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>C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c<mask_1:4>CCO3)oc2ccccc12<mask_1:4>
3
43
4
2)O
4
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCCO3)oc2ccccc12
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
2)OC
<|startoftext|><L>C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCC<mask_1:4>)oc2ccccc12<mask_1:4>
2
48
4
O3
4
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCCCO3)oc2ccccc12
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
CCO3
<|startoftext|><L>C[C@@H<mask_1:8>](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12<mask_1:8>
0
6
8
8
C[C@@H](O)[C@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
](O)[C@H
<|startoftext|><L>C[C@@H](Oc1cc<mask_1:5>)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12<mask_1:5>
4
13
5
ccc1
5
C[C@@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
ccc1F
<|startoftext|><L>C[C@@H](Oc1cccc<mask_1:5>)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12<mask_1:5>
7
15
5
c1)C(=O
5
C[C@@H](Oc1ccccc1C=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
c1C=O
<|startoftext|><L>C[C@@H](Oc1c<mask_1:2>)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12<mask_1:2>
5
12
2
cccc1
2
C[C@@H](Oc1cs1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
s1
<|startoftext|><L>C[C@@H](Oc1ccccc1)C(=O)Nc1c(C<mask_1:6>O)Nc2ccc3c(c2)OCCO3)oc2ccccc12<mask_1:6>
2
29
6
(=
6
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)C(O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
(=O)C(
<|startoftext|><L>C[C@@H](Oc1ccccc<mask_1:9>Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12<mask_1:9>
7
16
9
1)C(=O)
9
C[C@@H](Oc1ccccc1F)C(=O)CNc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
1F)C(=O)C
<|startoftext|><L>C[C@@H](Oc1c<mask_1:8>1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12<mask_1:8>
4
12
8
cccc
8
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
ccc(Cl)c
<|startoftext|><L>C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(<mask_1:5>O3)oc2ccccc12<mask_1:5>
6
42
5
c2)OCC
5
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12
C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12
c2)OC
<|startoftext|><L>C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1c<mask_1:2>c1<mask_1:2>
3
41
2
ccc
2
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccoc1
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
co
<|startoftext|><L>C[C@H](NC(=O)C(=<mask_1:3>C@](C)(O)c1ccco1)c1ccccc1<mask_1:3>
5
16
3
O)NC[
3
C[C@H](NC(=O)C(=O)[C@](C)(O)c1ccco1)c1ccccc1
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
O)[
<|startoftext|><L><mask_1:5>C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1<mask_1:5>
2
0
5
C[
5
CSCC[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
CSCC[
<|startoftext|><L>C[C@H](NC(=O)C(=O)NC[C@](C)(O)<mask_1:4>ccco1)c1ccccc1<mask_1:4>
2
30
4
c1
4
C[C@H](NC(=O)C(=O)NC[C@](C)(O)CCc1ccco1)c1ccccc1
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
CCc1
<|startoftext|><L>C[C@H](NC(=O)C(=O)N<mask_1:1>(C)(O)c1ccco1)c1ccccc1<mask_1:1>
5
19
1
C[C@]
1
C[C@H](NC(=O)C(=O)NC(C)(O)c1ccco1)c1ccccc1
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
C
<|startoftext|><L>C[C@H](NC(=<mask_1:6>O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1<mask_1:6>
0
11
6
5
C[C@H](NC(=O)C(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
O)C(=
<|startoftext|><L>C[C@H](NC(=O)C(=O)N<mask_1:2>C[C@](C)(O)c1ccco1)c1ccccc1<mask_1:2>
0
19
2
2
C[C@H](NC(=O)C(=O)NCCC[C@](C)(O)c1ccco1)c1ccccc1
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
CC
<|startoftext|><L>C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1<mask_1:5>co1)c1ccccc1<mask_1:5>
2
32
5
cc
5
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1cc(O)co1)c1ccccc1
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
cc(O)
<|startoftext|><L>C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)<mask_1:6>1ccccc1<mask_1:6>
1
38
6
c
6
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)C(=O)c1ccccc1
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
C(=O)c
<|startoftext|><L>C[C@H](NC(=O)C(=O)NC[C<mask_1:5>)(O)c1ccco1)c1ccccc1<mask_1:5>
4
22
5
@](C
5
C[C@H](NC(=O)C(=O)NC[C@@](C)(O)c1ccco1)c1ccccc1
C[C@H](NC(=O)C(=O)NC[C@](C)(O)c1ccco1)c1ccccc1
@@](C
<|startoftext|><L>Cc1ccc(C)c(NC(=O)[C@@H](<mask_1:4>2ccccc2)NS(=O)(=O)c2ccccc2)c1<mask_1:4>
2
24
4
Cc
4
Cc1ccc(C)c(NC(=O)[C@@H](CSCc2ccccc2)NS(=O)(=O)c2ccccc2)c1
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
CSCc
<|startoftext|><L>Cc1ccc(C)c(NC(=O)[C@@H](Cc2<mask_1:5>)NS(=O)(=O)c2ccccc2)c1<mask_1:5>
6
27
5
ccccc2
5
Cc1ccc(C)c(NC(=O)[C@@H](Cc2cccs2)NS(=O)(=O)c2ccccc2)c1
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
cccs2
<|startoftext|><L>Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc<mask_1:3>1<mask_1:3>
4
50
3
c2)c
4
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
c2)c
<|startoftext|><L>Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=<mask_1:8>cccc2)c1<mask_1:8>
5
42
8
O)c2c
8
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(F)cccc2)c1
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
O)c2c(F)
<|startoftext|><L><mask_1:5>Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1<mask_1:5>
0
0
5
5
CC(C)Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
CC(C)
<|startoftext|><L>Cc1ccc(C)c(NC(=O)[C@@H](<mask_1:3>c2ccccc2)NS(=O)(=O)c2ccccc2)c1<mask_1:3>
1
24
3
C
3
Cc1ccc(C)c(NC(=O)[C@@H](CSCc2ccccc2)NS(=O)(=O)c2ccccc2)c1
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
CSC
<|startoftext|><L>Cc1ccc(C)c(NC(=O<mask_1:5>C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1<mask_1:5>
2
16
5
)[
5
Cc1ccc(C)c(NC(=O)COC[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
)COC[
<|startoftext|><L>Cc1<mask_1:7>c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1<mask_1:7>
6
3
7
ccc(C)
7
Cc1cc(Br)cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
cc(Br)c
<|startoftext|><L>Cc1ccc(C)c(NC(=O<mask_1:3>(Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1<mask_1:3>
7
16
3
)[C@@H]
3
Cc1ccc(C)c(NC(=O)CN(Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
)CN
<|startoftext|><L>Cc1ccc(C)c(NC(=O)[C@@H](Cc2cccc<mask_1:5>2)NS(=O)(=O)c2ccccc2)c1<mask_1:5>
1
31
5
c
5
Cc1ccc(C)c(NC(=O)[C@@H](Cc2cccc(Cl)c2)NS(=O)(=O)c2ccccc2)c1
Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1
(Cl)c
<|startoftext|><L>COC[C@@H]1CCN(C(=O<mask_1:5>nn(CC(F)(F)F)cc2Cl)C1<mask_1:5>
4
18
5
)Nc2
5
COC[C@@H]1CCN(C(=O)NCc2nn(CC(F)(F)F)cc2Cl)C1
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
)NCc2
<|startoftext|><L>COC[C@@H]<mask_1:2>N(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1<mask_1:2>
3
9
2
1CC
2
COC[C@@H]1CN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
1C
<|startoftext|><L>COC<mask_1:1>1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1<mask_1:1>
6
3
1
[C@@H]
1
COCC1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
C
<|startoftext|><L>COC[C@@H]1C<mask_1:4>N(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1<mask_1:4>
1
11
4
C
4
COC[C@@H]1C(=O)N(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
(=O)
<|startoftext|><L>COC[C@@H]1CCN(C(=O<mask_1:5>2nn(CC(F)(F)F)cc2Cl)C1<mask_1:5>
3
18
5
)Nc
5
COC[C@@H]1CCN(C(=O)NCCc2nn(CC(F)(F)F)cc2Cl)C1
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
)NCCc
<|startoftext|><L>COC[C@@H]1CCN(C<mask_1:3>Nc2nn(CC(F)(F)F)cc2Cl)C1<mask_1:3>
4
15
3
(=O)
3
COC[C@@H]1CCN(CCCCNc2nn(CC(F)(F)F)cc2Cl)C1
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
CCC
<|startoftext|><L>COC[C@@H]1CCN(C(=O)Nc2nn(<mask_1:3>F)F)cc2Cl)C1<mask_1:3>
6
25
3
CC(F)(
3
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)F)cc2Cl)C1
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
CC(
<|startoftext|><L>COC[C@@H]1CCN(<mask_1:6>)Nc2nn(CC(F)(F)F)cc2Cl)C1<mask_1:6>
4
14
6
C(=O
6
COC[C@@H]1CCN(CCC(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
CCC(=O
<|startoftext|><L>COC[C@@H]1CCN(C(<mask_1:3>c2nn(CC(F)(F)F)cc2Cl)C1<mask_1:3>
4
16
3
=O)N
3
COC[C@@H]1CCN(C(=O)c2nn(CC(F)(F)F)cc2Cl)C1
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
=O)
<|startoftext|><L>COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F<mask_1:3>cc2Cl)C1<mask_1:3>
1
34
3
)
3
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cccc2Cl)C1
COC[C@@H]1CCN(C(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1
)cc
<|startoftext|><L>CCOc1ccc(C(<mask_1:6>cc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1<mask_1:6>
8
11
6
=O)Nc2cc
6
CCOc1ccc(C(=O)n2ccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
=O)n2c
<|startoftext|><L>CCOc1ccc(C(=O)Nc2cccc(C(<mask_1:6>O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1<mask_1:6>
1
24
6
=
6
CCOc1ccc(C(=O)Nc2cccc(C(=O)C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
=O)C(=
<|startoftext|><L>CCOc<mask_1:3>ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1<mask_1:3>
1
4
3
1
3
CCOc1ccccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
1cc
<|startoftext|><L>CCOc1ccc(C(=O)Nc2c<mask_1:8>OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1<mask_1:8>
9
18
8
ccc(C(=O)
8
CCOc1ccc(C(=O)Nc2ccc(Cl)c(OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
cc(Cl)c(
<|startoftext|><L>CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3<mask_1:3>4nc(C5CC5)sc4n3)c2)cc1<mask_1:3>
7
31
3
cc(=O)n
3
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc4nc(C5CC5)sc4n3)c2)cc1
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
ccc
<|startoftext|><L>CCOc1ccc(C(=O)Nc2cccc(C(=<mask_1:5>c3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1<mask_1:5>
4
25
5
O)OC
5
CCOc1ccc(C(=O)Nc2cccc(C(=O)NCCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
O)NCC
<|startoftext|><L>CCOc1ccc(C(=O)Nc2cccc(C(=O)<mask_1:4>Cc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1<mask_1:4>
1
27
4
O
4
CCOc1ccc(C(=O)Nc2cccc(C(=O)N(C)Cc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
N(C)
<|startoftext|><L>CCOc1ccc(C(=O)Nc2cc<mask_1:5>O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1<mask_1:5>
6
19
5
cc(C(=
5
CCOc1ccc(C(=O)Nc2cccc(C(O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
cc(C(
<|startoftext|><L>CCOc1ccc(C(=O)Nc2cccc(C(=O<mask_1:2>c3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1<mask_1:2>
3
26
2
)OC
2
CCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
)N
<|startoftext|><L>CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O<mask_1:7>n4nc(C5CC5)sc4n3)c2)cc1<mask_1:7>
1
36
7
)
7
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)OC(=O)n4nc(C5CC5)sc4n3)c2)cc1
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1
)OC(=O)
<|startoftext|><L>O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2cc<mask_1:3>2<mask_1:3>
4
71
3
ccc1
3
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccsc12
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
sc1
<|startoftext|><L>O=C(CN1C(=O)[C@@<mask_1:6>=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12<mask_1:6>
10
16
6
H]2[C@H]3C
6
O=C(CN1C(=O)[C@@H]2CC3=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
H]2CC3
<|startoftext|><L>O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=<mask_1:9>cc2ccccc12<mask_1:9>
7
59
9
O)Nc1cc
9
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1c(O)ccc2ccccc12
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
O)c1c(O)c
<|startoftext|><L>O=C(CN1C(=O)[C<mask_1:6>]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12<mask_1:6>
9
14
6
@@H]2[C@H
6
O=C(CN1C(=O)[C@H]2[C]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
@H]2[C
<|startoftext|><L>O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H<mask_1:8>[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12<mask_1:8>
3
38
8
]4C
8
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H][C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
]4C[C@H]
<|startoftext|><L>O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H<mask_1:3>C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12<mask_1:3>
2
38
3
]4
3
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4CC[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
]4C
<|startoftext|><L>O=C(CN1C(=O)[C@@H]2[C@H<mask_1:5>@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12<mask_1:5>
7
23
5
]3C=C[C
5
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
]3C[C
<|startoftext|><L>O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O<mask_1:11>c1cccc2ccccc12<mask_1:11>
2
60
11
)N
11
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)OCCc1cccc2ccccc12
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
)OCC(=O)OCC
<|startoftext|><L>O=C(CN1C(=O)[C@@H]2[C@H]3<mask_1:2>]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12<mask_1:2>
7
25
2
C=C[C@H
2
O=C(CN1C(=O)[C@@H]2[C@H]3[C]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
[C
<|startoftext|><L>O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2<mask_1:11>cc12<mask_1:11>
3
69
11
ccc
11
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2c1ccc1[nH]ccc12
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc2ccccc12
c1ccc1[nH]c
<|startoftext|><L>C=CCn1c(SCCC(=O)Nc2cc<mask_1:6>2F)nnc1-c1ccc(OC)cc1<mask_1:6>
3
21
6
ccc
6
C=CCn1c(SCCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(OC)cc1
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
c(F)cc
<|startoftext|><L>C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC<mask_1:4>cc1<mask_1:4>
1
40
4
)
4
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OCC#N)cc1
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
C#N)
<|startoftext|><L>C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1c<mask_1:6>(OC)cc1<mask_1:6>
2
35
6
cc
6
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1cc(OC)c(OC)cc1
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
c(OC)c
<|startoftext|><L>C=CCn1c(SC<mask_1:5>(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1<mask_1:5>
2
10
5
CC
5
C=CCn1c(SCS(=O)(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
S(=O)
<|startoftext|><L>C=CCn1c(SCCC(=O)Nc2ccccc2F)<mask_1:2>1-c1ccc(OC)cc1<mask_1:2>
3
27
2
nnc
3
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
nnc
<|startoftext|><L>C=CCn<mask_1:5>CCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1<mask_1:5>
4
5
5
1c(S
5
C=CCn1c(SCCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
1c(SC
<|startoftext|><L>C=CCn1c<mask_1:6>CC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1<mask_1:6>
3
7
6
(SC
6
C=CCn1c(SCCCNCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
(SCCCN
<|startoftext|><L>C<mask_1:1>1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1<mask_1:1>
4
1
1
=CCn
1
Cn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
n
<|startoftext|><L>C=C<mask_1:2>c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1<mask_1:2>
3
3
2
Cn1
2
C=Cn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
n1
<|startoftext|><L>C=CCn1c(SCCC(=O)Nc2ccccc2F)n<mask_1:5>-c1ccc(OC)cc1<mask_1:5>
3
28
5
nc1
5
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1SC-c1ccc(OC)cc1
C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1
nc1SC
<|startoftext|><L>COc1cc(CNC<mask_1:5>c2ccccc2)ccc1OCc1nc(C)no1<mask_1:5>
1
10
5
C
5
COc1cc(CNC(=O)Nc2ccccc2)ccc1OCc1nc(C)no1
COc1cc(CNCCc2ccccc2)ccc1OCc1nc(C)no1
(=O)N
<|startoftext|><L>COc1cc(CNCCc2cccc<mask_1:4>)ccc1OCc1nc(C)no1<mask_1:4>
2
17
4
c2
4
COc1cc(CNCCc2ccccc2Cl)ccc1OCc1nc(C)no1
COc1cc(CNCCc2ccccc2)ccc1OCc1nc(C)no1
c2Cl
<|startoftext|><L>COc1cc(<mask_1:1>2ccccc2)ccc1OCc1nc(C)no1<mask_1:1>
5
7
1
CNCCc
1
COc1cc(c2ccccc2)ccc1OCc1nc(C)no1
COc1cc(CNCCc2ccccc2)ccc1OCc1nc(C)no1
c
<|startoftext|><L>COc1cc(CNCCc2ccccc2<mask_1:3>ccc1OCc1nc(C)no1<mask_1:3>
1
19
3
)
3
COc1cc(CNCCc2ccccc2OC)ccc1OCc1nc(C)no1
COc1cc(CNCCc2ccccc2)ccc1OCc1nc(C)no1
OC)
<|startoftext|><L>COc1cc(CNCCc2ccc<mask_1:4>c2)ccc1OCc1nc(C)no1<mask_1:4>
1
16
4
c
4
COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1nc(C)no1
COc1cc(CNCCc2ccccc2)ccc1OCc1nc(C)no1
(F)c
<|startoftext|><L>COc1cc(CN<mask_1:2>2ccccc2)ccc1OCc1nc(C)no1<mask_1:2>
3
9
2
CCc
2
COc1cc(CNCc2ccccc2)ccc1OCc1nc(C)no1
COc1cc(CNCCc2ccccc2)ccc1OCc1nc(C)no1
Cc
<|startoftext|><L>COc1cc(CNCCc2cccc<mask_1:4>)ccc1OCc1nc(C)no1<mask_1:4>
2
17
4
c2
4
COc1cc(CNCCc2ccccc2Cl)ccc1OCc1nc(C)no1
COc1cc(CNCCc2ccccc2)ccc1OCc1nc(C)no1
c2Cl
<|startoftext|><L>COc1cc<mask_1:2>CCc2ccccc2)ccc1OCc1nc(C)no1<mask_1:2>
3
6
2
(CN
2
COc1cc(NCCc2ccccc2)ccc1OCc1nc(C)no1
COc1cc(CNCCc2ccccc2)ccc1OCc1nc(C)no1
(N
<|startoftext|><L>COc1cc(CNCCc2ccc<mask_1:5>2)ccc1OCc1nc(C)no1<mask_1:5>
2
16
5
cc
5
COc1cc(CNCCc2cccc(F)c2)ccc1OCc1nc(C)no1
COc1cc(CNCCc2ccccc2)ccc1OCc1nc(C)no1
c(F)c
<|startoftext|><L>COc1cc(CNCCc2ccccc2<mask_1:3>cc1OCc1nc(C)no1<mask_1:3>
2
19
3
)c
3
COc1cc(CNCCc2ccccc2F)ccc1OCc1nc(C)no1
COc1cc(CNCCc2ccccc2)ccc1OCc1nc(C)no1
F)c
<|startoftext|><L>O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)<mask_1:8>=O)Oc1ccccc1<mask_1:8>
5
37
8
CN1C(
8
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1CCNC(=O)Oc1ccccc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
CN1CCNC(
<|startoftext|><L>O=C(<mask_1:2>Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1<mask_1:2>
0
4
2
2
O=C(NCNc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
NC
<|startoftext|><L>O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C<mask_1:3>cccc1<mask_1:3>
8
41
3
(=O)Oc1c
3
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1Cc1ccccc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
c1c
<|startoftext|><L>O=C(<mask_1:8>c1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1<mask_1:8>
1
4
8
N
8
O=C(c1ccccc1c1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
c1ccccc1
<|startoftext|><L>O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O<mask_1:5>O)Oc1ccccc1<mask_1:5>
7
36
5
)CN1C(=
5
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)N1C(O)Oc1ccccc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
)N1C(
<|startoftext|><L>O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)<mask_1:6>cccc1<mask_1:6>
4
45
6
Oc1c
6
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)c1c(F)cccc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
c1c(F)
<|startoftext|><L>O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[<mask_1:2>](O)CN1C(=O)Oc1ccccc1<mask_1:2>
3
30
2
C@H
2
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@](O)CN1C(=O)Oc1ccccc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
C@
<|startoftext|><L>O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O<mask_1:3>N1C(=O)Oc1ccccc1<mask_1:3>
2
36
3
)C
3
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CCN1C(=O)Oc1ccccc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
)CC
<|startoftext|><L>O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H<mask_1:6>CN1C(=O)Oc1ccccc1<mask_1:6>
4
33
6
](O)
6
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CCCN1C(=O)Oc1ccccc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
](O)CC
<|startoftext|><L>O=C(Nc1ccc2c(c1)OCO2)[C<mask_1:3>[C@H](O)CN1C(=O)Oc1ccccc1<mask_1:3>
6
23
3
@@H]1C
3
O=C(Nc1ccc2c(c1)OCO2)[CH]1[C@H](O)CN1C(=O)Oc1ccccc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1
H]1
<|startoftext|><L>COC[C@H](NC(=O)Nc1cc(C<mask_1:3>cc(-c2ccncc2)c1)C1(C)CC1<mask_1:3>
2
22
3
l)
3
COC[C@H](NC(=O)Nc1cc(C#N)cc(-c2ccncc2)c1)C1(C)CC1
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
#N)
<|startoftext|><L>COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(<mask_1:5>1<mask_1:5>
4
43
5
C)CC
5
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(OC)CC1
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
OC)CC
<|startoftext|><L>COC[C@H](NC(<mask_1:6>c1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1<mask_1:6>
4
12
6
=O)N
6
COC[C@H](NC(=O)NCCc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
=O)NCC
<|startoftext|><L>COC[C@H](NC(=O)Nc1cc(Cl)<mask_1:2>-c2ccncc2)c1)C1(C)CC1<mask_1:2>
3
24
2
cc(
2
COC[C@H](NC(=O)Nc1cc(Cl)n(-c2ccncc2)c1)C1(C)CC1
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
n(
<|startoftext|><L>COC[C@H](NC(<mask_1:6>c(Cl)cc(-c2ccncc2)c1)C1(C)CC1<mask_1:6>
7
12
6
=O)Nc1c
6
COC[C@H](NC(=O)c1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
=O)c1c
<|startoftext|><L>COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccnc<mask_1:4>2)c1)C1(C)CC1<mask_1:4>
1
34
4
c
4
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccnc(C)n2)c1)C1(C)CC1
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
(C)n
<|startoftext|><L>COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccnc<mask_1:6>)C1(C)CC1<mask_1:6>
5
34
6
c2)c1
6
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1O)C1(C)CC1
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
c2)c1O
<|startoftext|><L>COC[C@H](<mask_1:4>NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1<mask_1:4>
0
9
4
4
COC[C@H](C)N(NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
C)N(
<|startoftext|><L>COC[C@H](<mask_1:1>(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1<mask_1:1>
2
9
1
NC
1
COC[C@H](C(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
C
<|startoftext|><L>COC[C@H](NC(=O)N<mask_1:1>c1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1<mask_1:1>
0
16
1
1
COC[C@H](NC(=O)NCc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
COC[C@H](NC(=O)Nc1cc(Cl)cc(-c2ccncc2)c1)C1(C)CC1
C