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<|startoftext|><L>COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C<mask_1:4>2)cc1Cl<mask_1:4>
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COC(=O)c1ccc(NC(=O)N2Cc3ccccc3CC=CC2)cc1Cl
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
C=CC
<|startoftext|><L>COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)c<mask_1:3>c1Cl<mask_1:3>
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COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)c(F)c1Cl
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
(F)
<|startoftext|><L>COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)<mask_1:5>c1Cl<mask_1:5>
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c
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COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)c(Cl)c1Cl
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
c(Cl)
<|startoftext|><L>COC(=O)c1ccc<mask_1:5>=O)N2Cc3ccccc3C2)cc1Cl<mask_1:5>
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(NC(
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COC(=O)c1ccc(CNC(=O)N2Cc3ccccc3C2)cc1Cl
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
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<|startoftext|><L><mask_1:3>C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl<mask_1:3>
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CO
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CCOC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
CCO
<|startoftext|><L>COC(=O)c1ccc(NC(<mask_1:4>)N2Cc3ccccc3C2)cc1Cl<mask_1:4>
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COC(=O)c1ccc(NC(C)(C)N2Cc3ccccc3C2)cc1Cl
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
C)(C
<|startoftext|><L>COC(=O)c1ccc(NC(=O)N2Cc3c<mask_1:2>C2)cc1Cl<mask_1:2>
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cccc3
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COC(=O)c1ccc(NC(=O)N2Cc3cn3C2)cc1Cl
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
n3
<|startoftext|><L>COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C<mask_1:3>cc1Cl<mask_1:3>
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31
3
2)
3
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3CC2)cc1Cl
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
C2)
<|startoftext|><L>COC(=O)c1ccc(NC(=O)N2Cc3ccccc3<mask_1:3>)cc1Cl<mask_1:3>
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3
C2
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COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2O)cc1Cl
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
C2O
<|startoftext|><L>C<mask_1:4>OC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl<mask_1:4>
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CCCCCOC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1Cl
CCCC
<|startoftext|><L>COc1cccc(C(=O)Nc<mask_1:5>)cc(C)cc2C)c1OC<mask_1:5>
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2c(C
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COc1cccc(C(=O)Nc2c(Cl)cc(C)cc2C)c1OC
COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
2c(Cl
<|startoftext|><L>COc1cccc(C(=O)Nc2c(C)cc(C)c<mask_1:3>C)c1OC<mask_1:3>
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c2
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COc1cccc(C(=O)Nc2c(C)cc(C)cc2CC)c1OC
COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
c2C
<|startoftext|><L><mask_1:2>cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC<mask_1:2>
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COc1
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c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
c1
<|startoftext|><L>COc1cccc(C(=O)Nc2c(C<mask_1:5>)cc(C)cc2C)c1OC<mask_1:5>
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COc1cccc(C(=O)Nc2c(C(N)=O)cc(C)cc2C)c1OC
COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
(N)=O
<|startoftext|><L>COc1cccc(C(=O)N<mask_1:2>2c(C)cc(C)cc2C)c1OC<mask_1:2>
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c
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COc1cccc(C(=O)NCc2c(C)cc(C)cc2C)c1OC
COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
Cc
<|startoftext|><L>COc1cccc(C(=O)Nc2c(C)c<mask_1:4>C)cc2C)c1OC<mask_1:4>
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c(
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COc1cccc(C(=O)Nc2c(C)cc(OCC)cc2C)c1OC
COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
c(OC
<|startoftext|><L>COc1cc<mask_1:5>C(=O)Nc2c(C)cc(C)cc2C)c1OC<mask_1:5>
3
6
5
cc(
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COc1cccc(CNC(=O)Nc2c(C)cc(C)cc2C)c1OC
COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
cc(CN
<|startoftext|><L>COc1cccc(C<mask_1:1>(=O)Nc2c(C)cc(C)cc2C)c1OC<mask_1:1>
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1
COc1cccc(CC(=O)Nc2c(C)cc(C)cc2C)c1OC
COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
C
<|startoftext|><L>COc1cccc(C(=O<mask_1:3>c2c(C)cc(C)cc2C)c1OC<mask_1:3>
2
13
3
)N
3
COc1cccc(C(=O)NCc2c(C)cc(C)cc2C)c1OC
COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
)NC
<|startoftext|><L>COc1cccc(C(=O)N<mask_1:2>2c(C)cc(C)cc2C)c1OC<mask_1:2>
1
15
2
c
2
COc1cccc(C(=O)NCc2c(C)cc(C)cc2C)c1OC
COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC
Cc
<|startoftext|><L>OC<mask_1:5>CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1<mask_1:5>
6
2
5
[C@H]1
5
OC[C]1CCCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
[C]1C
<|startoftext|><L>OC[C@H]1CCCN1c1cc(N2CCC(<mask_1:1>n3cncn3)CC2)ncn1<mask_1:1>
0
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1
OC[C@H]1CCCN1c1cc(N2CCC(Cn3cncn3)CC2)ncn1
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
C
<|startoftext|><L>OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3<mask_1:6>CC2)ncn1<mask_1:6>
1
31
6
)
6
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)(C=O)CC2)ncn1
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
)(C=O)
<|startoftext|><L>OC[C@H]1CCCN1c1cc(N2CCC(n<mask_1:2>n3)CC2)ncn1<mask_1:2>
4
25
2
3cnc
2
OC[C@H]1CCCN1c1cc(N2CCC(n3cn3)CC2)ncn1
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
3c
<|startoftext|><L>OC[C@H]1CCCN1c1cc(N2CCC(n3cn<mask_1:6>C2)ncn1<mask_1:6>
5
28
6
cn3)C
6
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CCC2)ncn1
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
cn3)CC
<|startoftext|><L>OC[<mask_1:3>CCN1c1cc(N2CCC(n3cncn3)CC2)ncn1<mask_1:3>
6
3
3
C@H]1C
3
OC[C]1CCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
C]1
<|startoftext|><L>OC[C@H]1CCCN1c1cc(N2CCC(n3cncn<mask_1:6>2)ncn1<mask_1:6>
4
30
6
3)CC
6
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)(O)C2)ncn1
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
3)(O)C
<|startoftext|><L>OC[C@H<mask_1:6>N1c1cc(N2CCC(n3cncn3)CC2)ncn1<mask_1:6>
5
6
6
]1CCC
6
OC[C@H]1COCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
]1COCC
<|startoftext|><L>OC[C@H]1CCCN1c1cc(N2CCC(n3cn<mask_1:4>n3)CC2)ncn1<mask_1:4>
1
28
4
c
4
OC[C@H]1CCCN1c1cc(N2CCC(n3cnc(O)n3)CC2)ncn1
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
c(O)
<|startoftext|><L>OC<mask_1:5>C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1<mask_1:5>
1
2
5
[
5
OCCCNC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
OC[C@H]1CCCN1c1cc(N2CCC(n3cncn3)CC2)ncn1
CCNC[
<|startoftext|><L>COc1ccccc1/C=C1\SC(=<mask_1:5>S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O<mask_1:5>
0
20
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5
COc1ccccc1/C=C1\SC(=S)C(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
S)C(=
<|startoftext|><L>COc1ccccc1/C=C1\SC(=S)N(CC<mask_1:6>(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O<mask_1:6>
1
26
6
C
6
COc1ccccc1/C=C1\SC(=S)N(CC(=O)NC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
(=O)NC
<|startoftext|><L>COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=<mask_1:7>O<mask_1:7>
8
48
7
O)C2)C1=
7
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1O
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
O)C2)C1
<|startoftext|><L>COc1ccccc1/C=C1\SC(=S)N(CCC(=O)<mask_1:4>2C=CS(=O)(=O)C2)C1=O<mask_1:4>
6
31
4
N[C@H]
4
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NCCN2C=CS(=O)(=O)C2)C1=O
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
NCCN
<|startoftext|><L>COc1ccccc1<mask_1:6>=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O<mask_1:6>
2
10
6
/C
6
COc1ccccc1/C=C/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
/C=C/C
<|startoftext|><L>COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[<mask_1:6>S(=O)(=O)C2)C1=O<mask_1:6>
8
33
6
C@H]2C=C
6
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2CS(=O)(=O)C2)C1=O
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
C@H]2C
<|startoftext|><L><mask_1:4>ccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O<mask_1:4>
6
0
4
COc1cc
4
Cn1cccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
Cn1c
<|startoftext|><L>COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=<mask_1:2>O)C2)C1=O<mask_1:2>
8
40
2
CS(=O)(=
2
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=C(O)C2)C1=O
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
C(
<|startoftext|><L>COc1ccccc1/C<mask_1:8>C(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O<mask_1:8>
5
12
8
=C1\S
9
COc1ccccc1/C=C/C=C1/SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
=C/C=C1/S
<|startoftext|><L>COc1ccccc1/C=C<mask_1:7>N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O<mask_1:7>
8
14
7
1\SC(=S)
8
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O
1\SC(=S)
<|startoftext|><L>CC(C)n1nc(C(=O)N[C@H]2CC[C@H](<mask_1:2>CC2)c2ccccc2c1=O<mask_1:2>
3
30
2
CO)
2
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](N)CC2)c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
N)
<|startoftext|><L>CC(C)n1nc(C(=O)N[C@H]2C<mask_1:1>C@H](CO)CC2)c2ccccc2c1=O<mask_1:1>
2
23
1
C[
1
CC(C)n1nc(C(=O)N[C@H]2C[C@H](CO)CC2)c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
[
<|startoftext|><L>CC(C)n1nc(C(=O)N[C@H]2CC[C@H]<mask_1:5>(CO)CC2)c2ccccc2c1=O<mask_1:5>
0
29
5
5
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](OC)N(CO)CC2)c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
(OC)N
<|startoftext|><L>CC(C)n1nc(C(=O)N[C@H]2CC[C@H](<mask_1:4>)CC2)c2ccccc2c1=O<mask_1:4>
2
30
4
CO
4
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](OCCO)CC2)c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
OCCO
<|startoftext|><L>CC(C)n1nc(C(=O)N[C@H]2CC[C@H](C<mask_1:2>C2)c2ccccc2c1=O<mask_1:2>
3
31
2
O)C
2
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](C)CC2)c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
)C
<|startoftext|><L>CC(C)n1nc(C(=O)N[C@H]2CC[C@H](<mask_1:6>O)CC2)c2ccccc2c1=O<mask_1:6>
1
30
6
C
6
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](NC(N)=O)CC2)c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
NC(N)=
<|startoftext|><L>CC(C)n1nc(C<mask_1:2>N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O<mask_1:2>
4
11
2
(=O)
2
CC(C)n1nc(CCCN[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
CC
<|startoftext|><L>CC(C)n1nc(C(=O)N[C@H]2CC[C@H](C<mask_1:6>CC2)c2ccccc2c1=O<mask_1:6>
2
31
6
O)
6
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
(=O)O)
<|startoftext|><L>CC(C)n1nc(C(=O)N[C@H]2CC[C@H](<mask_1:5>c2ccccc2c1=O<mask_1:5>
7
30
5
CO)CC2)
5
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](O)C2)c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
O)C2)
<|startoftext|><L>CC(C)n1nc(C(=O)N[C@H]2CC[<mask_1:7>CO)CC2)c2ccccc2c1=O<mask_1:7>
5
25
7
C@H](
7
CC(C)n1nc(C(=O)N[C@H]2CC[C@@H](CCO)CC2)c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H]2CC[C@H](CO)CC2)c2ccccc2c1=O
C@@H](C
<|startoftext|><L>CC<mask_1:3>OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1<mask_1:3>
6
2
3
(C)(C)
3
CC(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
(C)
<|startoftext|><L>CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc<mask_1:4>)CC1<mask_1:4>
5
44
4
3)CC2
4
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)C2)CC1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
3)C2
<|startoftext|><L>CC(C)(C)OC(=O)N1CCC(C(=O)N<mask_1:5>CN(C/C=C/c3ccccc3)CC2)CC1<mask_1:5>
2
26
5
2C
5
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2CCN(C/C=C/c3ccccc3)CC2)CC1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
CCC2C
<|startoftext|><L>CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C<mask_1:1>/c3ccccc3)CC2)CC1<mask_1:1>
4
32
1
/C=C
1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(CC/c3ccccc3)CC2)CC1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
C
<|startoftext|><L>CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3cc<mask_1:5>)CC2)CC1<mask_1:5>
4
41
5
ccc3
5
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3F)CC2)CC1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
ccc3F
<|startoftext|><L>CC(C)(C)OC(=O)N1<mask_1:7>(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1<mask_1:7>
3
16
7
CCC
7
CC(C)(C)OC(=O)N1CCC(O)C(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
CCC(O)C
<|startoftext|><L>CC(C)(C)OC(=O)N1CCC(C(=O)N<mask_1:7>/C=C/c3ccccc3)CC2)CC1<mask_1:7>
6
26
7
2CCN(C
7
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(CC/C=C/c3ccccc3)CC2)CC1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
2CCN(CC
<|startoftext|><L>CC(C)(C)OC(=O)N1CCC(<mask_1:2>C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1<mask_1:2>
0
20
2
2
CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
OC
<|startoftext|><L>CC(C)(C)OC(=O)N1CCC(C(=O)<mask_1:2>2CCN(C/C=C/c3ccccc3)CC2)CC1<mask_1:2>
1
25
2
N
2
CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCN(C/C=C/c3ccccc3)CC2)CC1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
NC
<|startoftext|><L>CC(C)(C)<mask_1:2>1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1<mask_1:2>
7
8
2
OC(=O)N
2
CC(C)(C)CN1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
CN
<|startoftext|><L>C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC<mask_1:3>)c1<mask_1:3>
1
44
3
2
3
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2=O)c1
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
2=O
<|startoftext|><L>C[C@H](NC(=<mask_1:6>O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1<mask_1:6>
0
11
6
6
C[C@H](NC(=O)NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
O)NC(=
<|startoftext|><L>C[C@H](NC(=O)[C@H]<mask_1:1>c2ccccc2O1)c1cccc(N2CCCC2)c1<mask_1:1>
2
18
1
1C
1
C[C@H](NC(=O)[C@H]1c2ccccc2O1)c1cccc(N2CCCC2)c1
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
1
<|startoftext|><L>C[C@<mask_1:4>NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1<mask_1:4>
3
4
4
H](
4
C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
@H](
<|startoftext|><L>C[C@<mask_1:4>(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1<mask_1:4>
5
4
4
H](NC
4
C[C@H](C(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
H](C
<|startoftext|><L>C[C@H](NC(=O)[C@H]1Cc2c<mask_1:3>2O1)c1cccc(N2CCCC2)c1<mask_1:3>
4
23
3
cccc
4
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
cccc
<|startoftext|><L>C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2C<mask_1:7>2)c1<mask_1:7>
3
41
7
CCC
7
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCN(C)CC2)c1
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
CN(C)CC
<|startoftext|><L>C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCC<mask_1:5>c1<mask_1:5>
3
43
5
C2)
5
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2=O)c1
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
C2=O)
<|startoftext|><L>C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N<mask_1:3>c1<mask_1:3>
7
39
3
2CCCC2)
3
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N=O)c1
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
=O)
<|startoftext|><L>C[C@H](NC(=O)[C@H]1Cc2cccc<mask_1:2>1)c1cccc(N2CCCC2)c1<mask_1:2>
3
26
2
c2O
2
C[C@H](NC(=O)[C@H]1Cc2ccccc21)c1cccc(N2CCCC2)c1
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1
c2
<|startoftext|><L><mask_1:3>1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1<mask_1:3>
2
0
3
Cc
3
COc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
COc
<|startoftext|><L>Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cc<mask_1:6>c1<mask_1:6>
3
50
6
cc2
6
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)ccc(C)c2c1
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
c(C)c2
<|startoftext|><L>Cc1cnc2c(S(=O)(=O)N(Cc3nn<mask_1:4>ccc4Cl)o3)C(C)C)cccc2c1<mask_1:4>
7
25
4
c(-c4cc
4
Cc1cnc2c(S(=O)(=O)N(Cc3nn(-c4ccc4Cl)o3)C(C)C)cccc2c1
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
(-c4
<|startoftext|><L>Cc1cnc2c(S(=O)(=O)N(Cc3nnc(<mask_1:3>cc4Cl)o3)C(C)C)cccc2c1<mask_1:3>
6
27
3
-c4ccc
3
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-n4cc4Cl)o3)C(C)C)cccc2c1
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
-n4
<|startoftext|><L>Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4<mask_1:6>)o3)C(C)C)cccc2c1<mask_1:6>
8
30
6
ccccc4Cl
6
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4)o3)C(C)C)cccc2c1
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
ccccc4
<|startoftext|><L>Cc1cnc2c<mask_1:5>O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1<mask_1:5>
8
8
5
(S(=O)(=
5
Cc1cnc2c(NC(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
(NC(=
<|startoftext|><L>Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o<mask_1:8>)C(C)C)cccc2c1<mask_1:8>
1
40
8
3
8
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)CC(C#N)C(C)C)cccc2c1
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
3)CC(C#N
<|startoftext|><L>Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)<mask_1:4>C)cccc2c1<mask_1:4>
0
46
4
4
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)(C)OC)cccc2c1
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
(C)O
<|startoftext|><L>Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c<mask_1:2>ccc4Cl)o3)C(C)C)cccc2c1<mask_1:2>
3
29
2
4cc
2
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4sccc4Cl)o3)C(C)C)cccc2c1
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
4s
<|startoftext|><L>Cc1c<mask_1:6>2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1<mask_1:6>
2
4
6
nc
6
Cc1cc(=O)n2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
Cc1cnc2c(S(=O)(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cccc2c1
c(=O)n
<|startoftext|><L>O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC<mask_1:4>CO)C1)c1ccccc1<mask_1:4>
6
32
4
[C@]2(
4
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC2(CCCO)C1)c1ccccc1
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
2(CC
<|startoftext|><L>O=<mask_1:7>=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1<mask_1:7>
2
2
7
S(
7
O=C(O)CS(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
C(O)CS(
<|startoftext|><L>O=S(=O)(Cc<mask_1:3>cc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1<mask_1:3>
4
10
3
1ccc
3
O=S(=O)(Cc1nocc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
1no
<|startoftext|><L>O=S(=O)(Cc1ccccc1CN1C[C@@H]2COC<mask_1:5>CO)C1)c1ccccc1<mask_1:5>
7
31
5
C[C@]2(
5
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC2(CCCO)C1)c1ccccc1
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
C2(CC
<|startoftext|><L>O=S(=O)(Cc1ccccc1CN1<mask_1:2>[C@@H]2COCC[C@]2(CO)C1)c1ccccc1<mask_1:2>
1
20
2
C
2
O=S(=O)(Cc1ccccc1CN1CC[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
CC
<|startoftext|><L>O=S(=O)(Cc1ccccc1CN1C[C@@H]2C<mask_1:4>[C@]2(CO)C1)c1ccccc1<mask_1:4>
3
29
4
OCC
4
O=S(=O)(Cc1ccccc1CN1C[C@@H]2CN=CC[C@]2(CO)C1)c1ccccc1
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
N=CC
<|startoftext|><L>O=S(=O)(Cc1ccccc1CN1C[<mask_1:2>H]2COCC[C@]2(CO)C1)c1ccccc1<mask_1:2>
3
22
2
C@@
2
O=S(=O)(Cc1ccccc1CN1C[C@H]2COCC[C@]2(CO)C1)c1ccccc1
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
C@
<|startoftext|><L>O=S(=O)(Cc1ccccc1CN1C[C<mask_1:1>H]2COCC[C@]2(CO)C1)c1ccccc1<mask_1:1>
2
23
1
@@
1
O=S(=O)(Cc1ccccc1CN1C[C@H]2COCC[C@]2(CO)C1)c1ccccc1
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
@
<|startoftext|><L>O=S(=O)(Cc1ccccc1CN1C[C@@H]2COC<mask_1:4>@]2(CO)C1)c1ccccc1<mask_1:4>
3
31
4
C[C
4
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@@]2(CO)C1)c1ccccc1
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
C[C@
<|startoftext|><L>O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@<mask_1:7>(CO)C1)c1ccccc1<mask_1:7>
2
35
7
]2
7
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C(CO)C1)c1ccccc1
O=S(=O)(Cc1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1)c1ccccc1
]2(CO)C
<|startoftext|><L>CC(<mask_1:6>C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1<mask_1:6>
4
3
6
C)N(
6
CC(C)(CCNC(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
C)(CCN
<|startoftext|><L>CC(C)N(C(=O)CN<mask_1:3>)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1<mask_1:3>
0
14
3
3
CC(C)N(C(=O)CN(C))[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
(C)
<|startoftext|><L>CC(C)N(C(=O)C<mask_1:7>@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1<mask_1:7>
4
13
7
N)[C
7
CC(C)N(C(=O)C1CC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
1CC1)[C
<|startoftext|><L>C<mask_1:5>)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1<mask_1:5>
3
1
5
C(C
5
COC(=O)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
OC(=O
<|startoftext|><L>CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2cc<mask_1:2>ccc2)CC1<mask_1:2>
0
41
2
2
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccccc2)CC1
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
cc
<|startoftext|><L>CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC<mask_1:7>Cc2ccccc2)CC1<mask_1:7>
5
31
7
(=O)O
7
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)NCCCc2ccccc2)CC1
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
(=O)NCC
<|startoftext|><L>CC<mask_1:6>=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1<mask_1:6>
7
2
6
(C)N(C(
6
CCCCN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
CCN(C(
<|startoftext|><L>CC(C<mask_1:6>=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1<mask_1:6>
5
4
6
)N(C(
6
CC(C)(CNC(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
)(CNC(
<|startoftext|><L>CC(C)N(C(=O)CN)[C@H]<mask_1:4>1CC[C@H](NC(=O)OCc2ccccc2)CC1<mask_1:4>
0
20
4
4
CC(C)N(C(=O)CN)[C@H](C)N1CC[C@H](NC(=O)OCc2ccccc2)CC1
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
(C)N
<|startoftext|><L>CC(C)N(C(=O)C<mask_1:3>]1CC[C@H](NC(=O)OCc2ccccc2)CC1<mask_1:3>
6
13
3
N)[C@H
3
CC(C)N(C(=O)C)[C]1CC[C@H](NC(=O)OCc2ccccc2)CC1
CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1
)[C