext|><L>CN(C)S(=O)(=O)<mask_1:6>@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:6>
| 4
| 14
| 6
|
C[C@
| 6
|
CN(C)S(=O)(=O)CCOC[C@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
CCOC[C
|
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1C<mask_1:1>l<mask_1:1>
| 0
| 48
| 1
| 1
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1CCl
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
C
|
|
<|startoftext|><L>CN(C)S(=O)(=O)C[C@@<mask_1:6>COC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:6>
| 3
| 19
| 6
|
H]1
| 6
|
CN(C)S(=O)(=O)C[C@@]1(CO)COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
]1(CO)
|
<|startoftext|><L>CN(C)S(=O<mask_1:2>[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl<mask_1:2>
| 6
| 9
| 2
|
)(=O)C
| 2
|
CN(C)S(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Nc1ccccc1Cl
|
)C
|
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C(=<mask_1:4>2CCCCC2)c1C<mask_1:4>
| 5
| 22
| 4
|
O)NCC
| 4
|
COC(=O)c1c(C)[nH]c(C(=O)NC2CCCCC2)c1C
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
O)NC
|
<|startoftext|><L>COC(=O)c1c<mask_1:5>[nH]c(C(=O)NCC2CCCCC2)c1C<mask_1:5>
| 3
| 10
| 5
|
(C)
| 5
|
COC(=O)c1cc(=O)[nH]c(C(=O)NCC2CCCCC2)c1C
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
c(=O)
|
<|startoftext|><L>COC(=O)c<mask_1:1>(C)[nH]c(C(=O)NCC2CCCCC2)c1C<mask_1:1>
| 2
| 8
| 1
|
1c
| 1
|
COC(=O)c1(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
1
|
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C(=O)NCC2<mask_1:1>C2)c1C<mask_1:1>
| 4
| 28
| 1
|
CCCC
| 1
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CC2)c1C
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
C
|
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C(=O)NCC<mask_1:4>CCCCC2)c1C<mask_1:4>
| 1
| 27
| 4
|
2
| 4
|
COC(=O)c1c(C)[nH]c(C(=O)NCCCOC2CCCCC2)c1C
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
COC2
|
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C<mask_1:2>)NCC2CCCCC2)c1C<mask_1:2>
| 3
| 20
| 2
|
(=O
| 2
|
COC(=O)c1c(C)[nH]c(C(C)NCC2CCCCC2)c1C
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
(C
|
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C(=O)NCC2CCC<mask_1:2>)c1C<mask_1:2>
| 3
| 31
| 2
|
CC2
| 2
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCC2)c1C
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
C2
|
<|startoftext|><L>COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC<mask_1:2>2)c1C<mask_1:2>
| 0
| 33
| 2
| 2
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCCCC2)c1C
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
CC
|
|
<|startoftext|><L>C<mask_1:5>=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C<mask_1:5>
| 3
| 1
| 5
|
OC(
| 5
|
CCCOC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
CCOC(
|
<|startoftext|><L>COC(=O)c1<mask_1:3>C)[nH]c(C(=O)NCC2CCCCC2)c1C<mask_1:3>
| 2
| 9
| 3
|
c(
| 3
|
COC(=O)c1c(CC)[nH]c(C(=O)NCC2CCCCC2)c1C
|
COC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
|
c(C
|
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