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CCNC(=O)c1cccc(C(=O)c2ccoc2)c1
CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
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<|startoftext|><L>C<mask_1:2>(=O)c1cccc(NC(=O)c2ccoc2)c1<mask_1:2>
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CNC
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COC(=O)c1cccc(NC(=O)c2ccoc2)c1
CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
OC
<|startoftext|><L>CC<mask_1:4>(=O)c1cccc(NC(=O)c2ccoc2)c1<mask_1:4>
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NC
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CCCCOC(=O)c1cccc(NC(=O)c2ccoc2)c1
CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
CCOC
<|startoftext|><L>CCNC<mask_1:2>c1cccc(NC(=O)c2ccoc2)c1<mask_1:2>
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CCNCCOc1cccc(NC(=O)c2ccoc2)c1
CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
CO
<|startoftext|><L><mask_1:4>NC(=O)c1cccc(NC(=O)c2ccoc2)c1<mask_1:4>
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CC
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C=CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
C=CC
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CN
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C#CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
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<|startoftext|><L>CCNC(=O)c1cccc(NC(=O)c2cc<mask_1:4>)c1<mask_1:4>
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oc2
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CCNC(=O)c1cccc(NC(=O)c2cccnc2)c1
CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
cnc2
<|startoftext|><L>CCNC(=O)c1cccc(<mask_1:1>(=O)c2ccoc2)c1<mask_1:1>
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NC
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CCNC(=O)c1cccc(C(=O)c2ccoc2)c1
CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
C
<|startoftext|><L>CCNC<mask_1:4>)c1cccc(NC(=O)c2ccoc2)c1<mask_1:4>
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CCNCC(=O)c1cccc(NC(=O)c2ccoc2)c1
CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
C(=O
<|startoftext|><L>CCNC(=O)c1ccc<mask_1:3>(NC(=O)c2ccoc2)c1<mask_1:3>
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c
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CCNC(=O)c1ccc(C)(NC(=O)c2ccoc2)c1
CCNC(=O)c1cccc(NC(=O)c2ccoc2)c1
(C)
<|startoftext|><L>CC[C@@H]1CN<mask_1:5>=O)NCCCCn2ccccc2=O)CCS1<mask_1:5>
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CC[C@@H]1CN(CCC(=O)NCCCCn2ccccc2=O)CCS1
CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
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<|startoftext|><L>C<mask_1:2>H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1<mask_1:2>
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C[C@@
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C[CH]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
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<|startoftext|><L>CC[C@@H]1CN(C(<mask_1:4>O)NCCCCn2ccccc2=O)CCS1<mask_1:4>
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=
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CC[C@@H]1CN(C(C)C(O)NCCCCn2ccccc2=O)CCS1
CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
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<|startoftext|><L>CC[C@@H]1CN(C(=O)N<mask_1:2>n2ccccc2=O)CCS1<mask_1:2>
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CCCC
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CC[C@@H]1CN(C(=O)NCCn2ccccc2=O)CCS1
CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
CC
<|startoftext|><L>CC<mask_1:4>]1CN(C(=O)NCCCCn2ccccc2=O)CCS1<mask_1:4>
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[C@@H
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CC[C@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
[C@H
<|startoftext|><L>CC<mask_1:5>H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1<mask_1:5>
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[C@@
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CCCC[C@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
CC[C@
<|startoftext|><L>CC[C@@H]1CN(C(=O)N<mask_1:5>CCCCn2ccccc2=O)CCS1<mask_1:5>
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CC[C@@H]1CN(C(=O)NC(=O)CCCCn2ccccc2=O)CCS1
CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
C(=O)
<|startoftext|><L>CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)C<mask_1:2>S1<mask_1:2>
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C
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CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCCS1
CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
CC
<|startoftext|><L>CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)C<mask_1:4>S1<mask_1:4>
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C
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CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CC=CCS1
CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
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(
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CC[C@@H]1CN(CCNC(=O)NCCCCn2ccccc2=O)CCS1
CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1
CNC(
<|startoftext|><L>CCCN<mask_1:2>c1ccc(O[C@H](C)CC)cc1<mask_1:2>
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C
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CCCNCCc1ccc(O[C@H](C)CC)cc1
CCCNCc1ccc(O[C@H](C)CC)cc1
CC
<|startoftext|><L>CCCN<mask_1:3>c1ccc(O[C@H](C)CC)cc1<mask_1:3>
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C
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CCCN(C)c1ccc(O[C@H](C)CC)cc1
CCCNCc1ccc(O[C@H](C)CC)cc1
(C)
<|startoftext|><L>CCCN<mask_1:2>c1ccc(O[C@H](C)CC)cc1<mask_1:2>
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C
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CCCNCCc1ccc(O[C@H](C)CC)cc1
CCCNCc1ccc(O[C@H](C)CC)cc1
CC
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CCCNCc1ccc(OCCC[C@H](C)CC)cc1
CCCNCc1ccc(O[C@H](C)CC)cc1
CCC
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CCCNCc1ccc(O[C@H](C)C(C)C)cc1
CCCNCc1ccc(O[C@H](C)CC)cc1
(C)
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CCOCCNCc1ccc(O[C@H](C)CC)cc1
CCCNCc1ccc(O[C@H](C)CC)cc1
OC
<|startoftext|><L>CCCNC<mask_1:2>c1ccc(O[C@H](C)CC)cc1<mask_1:2>
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CCCNCCNc1ccc(O[C@H](C)CC)cc1
CCCNCc1ccc(O[C@H](C)CC)cc1
CN
<|startoftext|><L>CCCN<mask_1:2>Cc1ccc(O[C@H](C)CC)cc1<mask_1:2>
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CCCNCCCc1ccc(O[C@H](C)CC)cc1
CCCNCc1ccc(O[C@H](C)CC)cc1
CC
<|startoftext|><L>CCCNCc1ccc(O[C@H](C)C<mask_1:3>C)cc1<mask_1:3>
0
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3
CCCNCc1ccc(O[C@H](C)CCCCC)cc1
CCCNCc1ccc(O[C@H](C)CC)cc1
CCC
<|startoftext|><L>CCCNCc1ccc(O<mask_1:1>[C@H](C)CC)cc1<mask_1:1>
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1
CCCNCc1ccc(OC[C@H](C)CC)cc1
CCCNCc1ccc(O[C@H](C)CC)cc1
C
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H](c4ccccc<mask_1:5>C3)cc(=O)oc2c1<mask_1:5>
2
29
5
4)
5
COc1ccc2c(CN3CC[C@@H](c4ccccc4OC)CC3)cc(=O)oc2c1
COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
4OC)C
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H](c4cccc<mask_1:5>4)C3)cc(=O)oc2c1<mask_1:5>
1
28
5
c
5
COc1ccc2c(CN3CC[C@@H](c4cccc(OC)c4)C3)cc(=O)oc2c1
COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
(OC)c
<|startoftext|><L>COc1ccc2c<mask_1:4>[C@@H](c4ccccc4)C3)cc(=O)oc2c1<mask_1:4>
6
9
4
(CN3CC
4
COc1ccc2c(N3C[C@@H](c4ccccc4)C3)cc(=O)oc2c1
COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
(N3C
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H<mask_1:5>ccccc4)C3)cc(=O)oc2c1<mask_1:5>
4
20
5
](c4
5
COc1ccc2c(CN3CC[C@@H](Oc4ccccc4)C3)cc(=O)oc2c1
COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
](Oc4
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H]<mask_1:6>c4ccccc4)C3)cc(=O)oc2c1<mask_1:6>
1
21
6
(
6
COc1ccc2c(CN3CC[C@@H](N(C)Cc4ccccc4)C3)cc(=O)oc2c1
COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
(N(C)C
<|startoftext|><L>C<mask_1:5>1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1<mask_1:5>
2
1
5
Oc
5
C=CCOc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
=CCOc
<|startoftext|><L>C<mask_1:6>1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1<mask_1:6>
2
1
6
Oc
6
CC(=O)c1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
C(=O)c
<|startoftext|><L>COc1ccc2c(CN<mask_1:3>C[C@@H](c4ccccc4)C3)cc(=O)oc2c1<mask_1:3>
2
12
3
3C
3
COc1ccc2c(CN3CCC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
3CC
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H](c4ccc<mask_1:4>)C3)cc(=O)oc2c1<mask_1:4>
3
27
4
cc4
4
COc1ccc2c(CN3CC[C@@H](c4ccccc4F)C3)cc(=O)oc2c1
COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
cc4F
<|startoftext|><L>COc1ccc2c(CN3CC[C@@H](c<mask_1:1>ccc4)C3)cc(=O)oc2c1<mask_1:1>
3
23
1
4cc
1
COc1ccc2c(CN3CC[C@@H](c4ccc4)C3)cc(=O)oc2c1
COc1ccc2c(CN3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1
4
<|startoftext|><L>O=Cc1cccc(S(=O)(=O)<mask_1:4>(F)(F)F)c1<mask_1:4>
1
19
4
C
4
O=Cc1cccc(S(=O)(=O)CCCC(F)(F)F)c1
O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1
CCCC
<|startoftext|><L>O=Cc1cccc(S(=O)(=O<mask_1:3>(F)(F)F)c1<mask_1:3>
2
18
3
)C
3
O=Cc1cccc(S(=O)(=O)CC(F)(F)F)c1
O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1
)CC
<|startoftext|><L>O=Cc1cccc<mask_1:3>O)(=O)C(F)(F)F)c1<mask_1:3>
4
9
3
(S(=
3
O=Cc1cccc(S(O)(=O)C(F)(F)F)c1
O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1
(S(
<|startoftext|><L>O=Cc1cccc(S(=O)(=O)C(F)<mask_1:1>(F)F)c1<mask_1:1>
0
23
1
1
O=Cc1cccc(S(=O)(=O)C(F)C(F)F)c1
O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1
C
<|startoftext|><L>O=Cc1cccc(S(=O)(<mask_1:1>)C(F)(F)F)c1<mask_1:1>
2
16
1
=O
1
O=Cc1cccc(S(=O)(F)C(F)(F)F)c1
O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1
F
<|startoftext|><L>O=Cc1c<mask_1:3>ccc(S(=O)(=O)C(F)(F)F)c1<mask_1:3>
0
6
3
3
O=Cc1c(F)ccc(S(=O)(=O)C(F)(F)F)c1
O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1
(F)
<|startoftext|><L>O=Cc1cccc(S(=O)(=O)C<mask_1:4>F)(F)F)c1<mask_1:4>
1
20
4
(
4
O=Cc1cccc(S(=O)(=O)COCC(F)(F)F)c1
O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1
OCC(
<|startoftext|><L>O=Cc1cccc(S(=O)(=O)C(F)(F)<mask_1:3>c1<mask_1:3>
2
26
3
F)
3
O=Cc1cccc(S(=O)(=O)C(F)(F)Cl)c1
O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1
Cl)
<|startoftext|><L>O=Cc1cc<mask_1:3>(=O)(=O)C(F)(F)F)c1<mask_1:3>
4
7
3
cc(S
3
O=Cc1ccn(S(=O)(=O)C(F)(F)F)c1
O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1
n(S
<|startoftext|><L>O=Cc1c<mask_1:1>c(S(=O)(=O)C(F)(F)F)c1<mask_1:1>
2
6
1
cc
1
O=Cc1csc(S(=O)(=O)C(F)(F)F)c1
O=Cc1cccc(S(=O)(=O)C(F)(F)F)c1
s
<|startoftext|><L>C[C<mask_1:3>CNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:3>
5
3
3
@H]1C
3
C[CH]1CNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
H]1
<|startoftext|><L>C[C<mask_1:4>1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:4>
3
3
4
@H]
4
C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
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<|startoftext|><L>C[C@H]1CCNC<mask_1:6>C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:6>
5
11
6
(=O)[
6
C[C@H]1CCNC(=O)C[C@@H]1NC(=O)CCc1cccc2ccccc12
C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
(=O)C[
<|startoftext|><L>C[C<mask_1:3>NC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:3>
6
3
3
@H]1CC
3
C[CH]1NC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
H]1
<|startoftext|><L>C[<mask_1:5>C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:5>
0
2
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5
C[C@H][C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
C@H][
<|startoftext|><L>C[C@<mask_1:1>1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:1>
2
4
1
H]
1
C[C@]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
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<|startoftext|><L>C[<mask_1:4>]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:4>
3
2
4
C@H
4
C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
C@@H
<|startoftext|><L>C[C<mask_1:4>NC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:4>
6
3
4
@H]1CC
4
C[C@H]1NC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
@H]1
<|startoftext|><L>C[C@H]1CCNC(=O)[C@@H]1NC(=O)<mask_1:6>c1cccc2ccccc12<mask_1:6>
2
28
6
CC
6
C[C@H]1CCNC(=O)[C@@H]1NC(=O)/C=C/Cc1cccc2ccccc12
C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
/C=C/C
<|startoftext|><L>C[C@H]1C<mask_1:2>O)[C@@H]1NC(=O)CCc1cccc2ccccc12<mask_1:2>
5
8
2
CNC(=
2
C[C@H]1C(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc2ccccc12
(=
<|startoftext|><L><mask_1:1>1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1<mask_1:1>
3
0
1
COc
1
c1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
c
<|startoftext|><L>COc1ccc2c<mask_1:6>C@H]3CN(c4ccncc4F)CCO3)ccc2c1<mask_1:6>
3
9
6
c([
6
COc1ccc2cc(CNC[C@H]3CN(c4ccncc4F)CCO3)ccc2c1
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
c(CNC[
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3<mask_1:3>2c1<mask_1:3>
4
34
3
)ccc
3
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)nn2c1
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
)nn
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4ccncc4F)<mask_1:4>O3)ccc2c1<mask_1:4>
2
30
4
CC
4
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCCCO3)ccc2c1
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
CCCC
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4ccnc<mask_1:4>O3)ccc2c1<mask_1:4>
6
26
4
c4F)CC
4
COc1ccc2cc([C@H]3CN(c4ccncn4)CO3)ccc2c1
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
n4)C
<|startoftext|><L>COc1ccc2cc([C<mask_1:3>]3CN(c4ccncc4F)CCO3)ccc2c1<mask_1:3>
2
13
3
@H
3
COc1ccc2cc([C@@H]3CN(c4ccncc4F)CCO3)ccc2c1
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
@@H
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4ccnc<mask_1:6>)CCO3)ccc2c1<mask_1:6>
3
26
6
c4F
6
COc1ccc2cc([C@H]3CN(c4ccnc(Cl)n4)CCO3)ccc2c1
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
(Cl)n4
<|startoftext|><L>COc1ccc2cc([C@H]3C<mask_1:3>cncc4F)CCO3)ccc2c1<mask_1:3>
5
18
3
N(c4c
3
COc1ccc2cc([C@H]3C(n4cncc4F)CCO3)ccc2c1
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
(n4
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4cc<mask_1:6>c4F)CCO3)ccc2c1<mask_1:6>
2
24
6
nc
6
COc1ccc2cc([C@H]3CN(c4ccc(OC)cc4F)CCO3)ccc2c1
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
c(OC)c
<|startoftext|><L>COc1ccc2cc([C@H]3CN(c4ccncc4F)C<mask_1:5>c2c1<mask_1:5>
6
31
5
CO3)cc
5
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)sc2c1
COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1
CO3)s
<|startoftext|><L>CC(=O)<mask_1:6>1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:6>
2
6
6
Nc
6
CC(=O)N(C)Cc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
N(C)Cc
<|startoftext|><L>CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC<mask_1:1>2)[nH]c2ccccc12<mask_1:1>
0
38
1
1
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CCC2)[nH]c2ccccc12
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
C
<|startoftext|><L>CC(<mask_1:6>)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:6>
2
3
6
=O
6
CC(C)C(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
C)C(=O
<|startoftext|><L>CC(=O)Nc1c(C(=O)N2CCN(<mask_1:7>nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:7>
2
22
7
c3
7
CC(=O)Nc1c(C(=O)N2CCN(C(=O)c3nc4ccccc4s3)CC2)[nH]c2ccccc12
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
C(=O)c3
<|startoftext|><L>C<mask_1:7>Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:7>
5
1
7
C(=O)
7
CCCC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
CCC(=O)
<|startoftext|><L>CC(=O)Nc1c(C(<mask_1:3>)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:3>
2
13
3
=O
3
CC(=O)Nc1c(C(C#N)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
C#N
<|startoftext|><L>CC(=O)Nc1c(C(=O)N2CCN(c3nc4cccc<mask_1:4>c4s3)CC2)[nH]c2ccccc12<mask_1:4>
0
31
4
4
CC(=O)Nc1c(C(=O)N2CCN(c3nc4cccc(Cl)c4s3)CC2)[nH]c2ccccc12
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
(Cl)
<|startoftext|><L>CC(=O)Nc1c(C(=O<mask_1:6>N(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:6>
5
15
6
)N2CC
6
CC(=O)Nc1c(C(=O)CN2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
)CN2CC
<|startoftext|><L>CC(<mask_1:3>O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:3>
1
3
3
=
3
CC(C)(O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
C)(
<|startoftext|><L>CC(=O<mask_1:4>1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12<mask_1:4>
3
5
4
)Nc
4
CC(=O)NCc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
CC(=O)Nc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)[nH]c2ccccc12
)NCc
<|startoftext|><L>COc1cc(C)c<mask_1:7>(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C<mask_1:7>
6
10
7
(S(=O)
7
COc1cc(C)c(S(=O)C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
(S(=O)C
<|startoftext|><L><mask_1:3>cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C<mask_1:3>
4
0
3
COc1
3
Cc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
Cc1
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@<mask_1:6>N3C(=O)C[C@@H]24)c(C)c1C<mask_1:6>
8
27
6
@]34OCCC
6
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34CCN3C(=O)C[C@@H]24)c(C)c1C
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
@]34CC
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)<mask_1:8>@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C<mask_1:8>
6
20
8
N2CC[C
8
COc1cc(C)c(S(=O)(=O)N2CCCC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
N2CCCC[C
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@<mask_1:4>(C)c1C<mask_1:4>
7
46
4
@H]24)c
5
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@H]24)(C)c1C
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
H]24)
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c<mask_1:4>C<mask_1:4>
5
53
4
(C)c1
4
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)cc1OCC
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
c1OC
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=<mask_1:4>@@H]24)c(C)c1C<mask_1:4>
5
40
4
O)C[C
4
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)[C@@H]24)c(C)c1C
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
O)[C
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCC<mask_1:4>C[C@@H]24)c(C)c1C<mask_1:4>
8
34
4
CN3C(=O)
4
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCN3CCC[C@@H]24)c(C)c1C
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
N3CC
<|startoftext|><L>COc1cc(C)c(S(=O)(=O)N2CC[C@@]34<mask_1:7>=O)C[C@@H]24)c(C)c1C<mask_1:7>
8
31
7
OCCCN3C(
7
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c(C)c1C
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
OCCN3C(
<|startoftext|><L>COc1cc(C)c(S(=O)(=<mask_1:4>[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C<mask_1:4>
6
18
4
O)N2CC
4
COc1cc(C)c(S(=O)(=O)N2[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
COc1cc(C)c(S(=O)(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c(C)c1C
O)N2
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2n<mask_1:4>2)CC1<mask_1:4>
3
37
4
ccs
4
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ncccn2)CC1
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
cccn
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CC<mask_1:2>ccs2)CC1<mask_1:2>
5
32
2
N(c2n
2
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CC2(ccs2)CC1
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
2(
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2<mask_1:4>ccs2)CC1<mask_1:4>
1
36
4
n
4
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2c(N)ccs2)CC1
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
c(N)
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c<mask_1:6>cs2)CC1<mask_1:6>
3
35
6
2nc
6
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nc(N)cs2)CC1
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
2nc(N)
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)c<mask_1:6>1CCN(c2nccs2)CC1<mask_1:6>
4
25
6
c1)N
6
C[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)N1CCN(c2nccs2)CC1
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
c1Cl)N
<|startoftext|><L>C<mask_1:2>(C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1<mask_1:2>
6
1
2
[C@@H]
2
CCN(C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
CN
<|startoftext|><L>C[C@@H](C(=O<mask_1:3>ccc(C#N)cc1)N1CCN(c2nccs2)CC1<mask_1:3>
4
12
3
)Nc1
3
C[C@@H](C(=O)c1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
)c1
<|startoftext|><L>C[C@@H](C(=O<mask_1:5>c(C#N)cc1)N1CCN(c2nccs2)CC1<mask_1:5>
6
12
5
)Nc1cc
5
C[C@@H](C(=O)c1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
)c1cc
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc<mask_1:5>C#N)cc1)N1CCN(c2nccs2)CC1<mask_1:5>
1
19
5
(
5
C[C@@H](C(=O)Nc1ccc(C(N)C#N)cc1)N1CCN(c2nccs2)CC1
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
(C(N)
<|startoftext|><L>C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1C<mask_1:5>2nccs2)CC1<mask_1:5>
4
31
5
CN(c
5
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(Oc2nccs2)CC1
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1
CC(Oc