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<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)N2CCN(<mask_1:6>cc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:6>
3
29
6
c3c
6
NC(=O)N1CCC[C@@H](C(=O)N2CCN(CCOc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
CCOc3c
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)N2CC<mask_1:6>(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:6>
1
27
6
N
6
NC(=O)N1CCC[C@@H](C(=O)N2CCC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
C(=O)N
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(<mask_1:6>CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:6>
5
20
6
=O)N2
6
NC(=O)N1CCC[C@@H](C(=O)N2CCCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
=O)N2C
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)<mask_1:5>CN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:5>
3
23
5
N2C
5
NC(=O)N1CCC[C@@H](C(=O)NCC2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
NCC2C
<|startoftext|><L>NC(=O)N1CC<mask_1:8>](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:8>
6
10
8
C[C@@H
8
NC(=O)N1CCN(C)[C@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
N(C)[C@H
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F<mask_1:8>)CC2)C1<mask_1:8>
3
48
8
)c3
8
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)CC2)C1
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
)c3)C(=O
<|startoftext|><L>NC(=<mask_1:6>)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:6>
1
4
6
O
6
NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
O)C(=O
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C<mask_1:6>(F)(F)F)c3)CC2)C1<mask_1:6>
0
41
6
6
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(=O)NC(F)(F)F)c3)CC2)C1
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
(=O)NC
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=<mask_1:5>)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1<mask_1:5>
1
21
5
O
5
NC(=O)N1CCC[C@@H](C(=O)N(C)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
O)N(C
<|startoftext|><L>NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c<mask_1:5>F)F)c3)CC2)C1<mask_1:5>
6
39
5
(C(F)(
5
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(OCC(F)F)c3)CC2)C1
NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1
(OCC(
<|startoftext|><L>Cn1c<mask_1:3>c(-c2cncc(CC3CCNCC3)n2)cn1<mask_1:3>
0
4
3
3
Cn1c(F)c(-c2cncc(CC3CCNCC3)n2)cn1
Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1
(F)
<|startoftext|><L>Cn1cc(-c2cncc(CC3CCN<mask_1:3>n2)cn1<mask_1:3>
4
20
3
CC3)
3
Cn1cc(-c2cncc(CC3CCNC3)n2)cn1
Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1
C3)
<|startoftext|><L>Cn1cc(-c2cncc(CC3CCN<mask_1:2>CC3)n2)cn1<mask_1:2>
0
20
2
2
Cn1cc(-c2cncc(CC3CCNCCCC3)n2)cn1
Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1
CC
<|startoftext|><L><mask_1:4>n1cc(-c2cncc(CC3CCNCC3)n2)cn1<mask_1:4>
1
0
4
C
4
C=CCn1cc(-c2cncc(CC3CCNCC3)n2)cn1
Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1
C=CC
<|startoftext|><L>Cn1cc(-c2cncc(C<mask_1:2>CNCC3)n2)cn1<mask_1:2>
3
15
2
C3C
2
Cn1cc(-c2cncc(C3CCNCC3)n2)cn1
Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1
3C
<|startoftext|><L>Cn1cc(-c2cncc(<mask_1:2>C3CCNCC3)n2)cn1<mask_1:2>
1
14
2
C
2
Cn1cc(-c2cncc(NCC3CCNCC3)n2)cn1
Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1
NC
<|startoftext|><L>Cn1cc(-c2cncc(CC3CC<mask_1:2>CC3)n2)cn1<mask_1:2>
1
19
2
N
2
Cn1cc(-c2cncc(CC3CCCNCC3)n2)cn1
Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1
CN
<|startoftext|><L>Cn1cc(-c2cncc(CC3CCNCC<mask_1:2>3)n2)cn1<mask_1:2>
0
22
2
2
Cn1cc(-c2cncc(CC3CCNCCCC3)n2)cn1
Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1
CC
<|startoftext|><L>Cn1cc(-<mask_1:3>2cncc(CC3CCNCC3)n2)cn1<mask_1:3>
1
7
3
c
3
Cn1cc(-CNc2cncc(CC3CCNCC3)n2)cn1
Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1
CNc
<|startoftext|><L>Cn1cc(-c2cncc(CC3<mask_1:2>C3)n2)cn1<mask_1:2>
4
17
2
CCNC
2
Cn1cc(-c2cncc(CC3CNC3)n2)cn1
Cn1cc(-c2cncc(CC3CCNCC3)n2)cn1
CN
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=O<mask_1:4>cnc4ccccn34)CC2)n1C<mask_1:4>
3
22
4
)c3
4
CN(C)Cc1nnc(C2CCN(C(=O)Cc3cnc4ccccn34)CC2)n1C
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C
)Cc3
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(<mask_1:2>3cnc4ccccn34)CC2)n1C<mask_1:2>
6
18
2
C(=O)c
2
CN(C)Cc1nnc(C2CCN(Cc3cnc4ccccn34)CC2)n1C
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C
Cc
<|startoftext|><L>CN(C)Cc1nnc(C<mask_1:3>(=O)c3cnc4ccccn34)CC2)n1C<mask_1:3>
6
13
3
2CCN(C
3
CN(C)Cc1nnc(C2(C(=O)c3cnc4ccccn34)CC2)n1C
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C
2(C
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=<mask_1:5>3cnc4ccccn34)CC2)n1C<mask_1:5>
3
21
5
O)c
5
CN(C)Cc1nnc(C2CCN(C(=O)CCc3cnc4ccccn34)CC2)n1C
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C
O)CCc
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34<mask_1:2>2)n1C<mask_1:2>
3
36
2
)CC
2
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)C2)n1C
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C
)C
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=O)c3cnc<mask_1:6>cccn34)CC2)n1C<mask_1:6>
2
28
6
4c
6
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4c(Cl)cccn34)CC2)n1C
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C
4c(Cl)
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=<mask_1:6>cnc4ccccn34)CC2)n1C<mask_1:6>
4
21
6
O)c3
6
CN(C)Cc1nnc(C2CCN(C(=O)CCc3cnc4ccccn34)CC2)n1C
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C
O)CCc3
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC<mask_1:5>C<mask_1:5>
4
39
5
2)n1
5
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1CC
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C
2)n1C
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C<mask_1:1>O)c3cnc4ccccn34)CC2)n1C<mask_1:1>
2
19
1
(=
1
CN(C)Cc1nnc(C2CCN(C(O)c3cnc4ccccn34)CC2)n1C
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C
(
<|startoftext|><L>CN(C)Cc1nnc(C2CCN(C(<mask_1:2>O)c3cnc4ccccn34)CC2)n1C<mask_1:2>
1
20
2
=
2
CN(C)Cc1nnc(C2CCN(C(=NO)c3cnc4ccccn34)CC2)n1C
CN(C)Cc1nnc(C2CCN(C(=O)c3cnc4ccccn34)CC2)n1C
=N
<|startoftext|><L>Cc1cccc(N/C=C2/CCC<mask_1:2>C2=O)c1Cl<mask_1:2>
1
18
2
C
2
Cc1cccc(N/C=C2/CCCCCC2=O)c1Cl
Cc1cccc(N/C=C2/CCCCC2=O)c1Cl
CC
<|startoftext|><L>Cc1cccc(N/C=C2/CCCC<mask_1:1>)c1Cl<mask_1:1>
4
19
1
C2=O
1
Cc1cccc(N/C=C2/CCCC2)c1Cl
Cc1cccc(N/C=C2/CCCCC2=O)c1Cl
2
<|startoftext|><L>Cc1cccc(N/C=C2/<mask_1:3>CCCC2=O)c1Cl<mask_1:3>
1
15
3
C
3
Cc1cccc(N/C=C2/C=CCCCC2=O)c1Cl
Cc1cccc(N/C=C2/CCCCC2=O)c1Cl
C=C
<|startoftext|><L>Cc1cccc(N/C=C2/CC<mask_1:4>C2=O)c1Cl<mask_1:4>
2
17
4
CC
4
Cc1cccc(N/C=C2/CCCCCCC2=O)c1Cl
Cc1cccc(N/C=C2/CCCCC2=O)c1Cl
CCCC
<|startoftext|><L>Cc1cccc(N/C=C2/CCC<mask_1:4>=O)c1Cl<mask_1:4>
3
18
4
CC2
4
Cc1cccc(N/C=C2/CCCCCC2=O)c1Cl
Cc1cccc(N/C=C2/CCCCC2=O)c1Cl
CCC2
<|startoftext|><L>Cc1cccc(N/C=C2/CC<mask_1:2>=O)c1Cl<mask_1:2>
4
17
2
CCC2
2
Cc1cccc(N/C=C2/CCC2=O)c1Cl
Cc1cccc(N/C=C2/CCCCC2=O)c1Cl
C2
<|startoftext|><L>Cc1cccc(N/C=C2/CCCC<mask_1:2>C2=O)c1Cl<mask_1:2>
0
19
2
2
Cc1cccc(N/C=C2/CCCCCCC2=O)c1Cl
Cc1cccc(N/C=C2/CCCCC2=O)c1Cl
CC
<|startoftext|><L>Cc1cccc(N/C<mask_1:4>2/CCCCC2=O)c1Cl<mask_1:4>
2
11
4
=C
4
Cc1cccc(N/C=C\C2/CCCCC2=O)c1Cl
Cc1cccc(N/C=C2/CCCCC2=O)c1Cl
=C\C
<|startoftext|><L>Cc1cccc(N/C=C2<mask_1:1>CC2=O)c1Cl<mask_1:1>
4
14
1
/CCC
1
Cc1cccc(N/C=C2/CC2=O)c1Cl
Cc1cccc(N/C=C2/CCCCC2=O)c1Cl
/
<|startoftext|><L>Cc1cccc(<mask_1:1>C2/CCCCC2=O)c1Cl<mask_1:1>
4
8
1
N/C=
1
Cc1cccc(OC2/CCCCC2=O)c1Cl
Cc1cccc(N/C=C2/CCCCC2=O)c1Cl
O
<|startoftext|><L>Cn1c(=O)sc2cc(<mask_1:5>=O)c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:5>
3
14
5
NC(
5
Cn1c(=O)sc2cc(CCNC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
CCNC(
<|startoftext|><L>Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5c<mask_1:3>54)o3)ccc21<mask_1:3>
4
32
3
cccc
4
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
cccc
<|startoftext|><L>Cn1<mask_1:2>c2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:2>
6
3
2
c(=O)s
2
Cn1nnc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
nn
<|startoftext|><L>Cn1c(=O)sc2cc(N<mask_1:4>cc4c(ccc5ccccc54)o3)ccc21<mask_1:4>
7
15
4
C(=O)c3
4
Cn1c(=O)sc2cc(N=c3ncc4c(ccc5ccccc54)o3)ccc21
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
=c3n
<|startoftext|><L>Cn1c(=O)sc2cc(NC<mask_1:4>)c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:4>
3
16
4
(=O
4
Cn1c(=O)sc2cc(NCC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
C(=O
<|startoftext|><L>Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5cc<mask_1:7>ccc54)o3)ccc21<mask_1:7>
0
33
7
7
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccc(C#N)cccc54)o3)ccc21
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
c(C#N)c
<|startoftext|><L>Cn1c(=O)sc2cc<mask_1:5>)c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:5>
6
13
5
(NC(=O
5
Cn1c(=O)sc2cc(C(=O)c3cc4c(ccc5ccccc54)o3)ccc21
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
(C(=O
<|startoftext|><L>Cn1c(=O)sc2cc(N<mask_1:2>c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:2>
5
15
2
C(=O)
2
Cn1c(=O)sc2cc(N=Cc3cc4c(ccc5ccccc54)o3)ccc21
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
=C
<|startoftext|><L>Cn1c(=O)sc2cc(NC<mask_1:2>cc4c(ccc5ccccc54)o3)ccc21<mask_1:2>
6
16
2
(=O)c3
2
Cn1c(=O)sc2cc(NCc3cc4c(ccc5ccccc54)o3)ccc21
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
c3
<|startoftext|><L>Cn1c(=O)sc<mask_1:5>2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21<mask_1:5>
0
10
5
5
Cn1c(=O)sc(=O)c2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
Cn1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21
(=O)c
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3ccc(F)cc<mask_1:7>n3nnnc3N2)c(OC)c1<mask_1:7>
2
29
7
3)
7
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)N(C)Cn3nnnc3N2)c(OC)c1
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
3)N(C)C
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3ccc(F)<mask_1:4>)n3nnnc3N2)c(OC)c1<mask_1:4>
3
27
4
cc3
4
COc1ccc(C2=C[C@@H](c3ccc(F)cc3F)n3nnnc3N2)c(OC)c1
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
cc3F
<|startoftext|><L>COc1ccc(C2=C[<mask_1:2>H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1<mask_1:2>
3
13
2
C@@
2
COc1ccc(C2=C[C@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
C@
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3c<mask_1:7>cc3)n3nnnc3N2)c(OC)c1<mask_1:7>
5
22
7
cc(F)
7
COc1ccc(C2=C[C@@H](c3ccc(C#N)cc3)n3nnnc3N2)c(OC)c1
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
cc(C#N)
<|startoftext|><L>COc1ccc(C2=C[C@@H]<mask_1:2>c3ccc(F)cc3)n3nnnc3N2)c(OC)c1<mask_1:2>
1
18
2
(
2
COc1ccc(C2=C[C@@H](Sc3ccc(F)cc3)n3nnnc3N2)c(OC)c1
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
(S
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3<mask_1:5>F)cc3)n3nnnc3N2)c(OC)c1<mask_1:5>
4
21
5
ccc(
5
COc1ccc(C2=C[C@@H](c3ccc(CF)cc3)n3nnnc3N2)c(OC)c1
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
ccc(C
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3ccc(F)cc<mask_1:4>3nnnc3N2)c(OC)c1<mask_1:4>
3
29
4
3)n
4
COc1ccc(C2=C[C@@H](c3ccc(F)cc3F)n3nnnc3N2)c(OC)c1
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
3F)n
<|startoftext|><L>COc1ccc(C2=C[C@@H](c3ccc(F)<mask_1:7>)n3nnnc3N2)c(OC)c1<mask_1:7>
3
27
7
cc3
7
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)N(C)n3nnnc3N2)c(OC)c1
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
cc3)N(C
<|startoftext|><L>COc1ccc<mask_1:6>@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1<mask_1:6>
7
7
6
(C2=C[C
6
COc1ccc(C2C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
(C2C[C
<|startoftext|><L>COc1ccc(C2=C[C<mask_1:5>H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1<mask_1:5>
2
14
5
@@
5
COc1ccc(C2=C[C@H][CH](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1
@H][C
<|startoftext|><L>CC(=O)c1cccc(Nc2nnc(S<mask_1:5>ccc(Cl)cc3)n(N)c2=O)c1<mask_1:5>
3
21
5
Cc3
5
CC(=O)c1cccc(Nc2nnc(SCCOc3ccc(Cl)cc3)n(N)c2=O)c1
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
CCOc3
<|startoftext|><L>CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)<mask_1:3>n(N)c2=O)c1<mask_1:3>
4
31
3
cc3)
3
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)s3)n(N)c2=O)c1
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
s3)
<|startoftext|><L><mask_1:4>c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1<mask_1:4>
6
0
4
CC(=O)
4
CCCOc1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
CCCO
<|startoftext|><L>CC(=O)c1cccc(N<mask_1:4>2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1<mask_1:4>
1
14
4
c
4
CC(=O)c1cccc(N(C)c2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
(C)c
<|startoftext|><L>CC(<mask_1:4>ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1<mask_1:4>
6
3
4
=O)c1c
4
CC(C)n1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
C)n1
<|startoftext|><L>CC(=O)c1cccc(Nc2nn<mask_1:5>ccc(Cl)cc3)n(N)c2=O)c1<mask_1:5>
6
18
5
c(SCc3
5
CC(=O)c1cccc(Nc2nnc(-c3ccc(Cl)cc3)n(N)c2=O)c1
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
c(-c3
<|startoftext|><L>CC<mask_1:2>(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1<mask_1:2>
0
2
2
2
CCOC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
OC
<|startoftext|><L>CC(=O)c1cccc(Nc2nnc(SCc3ccc(<mask_1:2>3)n(N)c2=O)c1<mask_1:2>
5
28
2
Cl)cc
2
CC(=O)c1cccc(Nc2nnc(SCc3ccc(C)3)n(N)c2=O)c1
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
C)
<|startoftext|><L>CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3<mask_1:6>n(N)c2=O)c1<mask_1:6>
1
34
6
)
6
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)c(=O)n(N)c2=O)c1
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
)c(=O)
<|startoftext|><L>CC(=O)c1c<mask_1:4>c2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1<mask_1:4>
5
9
4
ccc(N
4
CC(=O)c1cccc(c2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
CC(=O)c1cccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c1
ccc(
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](<mask_1:2>O)N3CCC(F)(F)CC3)C2)cc1<mask_1:2>
3
20
2
C(=
2
Cc1ccc(CN2CCO[C@@H](C(O)N3CCC(F)(F)CC3)C2)cc1
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
C(
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F<mask_1:4>2)cc1<mask_1:4>
6
35
4
)CC3)C
4
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)C3)2)cc1
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
)C3)
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3<mask_1:6>C2)cc1<mask_1:6>
1
39
6
)
6
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C(=O)C2)cc1
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
)C(=O)
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O<mask_1:4>C(F)(F)CC3)C2)cc1<mask_1:4>
5
24
4
)N3CC
4
Cc1ccc(CN2CCO[C@@H](C(=O)N3CC(F)(F)CC3)C2)cc1
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
)N3C
<|startoftext|><L>Cc1ccc(CN2CCO[C@@<mask_1:5>O)N3CCC(F)(F)CC3)C2)cc1<mask_1:5>
6
17
5
H](C(=
5
Cc1ccc(CN2CCO[C@@H](C(O)N3CCC(F)(F)CC3)C2)cc1
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
H](C(
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)<mask_1:2>3)C2)cc1<mask_1:2>
5
33
2
(F)CC
2
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)CC3)C2)cc1
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
CC
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CC<mask_1:6>F)(F)CC3)C2)cc1<mask_1:6>
2
29
6
C(
6
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCN(C)C(F)(F)CC3)C2)cc1
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
N(C)C(
<|startoftext|><L>Cc1ccc(CN2CCO<mask_1:6>](C(=O)N3CCC(F)(F)CC3)C2)cc1<mask_1:6>
5
13
6
[C@@H
6
Cc1ccc(CN2CCOC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
C[C@@H
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)C<mask_1:2>C2)cc1<mask_1:2>
3
37
2
C3)
2
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)C3)C2)cc1
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
3)
<|startoftext|><L>Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(<mask_1:5>C2)cc1<mask_1:5>
6
34
5
F)CC3)
5
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)C3)C2)cc1
Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
F)C3)
<|startoftext|><L>C[C@@H](CC(C)(C)c1ccccc1)NC(<mask_1:1>=O)CC1CCN(C)CC1<mask_1:1>
0
28
1
1
C[C@@H](CC(C)(C)c1ccccc1)NC(N=O)CC1CCN(C)CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
N
<|startoftext|><L>C[C@@H](CC(C)(C)c1c<mask_1:5>ccc1)NC(=O)CC1CCN(C)CC1<mask_1:5>
1
19
5
c
5
C[C@@H](CC(C)(C)c1cc(Cl)ccc1)NC(=O)CC1CCN(C)CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
c(Cl)
<|startoftext|><L>C[C@@H](CC(C<mask_1:5>c1ccccc1)NC(=O)CC1CCN(C)CC1<mask_1:5>
4
12
5
)(C)
5
C[C@@H](CC(C)(C)Cc1ccccc1)NC(=O)CC1CCN(C)CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
)(C)C
<|startoftext|><L>C[C@@H](CC(C)(C<mask_1:5>cc1)NC(=O)CC1CCN(C)CC1<mask_1:5>
6
15
5
)c1ccc
5
C[C@@H](CC(C)(C)n1cccc1)NC(=O)CC1CCN(C)CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
)n1cc
<|startoftext|><L>C[C@@H](CC(C)(C)c1ccccc1)NC(<mask_1:6>=O)CC1CCN(C)CC1<mask_1:6>
0
28
6
6
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NC(=O)CC1CCN(C)CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
=O)NC(
<|startoftext|><L>C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN<mask_1:6>C1<mask_1:6>
4
37
6
(C)C
6
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(CCO)CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
(CCO)C
<|startoftext|><L>C[C@@H](CC(C<mask_1:4>ccccc1)NC(=O)CC1CCN(C)CC1<mask_1:4>
6
12
4
)(C)c1
4
C[C@@H](CC(CO)c1ccccc1)NC(=O)CC1CCN(C)CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
O)c1
<|startoftext|><L>C[C@@H](CC(C)(C)c1ccccc<mask_1:3>)NC(=O)CC1CCN(C)CC1<mask_1:3>
1
23
3
1
3
C[C@@H](CC(C)(C)c1ccccc1Cl)NC(=O)CC1CCN(C)CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
1Cl
<|startoftext|><L>C[C@@H](CC(C)(C)c1ccc<mask_1:5>cc1)NC(=O)CC1CCN(C)CC1<mask_1:5>
0
21
5
5
C[C@@H](CC(C)(C)c1ccc(C#N)cc1)NC(=O)CC1CCN(C)CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
(C#N)
<|startoftext|><L>C<mask_1:5>@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1<mask_1:5>
2
1
5
[C
5
CCCC[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1
CCC[C
<|startoftext|><L>CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1<mask_1:6>cc1<mask_1:6>
3
43
6
ccc
6
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccc(F)cc1
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
ccc(F)
<|startoftext|><L>CN<mask_1:5>(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:5>
3
2
5
(CC
5
CN(CCCC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
(CCCC
<|startoftext|><L>CN(CC(=O)N1CC<mask_1:5>@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:5>
3
13
5
C[C
5
CN(CC(=O)N1CCCCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
CCC[C
<|startoftext|><L>CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2cc<mask_1:4>1)c1ccccc1<mask_1:4>
6
33
4
ccn2)C
4
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccsc2)1)c1ccccc1
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
sc2)
<|startoftext|><L>CN(CC(=O)<mask_1:7>1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:7>
1
9
7
N
7
CN(CC(=O)N[C@@H]1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
N[C@@H]
<|startoftext|><L>CN(CC(=O)N<mask_1:4>C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:4>
5
10
4
1CCC[
4
CN(CC(=O)N1CC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
1CC[
<|startoftext|><L>CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)<mask_1:7>ccccc1<mask_1:7>
5
38
7
C1)c1
7
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)CCc1ccccc1
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
C1)CCc1
<|startoftext|><L>CN(CC<mask_1:2>N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:2>
4
5
2
(=O)
2
CN(CCCCN1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
CC
<|startoftext|><L>CN(CC(<mask_1:3>)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:3>
2
6
3
=O
3
CN(CC(C#N)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
C#N
<|startoftext|><L>CN(<mask_1:7>O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1<mask_1:7>
4
3
7
CC(=
7
CN(S(=O)(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
CN(CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1)c1ccccc1
S(=O)(=