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<|startoftext|><L>Cc1nn(CCO)cc1CN1<mask_1:5>[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1<mask_1:5>
3
16
5
CCC
5
Cc1nn(CCO)cc1CN1CCCCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
CCCCC
<|startoftext|><L>Cc1nn(CCO)cc1<mask_1:7>N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1<mask_1:7>
1
13
7
C
7
Cc1nn(CCO)cc1CNC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
CNC(=O)
<|startoftext|><L>Cc1nn(CCO)cc1CN1CC<mask_1:2>2(CCc3cnc(-c4ccccc4)nc32)C1<mask_1:2>
6
18
2
C[C@@]
2
Cc1nn(CCO)cc1CN1CCOC2(CCc3cnc(-c4ccccc4)nc32)C1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
OC
<|startoftext|><L>C<mask_1:7>1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1<mask_1:7>
1
1
7
c
7
COC(=O)c1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
OC(=O)c
<|startoftext|><L>Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc3<mask_1:5>)C1<mask_1:5>
1
47
5
2
5
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)N(C)C1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
2)N(C
<|startoftext|><L>Cc1nn(CCO)cc1CN1CC<mask_1:5>C[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1<mask_1:5>
0
18
5
5
Cc1nn(CCO)cc1CN1CCCN(C)C[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
CN(C)
<|startoftext|><L>Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cn<mask_1:1>-c4ccccc4)nc32)C1<mask_1:1>
2
32
1
c(
1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cn(-c4ccccc4)nc32)C1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
(
<|startoftext|><L>Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4<mask_1:5>C1<mask_1:5>
6
43
5
)nc32)
6
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
)nc32)
<|startoftext|><L>Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc<mask_1:7>cccc4)nc32)C1<mask_1:7>
5
33
7
(-c4c
7
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(NCCc4ccccc4)nc32)C1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
(NCCc4c
<|startoftext|><L>Cc1nn(CCO)cc1CN1CCC[C@@]2(CC<mask_1:6>c4ccccc4)nc32)C1<mask_1:6>
7
28
6
c3cnc(-
6
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(c4ccccc4)nc32)C1
Cc1nn(CCO)cc1CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1
c3cnc(
<|startoftext|><L>CC(=O)NCCNc1ncnc2cccc<mask_1:3>2<mask_1:3>
2
21
3
c1
3
CC(=O)NCCNc1ncnc2ccccc1C2
CC(=O)NCCNc1ncnc2ccccc12
c1C
<|startoftext|><L>CC(=O)NCCNc1ncnc2ccc<mask_1:1>2<mask_1:1>
3
20
1
cc1
1
CC(=O)NCCNc1ncnc2ccc12
CC(=O)NCCNc1ncnc2ccccc12
1
<|startoftext|><L>CC(=O)<mask_1:2>Nc1ncnc2ccccc12<mask_1:2>
3
6
2
NCC
2
CC(=O)OCNc1ncnc2ccccc12
CC(=O)NCCNc1ncnc2ccccc12
OC
<|startoftext|><L>CC(=O<mask_1:2>CNc1ncnc2ccccc12<mask_1:2>
3
5
2
)NC
2
CC(=O)OCNc1ncnc2ccccc12
CC(=O)NCCNc1ncnc2ccccc12
)O
<|startoftext|><L>CC(=O)NCCNc<mask_1:1>nc2ccccc12<mask_1:1>
3
11
1
1nc
1
CC(=O)NCCNc1nc2ccccc12
CC(=O)NCCNc1ncnc2ccccc12
1
<|startoftext|><L><mask_1:3>(=O)NCCNc1ncnc2ccccc12<mask_1:3>
2
0
3
CC
3
COC(=O)NCCNc1ncnc2ccccc12
CC(=O)NCCNc1ncnc2ccccc12
COC
<|startoftext|><L>CC(=O)NCCNc1ncnc2ccc<mask_1:1>2<mask_1:1>
3
20
1
cc1
1
CC(=O)NCCNc1ncnc2ccc12
CC(=O)NCCNc1ncnc2ccccc12
1
<|startoftext|><L>CC(=O<mask_1:2>CNc1ncnc2ccccc12<mask_1:2>
3
5
2
)NC
2
CC(=O)CCNc1ncnc2ccccc12
CC(=O)NCCNc1ncnc2ccccc12
)C
<|startoftext|><L><mask_1:3>CC(=O)NCCNc1ncnc2ccccc12<mask_1:3>
0
0
3
3
C=CCC(=O)NCCNc1ncnc2ccccc12
CC(=O)NCCNc1ncnc2ccccc12
C=C
<|startoftext|><L>CC(=O)NCCNc1nc<mask_1:1>2ccccc12<mask_1:1>
2
14
1
nc
1
CC(=O)NCCNc1ncn2ccccc12
CC(=O)NCCNc1ncnc2ccccc12
n
<|startoftext|><L>Fc1ccccc1C<mask_1:4>CCc2nnc(-c3ccccc3)n2CC1<mask_1:4>
2
10
4
N1
4
Fc1ccccc1CCCN1CCc2nnc(-c3ccccc3)n2CC1
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1
CCN1
<|startoftext|><L>Fc<mask_1:5>ccc1CN1CCc2nnc(-c3ccccc3)n2CC1<mask_1:5>
3
2
5
1cc
5
Fc1[nH]ccc1CN1CCc2nnc(-c3ccccc3)n2CC1
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1
1[nH]
<|startoftext|><L>Fc1ccc<mask_1:5>1CN1CCc2nnc(-c3ccccc3)n2CC1<mask_1:5>
2
6
5
cc
5
Fc1cccc(F)c1CN1CCc2nnc(-c3ccccc3)n2CC1
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1
c(F)c
<|startoftext|><L>Fc<mask_1:4>c1CN1CCc2nnc(-c3ccccc3)n2CC1<mask_1:4>
5
2
4
1cccc
4
Fc1ccsc1CN1CCc2nnc(-c3ccccc3)n2CC1
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1
1ccs
<|startoftext|><L>Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2<mask_1:2>CC1<mask_1:2>
0
32
2
2
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CCCC1
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1
CC
<|startoftext|><L>Fc1ccc<mask_1:3>N1CCc2nnc(-c3ccccc3)n2CC1<mask_1:3>
4
6
3
cc1C
3
Fc1cccnc1N1CCc2nnc(-c3ccccc3)n2CC1
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1
nc1
<|startoftext|><L>Fc1<mask_1:5>cc1CN1CCc2nnc(-c3ccccc3)n2CC1<mask_1:5>
3
3
5
ccc
5
Fc1nn(C)cc1CN1CCc2nnc(-c3ccccc3)n2CC1
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1
nn(C)
<|startoftext|><L>Fc1ccccc1CN1CC<mask_1:5>nnc(-c3ccccc3)n2CC1<mask_1:5>
2
14
5
c2
5
Fc1ccccc1CN1CCCCCc2nnc(-c3ccccc3)n2CC1
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1
CCCc2
<|startoftext|><L>Fc1ccccc1CN1CCc2nnc(-c3cc<mask_1:5>3)n2CC1<mask_1:5>
3
25
5
ccc
5
Fc1ccccc1CN1CCc2nnc(-c3ccc[nH]3)n2CC1
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1
c[nH]
<|startoftext|><L>Fc1ccccc1CN1CCc2<mask_1:4>nc(-c3ccccc3)n2CC1<mask_1:4>
1
16
4
n
4
Fc1ccccc1CN1CCc2c(S)nc(-c3ccccc3)n2CC1
Fc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1
c(S)
<|startoftext|><L>O=C(COc1ccc(Cl)cc1Cl)<mask_1:5>cc(CN2CCOCC2)c1<mask_1:5>
6
21
5
NCc1cc
5
O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(CN2CCOCC2)c1
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
Nc1cc
<|startoftext|><L>O=C(COc1ccc(Cl)cc1Cl)NCc1ccc<mask_1:5>COCC2)c1<mask_1:5>
6
28
5
c(CN2C
5
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(N2CCOCC2)c1
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
c(N2C
<|startoftext|><L>O=C(COc1ccc(Cl)cc1Cl)NCc1cccc<mask_1:3>CCOCC2)c1<mask_1:3>
4
29
3
(CN2
3
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(N2CCOCC2)c1
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
(N2
<|startoftext|><L>O=C(COc1<mask_1:2>Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1<mask_1:2>
4
8
2
ccc(
2
O=C(COc1c(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
c(
<|startoftext|><L>O=C(COc1ccc(C<mask_1:6>)cc1Cl)NCc1cccc(CN2CCOCC2)c1<mask_1:6>
1
13
6
l
6
O=C(COc1ccc(C(F)(F))cc1Cl)NCc1cccc(CN2CCOCC2)c1
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
(F)(F)
<|startoftext|><L>O=C(COc1ccc(Cl)cc1C<mask_1:6>1cccc(CN2CCOCC2)c1<mask_1:6>
5
19
6
l)NCc
6
O=C(COc1ccc(Cl)cc1Cl)NCCc1cccc(CN2CCOCC2)c1
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
l)NCCc
<|startoftext|><L>O=C(CO<mask_1:4>cc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1<mask_1:4>
3
6
4
c1c
4
O=C(COCc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
Cc1c
<|startoftext|><L>O<mask_1:5>C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1<mask_1:5>
1
1
5
=
5
O=C(O)C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
=C(O)
<|startoftext|><L>O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2<mask_1:6>CC2)c1<mask_1:6>
3
33
6
CCO
6
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCC(O)CC2)c1
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
CCC(O)
<|startoftext|><L>O=C(COc1ccc(Cl)cc1Cl)NCc1ccc<mask_1:5>COCC2)c1<mask_1:5>
6
28
5
c(CN2C
5
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(N2CCOCC2)c1
O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCOCC2)c1
c(N2C
<|startoftext|><L>COc1ccccc1-c1cccc<mask_1:6>C(=O)NCCC[C@H]2CCOC2)c1<mask_1:6>
2
17
6
(N
6
COc1ccccc1-c1cccc(CN(C)C(=O)NCCC[C@H]2CCOC2)c1
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
(CN(C)
<|startoftext|><L>COc1ccccc1-c1cccc(NC(=O)NCCC<mask_1:4>C@H]2CCOC2)c1<mask_1:4>
1
28
4
[
4
COc1ccccc1-c1cccc(NC(=O)NCCCCOC[C@H]2CCOC2)c1
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
COC[
<|startoftext|><L>COc1ccccc1-c1c<mask_1:2>(NC(=O)NCCC[C@H]2CCOC2)c1<mask_1:2>
3
14
2
ccc
2
COc1ccccc1-c1csc(NC(=O)NCCC[C@H]2CCOC2)c1
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
sc
<|startoftext|><L>COc1ccccc1-c1cccc(NC(=O)<mask_1:5>[C@H]2CCOC2)c1<mask_1:5>
4
24
5
NCCC
5
COc1ccccc1-c1cccc(NC(=O)N(C)C[C@H]2CCOC2)c1
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
N(C)C
<|startoftext|><L>COc1ccccc1-c1ccc<mask_1:4>(NC(=O)NCCC[C@H]2CCOC2)c1<mask_1:4>
1
16
4
c
4
COc1ccccc1-c1ccc(O)c(NC(=O)NCCC[C@H]2CCOC2)c1
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
(O)c
<|startoftext|><L>COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCO<mask_1:4>)c1<mask_1:4>
2
37
4
C2
4
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2=O)c1
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
C2=O
<|startoftext|><L><mask_1:1>COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1<mask_1:1>
0
0
1
1
CCOc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
C
<|startoftext|><L>COc1ccccc1-c1cccc(NC<mask_1:4>CC[C@H]2CCOC2)c1<mask_1:4>
6
20
4
(=O)NC
4
COc1ccccc1-c1cccc(NC(=O)CC[C@H]2CCOC2)c1
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
(=O)
<|startoftext|><L>COc1ccccc1-c1cccc(<mask_1:5>=O)NCCC[C@H]2CCOC2)c1<mask_1:5>
3
18
5
NC(
5
COc1ccccc1-c1cccc(OCCC(=O)NCCC[C@H]2CCOC2)c1
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
OCCC(
<|startoftext|><L>COc1ccccc1<mask_1:4>c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1<mask_1:4>
1
10
4
-
4
COc1ccccc1C#CCc1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
COc1ccccc1-c1cccc(NC(=O)NCCC[C@H]2CCOC2)c1
C#CC
<|startoftext|><L>C<mask_1:2>Cn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21<mask_1:2>
0
1
2
2
C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
=C
<|startoftext|><L>CCn1c(SCC(=O)Nc2sccc2C(N)=O<mask_1:3>nc2ccccc21<mask_1:3>
1
27
3
)
3
CCn1c(SCC(=O)Nc2sccc2C(N)=O)ncnc2ccccc21
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
)nc
<|startoftext|><L>CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2cccc<mask_1:3>c21<mask_1:3>
0
35
3
3
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2cccc(F)c21
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
(F)
<|startoftext|><L>CCn1c(SCC(=O<mask_1:5>2sccc2C(N)=O)nc2ccccc21<mask_1:5>
3
12
5
)Nc
5
CCn1c(SCC(=O)NCCc2sccc2C(N)=O)nc2ccccc21
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
)NCCc
<|startoftext|><L>CCn1<mask_1:4>(=O)Nc2sccc2C(N)=O)nc2ccccc21<mask_1:4>
5
4
4
c(SCC
4
CCn1c(CC(=O)Nc2sccc2C(N)=O)nc2ccccc21
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
c(CC
<|startoftext|><L>CCn1<mask_1:3>(=O)Nc2sccc2C(N)=O)nc2ccccc21<mask_1:3>
5
4
3
c(SCC
3
CCn1c(C(=O)Nc2sccc2C(N)=O)nc2ccccc21
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
c(C
<|startoftext|><L>CCn1c(SCC<mask_1:1>O)Nc2sccc2C(N)=O)nc2ccccc21<mask_1:1>
2
9
1
(=
1
CCn1c(SCC(O)Nc2sccc2C(N)=O)nc2ccccc21
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
(
<|startoftext|><L>CCn1c(SCC(=O)Nc2sccc2C(<mask_1:5>)nc2ccccc21<mask_1:5>
4
23
5
N)=O
4
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
N)=O
<|startoftext|><L>CC<mask_1:3>n1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21<mask_1:3>
0
2
3
3
CC(C)n1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
(C)
<|startoftext|><L>CC<mask_1:5>1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21<mask_1:5>
1
2
5
n
5
CC(C)Cn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc21
(C)Cn
<|startoftext|><L>CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C<mask_1:7>1<mask_1:7>
6
45
7
)C3)CC
6
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
)C3)CC
<|startoftext|><L>CN(C)S(=O)(=O)N1CCC(CNC(<mask_1:7>=O)COc2cccc3c2OC(C)(C)C3)CC1<mask_1:7>
0
24
7
7
CN(C)S(=O)(=O)N1CCC(CNC(=O)CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
=O)CNC(
<|startoftext|><L>CN(C)S(=O)(=O)N1<mask_1:6>CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1<mask_1:6>
0
16
6
6
CN(C)S(=O)(=O)N1C(=O)CCCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
C(=O)C
<|startoftext|><L>CN(C)S(=O)(=O)N1CCC(CNC(<mask_1:7>Oc2cccc3c2OC(C)(C)C3)CC1<mask_1:7>
4
24
7
=O)C
7
CN(C)S(=O)(=O)N1CCC(CNC(=O)NCCCOc2cccc3c2OC(C)(C)C3)CC1
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
=O)NCCC
<|startoftext|><L>CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc<mask_1:5>OC(C)(C)C3)CC1<mask_1:5>
3
35
5
3c2
5
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OCOC(C)(C)C3)CC1
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
3c2OC
<|startoftext|><L>CN(C)S(=O)(=O)N1CCC(CNC(=<mask_1:5>Oc2cccc3c2OC(C)(C)C3)CC1<mask_1:5>
3
25
5
O)C
5
CN(C)S(=O)(=O)N1CCC(CNC(=O)CCCOc2cccc3c2OC(C)(C)C3)CC1
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
O)CCC
<|startoftext|><L>CN(C)S(=O)(=O)N1CCC<mask_1:4>=O)COc2cccc3c2OC(C)(C)C3)CC1<mask_1:4>
5
19
4
(CNC(
4
CN(C)S(=O)(=O)N1CCCN(C(=O)COc2cccc3c2OC(C)(C)C3)CC1
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
N(C(
<|startoftext|><L>CN(C)S(=O)(=O)N1C<mask_1:3>C(=O)COc2cccc3c2OC(C)(C)C3)CC1<mask_1:3>
5
17
3
CC(CN
3
CN(C)S(=O)(=O)N1CCN(C(=O)COc2cccc3c2OC(C)(C)C3)CC1
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
CN(
<|startoftext|><L>CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cc<mask_1:6>OC(C)(C)C3)CC1<mask_1:6>
5
33
6
cc3c2
6
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2COC(C)(C)C3)CC1
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
cc3c2C
<|startoftext|><L>CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)<mask_1:3>)CC1<mask_1:3>
2
46
3
C3
2
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
CN(C)S(=O)(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
C3
<|startoftext|><L>C=CCNc1nc(C(=O)OC<mask_1:4>C(=O)Nc2cccc(SC)c2)cs1<mask_1:4>
0
17
4
4
C=CCNc1nc(C(=O)OCCCCNC(=O)Nc2cccc(SC)c2)cs1
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
CCCN
<|startoftext|><L>C=CCNc1nc(C(=O)OCC(=O)N<mask_1:4>ccc(SC)c2)cs1<mask_1:4>
3
23
4
c2c
4
C=CCNc1nc(C(=O)OCC(=O)NCc2cccc(SC)c2)cs1
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
Cc2c
<|startoftext|><L>C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(S<mask_1:5>C)c2)cs1<mask_1:5>
0
31
5
5
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC(=O)C)c2)cs1
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
C(=O)
<|startoftext|><L>C=CCNc1nc(C(=O)<mask_1:3>=O)Nc2cccc(SC)c2)cs1<mask_1:3>
4
15
3
OCC(
3
C=CCNc1nc(C(=O)NC(=O)Nc2cccc(SC)c2)cs1
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
NC(
<|startoftext|><L>C=CCNc1nc(C(=O)OCC(=O)N<mask_1:3>c(SC)c2)cs1<mask_1:3>
5
23
3
c2ccc
3
C=CCNc1nc(C(=O)OCC(=O)N2CCc(SC)c2)cs1
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
2CC
<|startoftext|><L>C=CCNc1nc(C(=O)OCC(=O<mask_1:4>c2cccc(SC)c2)cs1<mask_1:4>
2
21
4
)N
4
C=CCNc1nc(C(=O)OCC(=O)NCCc2cccc(SC)c2)cs1
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
)NCC
<|startoftext|><L>C=CCNc1nc(<mask_1:5>)OCC(=O)Nc2cccc(SC)c2)cs1<mask_1:5>
4
10
5
C(=O
5
C=CCNc1nc(CC(=O)OCC(=O)Nc2cccc(SC)c2)cs1
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
CC(=O
<|startoftext|><L>C=CCNc1nc(C(=O)O<mask_1:2>CC(=O)Nc2cccc(SC)c2)cs1<mask_1:2>
0
16
2
2
C=CCNc1nc(C(=O)OCCCC(=O)Nc2cccc(SC)c2)cs1
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
CC
<|startoftext|><L>C=CC<mask_1:3>c1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1<mask_1:3>
1
4
3
N
3
C=CCNCCc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
NCC
<|startoftext|><L>C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC<mask_1:2>c2)cs1<mask_1:2>
1
32
2
)
2
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SCC)c2)cs1
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1
C)
<|startoftext|><L>Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3<mask_1:4>)c1<mask_1:4>
3
63
4
)C2
3
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
)C2
<|startoftext|><L>Cc1ccc(C)<mask_1:8>C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1<mask_1:8>
3
9
8
c(N
8
Cc1ccc(C)c(NC(=O)C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
c(NC(=O)
<|startoftext|><L>Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(<mask_1:9>[N+](=O)[O-])c3)C2)c1<mask_1:9>
0
48
9
8
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[N+](=O)[O-])c3)C2)c1
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
[N+](=O)
<|startoftext|><L>Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N<mask_1:10>c([N+](=O)[O-])c3)C2)c1<mask_1:10>
9
37
10
(c3ccc(C)
10
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)c([N+](=O)[O-])c3)C2)c1
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
(c3ccc(Br)
<|startoftext|><L>Cc1ccc(C)c(N<mask_1:1>C(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1<mask_1:1>
7
12
1
C(=O)CO
1
Cc1ccc(C)c(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
N
<|startoftext|><L>Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3<mask_1:9>C)c([N+](=O)[O-])c3)C2)c1<mask_1:9>
4
40
9
ccc(
9
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)c([N+](=O)[O-])c3)C2)c1
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
ccc(OC(C)
<|startoftext|><L>Cc1ccc(C)c(NC(=O)COC(=O)[C<mask_1:9>O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1<mask_1:9>
8
26
9
@H]2CC(=
9
Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
@@H]2CC(=
<|startoftext|><L>Cc1ccc(C)c(NC(=O)CO<mask_1:10>]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1<mask_1:10>
9
19
10
C(=O)[C@H
10
Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
C(=O)[C@@H
<|startoftext|><L>Cc1ccc(C)c(NC(=O<mask_1:3>[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1<mask_1:3>
8
16
3
)COC(=O)
3
Cc1ccc(C)c(NC(=O)NC[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
)NC
<|startoftext|><L>Cc1ccc(C)c(NC(=O)C<mask_1:7>[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1<mask_1:7>
6
18
7
OC(=O)
7
Cc1ccc(C)c(NC(=O)CCNC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1
CNC(=O)
<|startoftext|><L>C<mask_1:6>cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC<mask_1:6>
5
1
6
Oc1cc
6
CCOc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
COc1cc
<|startoftext|><L><mask_1:1>COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC<mask_1:1>
0
0
1
1
CCOc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
C
<|startoftext|><L>COc1cccc(C(=O)N2C<mask_1:4>Cc3ccc(C)cc3)CC2)c1OC<mask_1:4>
3
17
4
CN(
4
COc1cccc(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1OC
COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
CCN(
<|startoftext|><L>COc1cccc(C(=O)N2CCN(Cc3c<mask_1:3>c3)CC2)c1OC<mask_1:3>
6
24
3
cc(C)c
3
COc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1OC
COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
ccc
<|startoftext|><L>COc1cccc(<mask_1:4>=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC<mask_1:4>
2
9
4
C(
4
COc1cccc(CNC(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
CNC(
<|startoftext|><L>COc1cccc(C(=O)N2<mask_1:2>CCN(Cc3ccc(C)cc3)CC2)c1OC<mask_1:2>
0
16
2
2
COc1cccc(C(=O)N2CCCCN(Cc3ccc(C)cc3)CC2)c1OC
COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
CC
<|startoftext|><L>COc1cccc(C(=O)N2CC<mask_1:5>Cc3ccc(C)cc3)CC2)c1OC<mask_1:5>
2
18
5
N(
5
COc1cccc(C(=O)N2CCCN(CCCc3ccc(C)cc3)CC2)c1OC
COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
CN(CC
<|startoftext|><L>COc1cccc(C(=O)N2CC<mask_1:5>c3ccc(C)cc3)CC2)c1OC<mask_1:5>
3
18
5
N(C
5
COc1cccc(C(=O)N2CCC(O)(c3ccc(C)cc3)CC2)c1OC
COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
C(O)(
<|startoftext|><L>COc1cccc(C(=O)N2C<mask_1:4>3ccc(C)cc3)CC2)c1OC<mask_1:4>
5
17
4
CN(Cc
4
COc1cccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1OC
COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
CN(c
<|startoftext|><L>COc1cccc(C(=O<mask_1:4>CCN(Cc3ccc(C)cc3)CC2)c1OC<mask_1:4>
3
13
4
)N2
4
COc1cccc(C(=O)NC2CCN(Cc3ccc(C)cc3)CC2)c1OC
COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC
)NC2