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COC(=O)/C(=N)/C(C#N)=N/[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O
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COC(=N)/C(C#N)=N/[C@H]1OC[C@@H](OC)O[C@@H](O)[C@H]1O
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COC(=N)/C(C#N)=N/[C@H]1OC[C@@H](OC(C))[C@@H](O)[C@H]1O
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O)/
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COC(=O)c1cccc(OC(=O)CO/C=C/c2ccc(-c3ccccc3)s2)c1
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COC(=O)c1cccc(CNC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
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c2ccc
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COC(=O)c1cccc(OC(=O)/C=C/c2cn(-c3ccccc3)s2)c1
COC(=O)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
c2cn
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O
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CCOC(=O)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
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CO
<|startoftext|><L>COC(=O)c1cc<mask_1:6>(=O)/C=C/c2ccc(-c3ccccc3)s2)c1<mask_1:6>
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11
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cc(OC
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COC(=O)c1cccc(CNC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
COC(=O)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
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<|startoftext|><L>COC<mask_1:5>)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1<mask_1:5>
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COCCC(=O)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
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<|startoftext|><L>COC(=O)<mask_1:4>c(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1<mask_1:4>
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c1ccc
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COC(=O)c1coc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
COC(=O)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
c1co
<|startoftext|><L>COC(=O)c1cccc(OC(<mask_1:6>)/C=C/c2ccc(-c3ccccc3)s2)c1<mask_1:6>
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COC(=O)c1cccc(OC(=O)N(C)/C=C/c2ccc(-c3ccccc3)s2)c1
COC(=O)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
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<|startoftext|><L>COC<mask_1:4>=O)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1<mask_1:4>
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COCCNC(=O)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
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<|startoftext|><L>COC(=O)c1cccc(OC(=<mask_1:4>C/c2ccc(-c3ccccc3)s2)c1<mask_1:4>
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O)/C=
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COC(=O)c1cccc(OC(=O)/CC/c2ccc(-c3ccccc3)s2)c1
COC(=O)c1cccc(OC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1
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<|startoftext|><L>O=C(CCc1ccccc1Br)c1ccc(N2CCO<mask_1:4>c1<mask_1:4>
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28
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CC2)c
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O=C(CCc1ccccc1Br)c1ccc(NCC2CCOCC2)cc1
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CC
<|startoftext|><L>O=C(C<mask_1:2>cccc1Br)c1ccc(N2CCOCC2)cc1<mask_1:2>
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5
2
Cc1c
2
O=C(Cn1cccc1Br)c1ccc(N2CCOCC2)cc1
O=C(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1
n1
<|startoftext|><L>O=C(CCc1ccccc<mask_1:3>c1ccc(N2CCOCC2)cc1<mask_1:3>
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13
3
1Br)
3
O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1
O=C(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1
1)N
<|startoftext|><L>O=C(CCc1ccccc1Br)c1ccc(N2CC<mask_1:3>cc1<mask_1:3>
5
27
3
OCC2)
3
O=C(CCc1ccccc1Br)c1ccc(N2CCC2)cc1
O=C(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1
C2)
<|startoftext|><L>O=C(CCc1ccccc<mask_1:5>)c1ccc(N2CCOCC2)cc1<mask_1:5>
3
13
5
1Br
5
O=C(CCc1ccccc1)N(O)c1ccc(N2CCOCC2)cc1
O=C(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1
1)N(O
<|startoftext|><L>O=C(CCc1ccccc1Br)c1ccc(N2CC<mask_1:3>)cc1<mask_1:3>
4
27
3
OCC2
3
O=C(CCc1ccccc1Br)c1ccc(N2CCCC2)cc1
O=C(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1
CC2
<|startoftext|><L><mask_1:1>(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1<mask_1:1>
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0
1
O=C
1
C(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1
O=C(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1
C
<|startoftext|><L>O=C(CCc1ccccc1Br)c1ccc(N2CCOC<mask_1:3>1<mask_1:3>
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29
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C2)cc
3
O=C(CCc1ccccc1Br)c1ccc(N2CCOC2)s1
O=C(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1
2)s
<|startoftext|><L>O<mask_1:3>c1ccccc1Br)c1ccc(N2CCOCC2)cc1<mask_1:3>
5
1
3
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3
O=C(c1ccccc1Br)c1ccc(N2CCOCC2)cc1
O=C(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1
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<|startoftext|><L>CC(C)C<mask_1:3>O[C@H](COC(=O)/C=C/c2cccs2)C1<mask_1:3>
4
6
3
N1CC
3
CC(C)CN1CO[C@H](COC(=O)/C=C/c2cccs2)C1
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
N1C
<|startoftext|><L>CC(C)CN1CCO[C@H](<mask_1:5>OC(=O)/C=C/c2cccs2)C1<mask_1:5>
1
17
5
C
5
CC(C)CN1CCO[C@H](C(=O)OC(=O)/C=C/c2cccs2)C1
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
C(=O)
<|startoftext|><L>CC(C)CN1C<mask_1:4>[C@H](COC(=O)/C=C/c2cccs2)C1<mask_1:4>
2
9
4
CO
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CC(C)CN1C(=O)[C@H](COC(=O)/C=C/c2cccs2)C1
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
(=O)
<|startoftext|><L>CC(<mask_1:5>N1CCO[C@H](COC(=O)/C=C/c2cccs2)C1<mask_1:5>
3
3
5
C)C
5
CC(C)(C)N1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
C)(C)
<|startoftext|><L>CC(C)CN1CCO[C@H](COC(=O)/C=C/c2c<mask_1:5>)C1<mask_1:5>
4
32
5
ccs2
5
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2ccccc2)C1
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
cccc2
<|startoftext|><L>CC(C)CN1CCO[C@H](<mask_1:4>OC(=O)/C=C/c2cccs2)C1<mask_1:4>
1
17
4
C
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CC(C)CN1CCO[C@H](CNCCOC(=O)/C=C/c2cccs2)C1
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
CNCC
<|startoftext|><L>CC(C)CN1CCO[C@H](CO<mask_1:4>=O)/C=C/c2cccs2)C1<mask_1:4>
2
19
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C(
4
CC(C)CN1CCO[C@H](COCNC(=O)/C=C/c2cccs2)C1
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
CNC(
<|startoftext|><L>CC(C)CN1CCO[C<mask_1:4>](COC(=O)/C=C/c2cccs2)C1<mask_1:4>
2
13
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@H
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CC(C)CN1CCO[C@@H](COC(=O)/C=C/c2cccs2)C1
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
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<|startoftext|><L>CC(C)CN1CCO<mask_1:3>C@H](COC(=O)/C=C/c2cccs2)C1<mask_1:3>
1
11
3
[
3
CC(C)CN1CCOCC[C@H](COC(=O)/C=C/c2cccs2)C1
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
CC[
<|startoftext|><L>CC(<mask_1:2>1CCO[C@H](COC(=O)/C=C/c2cccs2)C1<mask_1:2>
4
3
2
C)CN
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CC(C)1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
CC(C)CN1CCO[C@H](COC(=O)/C=C/c2cccs2)C1
C)
<|startoftext|><L>CCNC(=O)[C@@H]1C[C@H<mask_1:4>NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1<mask_1:4>
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20
4
](
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CCNC(=O)[C@@H]1C[C@H](NCNC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
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<|startoftext|><L>CCNC(=O)[C@@H]1C[C@H]<mask_1:8>c2c[nH]c(C)cc2=O)CN1Cc1ccoc1<mask_1:8>
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21
8
(NC(=O)
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CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2c[nH]c(C)cc2=O)CN1Cc1ccoc1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
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<|startoftext|><L>CCNC(=O)<mask_1:3>C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1<mask_1:3>
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8
3
[
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CCNC(=O)CC[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
CC[
<|startoftext|><L>CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)c<mask_1:2>)CN1Cc1ccoc1<mask_1:2>
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40
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c2=O
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CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)c2C)CN1Cc1ccoc1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
2C
<|startoftext|><L>CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c<mask_1:4>)cc2=O)CN1Cc1ccoc1<mask_1:4>
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36
4
(C
4
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)cc2=O)CN1Cc1ccoc1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
(C#N
<|startoftext|><L>CCNC(=O)[C@@H]1C[C@H](NC(=O<mask_1:5>c[nH]c(C)cc2=O)CN1Cc1ccoc1<mask_1:5>
3
27
5
)c2
5
CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2c[nH]c(C)cc2=O)CN1Cc1ccoc1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
)CCc2
<|startoftext|><L>CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN<mask_1:2>1ccoc1<mask_1:2>
3
47
2
1Cc
2
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1c1ccoc1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
1c
<|startoftext|><L>CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=<mask_1:5>N1Cc1ccoc1<mask_1:5>
3
43
5
O)C
5
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CCCN1Cc1ccoc1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
O)CCC
<|startoftext|><L>C<mask_1:7>O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1<mask_1:7>
5
1
7
CNC(=
7
CC[C@H](O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
C[C@H](
<|startoftext|><L>CCNC(=O)[C@@H]1C[C@H](<mask_1:6>C(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1<mask_1:6>
1
22
6
N
6
CCNC(=O)[C@@H]1C[C@H](NC(=O)C(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(C)cc2=O)CN1Cc1ccoc1
NC(=O)
<|startoftext|><L>CC(C)(C)CC(=O)N1CCC[C@<mask_1:1>](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1<mask_1:1>
2
22
1
@H
1
CC(C)(C)CC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
H
<|startoftext|><L>C<mask_1:6>C(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1<mask_1:6>
0
1
6
6
COC(=O)C(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
OC(=O)
<|startoftext|><L>CC(C)(C)CC(=O)N1CCC[C@@H]<mask_1:3>c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1<mask_1:3>
1
25
3
(
3
CC(C)(C)CC(=O)N1CCC[C@@H](CCc2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
(CC
<|startoftext|><L>CC(C)(<mask_1:4>=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1<mask_1:4>
5
6
4
C)CC(
4
CC(C)(C)C(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
C)C(
<|startoftext|><L>CC(C)(C)CC(=O)N1CCC[C@@H]<mask_1:5>2nc(O)c3nnn(Cc4ccccc4)c3n2)C1<mask_1:5>
2
25
5
(c
5
CC(C)(C)CC(=O)N1CCC[C@@H](CSCc2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
(CSCc
<|startoftext|><L>CC(C)(C)CC(=O)N1CCC<mask_1:7>(c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1<mask_1:7>
6
19
7
[C@@H]
7
CC(C)(C)CC(=O)N1CCC[C@](C)(c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
[C@](C)
<|startoftext|><L>CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn<mask_1:1>c4ccccc4)c3n2)C1<mask_1:1>
2
38
1
(C
1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(c4ccccc4)c3n2)C1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
(
<|startoftext|><L>CC(C)(C)CC(=O)N1<mask_1:1>C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1<mask_1:1>
4
16
1
CCC[
1
CC(C)(C)CC(=O)N1[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
[
<|startoftext|><L>CC(C)(C)<mask_1:8>O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1<mask_1:8>
4
8
8
CC(=
8
CC(C)(C)NS(=O)(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
NS(=O)(=
<|startoftext|><L>CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4c<mask_1:8>4)c3n2)C1<mask_1:8>
4
43
8
cccc
8
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4cccc(Cl)c4)c3n2)C1
CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1
ccc(Cl)c
<|startoftext|><L>CC(=O)N1C<mask_1:3>C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1<mask_1:3>
2
9
3
C[
3
CC(=O)N1CCC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
CC[
<|startoftext|><L>CC(=O)N1CC[C@@H](O)<mask_1:3>2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1<mask_1:3>
5
19
3
[C@H]
3
CC(=O)N1CC[C@@H](O)CCN2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
CCN
<|startoftext|><L>CC(=O)N1CC[C@@H](O)[C@H]2<mask_1:8>(C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1<mask_1:8>
6
25
8
[C@@H]
8
CC(=O)N1CC[C@@H](O)[C@H]2C[C@](C)(C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
C[C@](C)
<|startoftext|><L>C<mask_1:5>)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1<mask_1:5>
4
1
5
C(=O
5
CCC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
CC(=O
<|startoftext|><L>CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc1<mask_1:6>C@H]2c1ccccc1<mask_1:6>
4
52
6
3)C[
6
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)CCO[C@H]2c1ccccc1
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
3)CCO[
<|startoftext|><L>CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]<mask_1:9>C@H]2c1ccccc1<mask_1:9>
8
48
9
cnc13)C[
9
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)CC[C@H]2c1ccccc1
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
cnc13)CC[
<|startoftext|><L>CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1<mask_1:9>ncnc3[nH]cnc13)C[C@H]2c1ccccc1<mask_1:9>
5
34
9
)N(c1
9
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(CCCOc1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
)N(CCCOc1
<|startoftext|><L>CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc<mask_1:6>2c1ccccc1<mask_1:6>
9
51
6
13)C[C@H]
6
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)CCN2c1ccccc1
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
13)CCN
<|startoftext|><L>CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C<mask_1:6>ccccc1<mask_1:6>
8
55
6
[C@H]2c1
6
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)CCN2Cc1ccccc1
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
CN2Cc1
<|startoftext|><L>CC(=O)N1CC[C@@H](O)[C@H]<mask_1:7>](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1<mask_1:7>
6
24
7
2[C@@H
6
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
CC(=O)N1CC[C@@H](O)[C@H]2[C@@H](C1)N(c1ncnc3[nH]cnc13)C[C@H]2c1ccccc1
2[C@@H
<|startoftext|><L>O=C(C1CCN(c2ccc(Cl)nn<mask_1:3>CC1)N1CCCC1<mask_1:3>
2
21
3
2)
3
O=C(C1CCN(c2ccc(Cl)nn2)CCC1)N1CCCC1
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
2)C
<|startoftext|><L>O=C(<mask_1:5>N(c2ccc(Cl)nn2)CC1)N1CCCC1<mask_1:5>
4
4
5
C1CC
5
O=C(CN1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
CN1CC
<|startoftext|><L>O=C(C1CCN(c2ccc(C<mask_1:2>2)CC1)N1CCCC1<mask_1:2>
4
17
2
l)nn
2
O=C(C1CCN(c2ccc(C)o2)CC1)N1CCCC1
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
)o
<|startoftext|><L>O=C(C1CCN(c2ccc(Cl)nn2)CC1)N<mask_1:4>1<mask_1:4>
5
28
4
1CCCC
4
O=C(C1CCN(c2ccc(Cl)nn2)CC1)NC1CC1
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
C1CC
<|startoftext|><L>O=C(C1CCN(c2ccc(Cl)n<mask_1:4>CC1)N1CCCC1<mask_1:4>
3
20
4
n2)
4
O=C(C1CCN(c2ccc(Cl)nc2S)CC1)N1CCCC1
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
c2S)
<|startoftext|><L>O=C(C1CCN(c2c<mask_1:2>)nn2)CC1)N1CCCC1<mask_1:2>
5
13
2
cc(Cl
2
O=C(C1CCN(c2c(F)nn2)CC1)N1CCCC1
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
(F
<|startoftext|><L>O=C(C1CCN(c2ccc(C<mask_1:4>n2)CC1)N1CCCC1<mask_1:4>
3
17
4
l)n
4
O=C(C1CCN(c2ccc(C#N)cn2)CC1)N1CCCC1
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
#N)c
<|startoftext|><L>O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CC<mask_1:5>CC1<mask_1:5>
0
31
5
5
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCN(C)CC1
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
CN(C)
<|startoftext|><L>O=C(C1CCN(c2ccc(Cl)nn2)C<mask_1:1>)N1CCCC1<mask_1:1>
2
24
1
C1
1
O=C(C1CCN(c2ccc(Cl)nn2)C1)N1CCCC1
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
1
<|startoftext|><L>O=C(C1CCN(c2ccc(Cl)nn<mask_1:4>C1)N1CCCC1<mask_1:4>
3
21
4
2)C
4
O=C(C1CCN(c2ccc(Cl)nn2)CCC1)N1CCCC1
O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCCC1
2)CC
<|startoftext|><L>c1csc(N2C<mask_1:3>CCc3ccc4c(c3)OCO4)CC2)n1<mask_1:3>
4
9
3
CC(N
3
c1csc(N2CCN(CCc3ccc4c(c3)OCO4)CC2)n1
c1csc(N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
CN(
<|startoftext|><L>c1csc(N2CCC(NCCc3ccc4c(c3<mask_1:2>O4)CC2)n1<mask_1:2>
3
25
2
)OC
2
c1csc(N2CCC(NCCc3ccc4c(c3)CO4)CC2)n1
c1csc(N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
)C
<|startoftext|><L>c1csc(N2CCC(NCC<mask_1:5>c3ccc4c(c3)OCO4)CC2)n1<mask_1:5>
0
15
5
5
c1csc(N2CCC(NCCN(C)Cc3ccc4c(c3)OCO4)CC2)n1
c1csc(N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
N(C)C
<|startoftext|><L>c1csc(N2CCC<mask_1:2>Cc3ccc4c(c3)OCO4)CC2)n1<mask_1:2>
3
11
2
(NC
2
c1csc(N2CCCN(Cc3ccc4c(c3)OCO4)CC2)n1
c1csc(N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
N(
<|startoftext|><L>c1csc(N2CCC<mask_1:2>c3ccc4c(c3)OCO4)CC2)n1<mask_1:2>
4
11
2
(NCC
2
c1csc(N2CCC(Nc3ccc4c(c3)OCO4)CC2)n1
c1csc(N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
(N
<|startoftext|><L>c1csc(N2CCC(NCCc3ccc4c(c3)O<mask_1:2>CC2)n1<mask_1:2>
4
27
2
CO4)
2
c1csc(N2CCC(NCCc3ccc4c(c3)O4)CC2)n1
c1csc(N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
4)
<|startoftext|><L>c1csc(N<mask_1:4>C(NCCc3ccc4c(c3)OCO4)CC2)n1<mask_1:4>
3
7
4
2CC
4
c1csc(NC2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
c1csc(N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
C2CC
<|startoftext|><L>c1csc(<mask_1:5>N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1<mask_1:5>
0
6
5
5
c1csc(C(=S)N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
c1csc(N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
C(=S)
<|startoftext|><L>c1csc(N2CC<mask_1:4>NCCc3ccc4c(c3)OCO4)CC2)n1<mask_1:4>
2
10
4
C(
4
c1csc(N2CCN(CCNCCc3ccc4c(c3)OCO4)CC2)n1
c1csc(N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
N(CC
<|startoftext|><L>c1csc(N2CCC(NCCc3ccc4c(c3)<mask_1:5>)CC2)n1<mask_1:5>
4
26
5
OCO4
5
c1csc(N2CCC(NCCc3ccc4c(c3)OCCO4)CC2)n1
c1csc(N2CCC(NCCc3ccc4c(c3)OCO4)CC2)n1
OCCO4