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stringlengths 49
285
| first_mask_count
int64 0
16
| first_start_index
int64 0
224
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 12
256
| original_smiles
stringlengths 12
246
| generated_tokens
stringlengths 0
18
|
|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>COc1cc(<mask_1:5>2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2<mask_1:5>
| 2
| 7
| 5
|
-c
| 5
|
COc1cc(CCNCc2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
CCNCc
|
<|startoftext|><L>COc1cc(-c2cnc3ccccc3c2)cc2c1OC<mask_1:8>)c1cccc(N3CCNC3=O)c1)C2<mask_1:8>
| 7
| 30
| 8
|
CN(C(=O
| 8
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(CC(=O)c1cccc(N3CCNC3=O)c1)C2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
CN(CC(=O
|
<|startoftext|><L>COc1cc<mask_1:4>c3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2<mask_1:4>
| 6
| 6
| 4
|
(-c2cn
| 4
|
COc1cc(-c2c3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
(-c2
|
<|startoftext|><L>COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N<mask_1:5>O)c1)C2<mask_1:5>
| 7
| 46
| 5
|
3CCNC3=
| 5
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(NC(C)=O)c1)C2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
C(C)=
|
<|startoftext|><L>C<mask_1:1>Oc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2<mask_1:1>
| 0
| 1
| 1
| 1
|
CCOc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
C
|
|
<|startoftext|><L>COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N<mask_1:7>NC3=O)c1)C2<mask_1:7>
| 3
| 46
| 7
|
3CC
| 7
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3C(=O)CNC3=O)c1)C2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
3C(=O)C
|
<|startoftext|><L>COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(<mask_1:8>cc(N3CCNC3=O)c1)C2<mask_1:8>
| 7
| 35
| 8
|
=O)c1cc
| 8
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)Cc1cccc(N3CCNC3=O)c1)C2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
=O)Cc1cc
|
<|startoftext|><L>COc1cc(-c2cnc3<mask_1:6>cc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2<mask_1:6>
| 3
| 14
| 6
|
ccc
| 6
|
COc1cc(-c2cnc3ccc(C)cc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
ccc(C)
|
<|startoftext|><L>COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3<mask_1:2>3=O)c1)C2<mask_1:2>
| 4
| 47
| 2
|
CCNC
| 2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CC3=O)c1)C2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
CC
|
<|startoftext|><L>COc1cc(-c2cnc3ccccc3c2)cc2c<mask_1:9>(C(=O)c1cccc(N3CCNC3=O)c1)C2<mask_1:9>
| 5
| 27
| 9
|
1OCCN
| 9
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C)C(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
|
1OCCN(C)C
|
<|startoftext|><L>C<mask_1:2>(CNCc2cncs2)cnn1C<mask_1:2>
| 3
| 1
| 2
|
c1c
| 2
|
Cc1(CNCc2cncs2)cnn1C
|
Cc1c(CNCc2cncs2)cnn1C
|
c1
|
<|startoftext|><L>Cc1c(CNCc2c<mask_1:1>2)cnn1C<mask_1:1>
| 3
| 11
| 1
|
ncs
| 1
|
Cc1c(CNCc2cs2)cnn1C
|
Cc1c(CNCc2cncs2)cnn1C
|
s
|
<|startoftext|><L>C<mask_1:2>c1c(CNCc2cncs2)cnn1C<mask_1:2>
| 0
| 1
| 2
| 2
|
CCCc1c(CNCc2cncs2)cnn1C
|
Cc1c(CNCc2cncs2)cnn1C
|
CC
|
|
<|startoftext|><L>Cc1c(CNCc2cncs2)cn<mask_1:3>C<mask_1:3>
| 2
| 18
| 3
|
n1
| 3
|
Cc1c(CNCc2cncs2)cnn1CC
|
Cc1c(CNCc2cncs2)cnn1C
|
n1C
|
<|startoftext|><L>Cc1c(<mask_1:1>c2cncs2)cnn1C<mask_1:1>
| 3
| 5
| 1
|
CNC
| 1
|
Cc1c(-c2cncs2)cnn1C
|
Cc1c(CNCc2cncs2)cnn1C
|
-
|
<|startoftext|><L>Cc1c(CNCc2c<mask_1:3>s2)cnn1C<mask_1:3>
| 2
| 11
| 3
|
nc
| 3
|
Cc1c(CNCc2c(C)s2)cnn1C
|
Cc1c(CNCc2cncs2)cnn1C
|
(C)
|
<|startoftext|><L>C<mask_1:2>1c(CNCc2cncs2)cnn1C<mask_1:2>
| 1
| 1
| 2
|
c
| 2
|
COc1c(CNCc2cncs2)cnn1C
|
Cc1c(CNCc2cncs2)cnn1C
|
Oc
|
<|startoftext|><L><mask_1:3>1c(CNCc2cncs2)cnn1C<mask_1:3>
| 2
| 0
| 3
|
Cc
| 3
|
CCc1c(CNCc2cncs2)cnn1C
|
Cc1c(CNCc2cncs2)cnn1C
|
CCc
|
<|startoftext|><L>Cc1c(<mask_1:3>NCc2cncs2)cnn1C<mask_1:3>
| 1
| 5
| 3
|
C
| 3
|
Cc1c(OCCNCc2cncs2)cnn1C
|
Cc1c(CNCc2cncs2)cnn1C
|
OCC
|
<|startoftext|><L>Cc1c(CNC<mask_1:3>2cncs2)cnn1C<mask_1:3>
| 1
| 8
| 3
|
c
| 3
|
Cc1c(CNCCCc2cncs2)cnn1C
|
Cc1c(CNCc2cncs2)cnn1C
|
CCc
|
<|startoftext|><L>Cc1cc<mask_1:2>cc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1<mask_1:2>
| 0
| 5
| 2
| 2
|
Cc1cccccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
cc
|
|
<|startoftext|><L><mask_1:8>Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1<mask_1:8>
| 0
| 0
| 8
| 8
|
CCN(CC)CCc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
CCN(CC)C
|
|
<|startoftext|><L>Cc1cccc<mask_1:5>noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1<mask_1:5>
| 4
| 7
| 5
|
(-c2
| 5
|
Cc1cccc(OCc2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
(OCc2
|
<|startoftext|><L>Cc1cccc(-c2noc(CNC<mask_1:6>O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1<mask_1:6>
| 2
| 18
| 6
|
(=
| 6
|
Cc1cccc(-c2noc(CNCCCNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
CCNC(=
|
<|startoftext|><L>Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccc<mask_1:3>C3)n2)c1<mask_1:3>
| 4
| 42
| 3
|
s4)C
| 3
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)C3)n2)c1
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
s4)
|
<|startoftext|><L>Cc1cccc(-c2noc(CNC(=O)C3<mask_1:5>CN(S(=O)(=O)c4cccs4)CC3)n2)c1<mask_1:5>
| 1
| 24
| 5
|
C
| 5
|
Cc1cccc(-c2noc(CNC(=O)C3(C)CCCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
(C)CC
|
<|startoftext|><L>Cc1cccc(-c2n<mask_1:7>C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1<mask_1:7>
| 5
| 12
| 7
|
oc(CN
| 7
|
Cc1cccc(-c2n[nH]c(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
[nH]c(N
|
<|startoftext|><L>Cc1cccc(-c2noc(C<mask_1:2>O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1<mask_1:2>
| 4
| 16
| 2
|
NC(=
| 2
|
Cc1cccc(-c2noc(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
(=
|
<|startoftext|><L>Cc1cccc(-<mask_1:7>c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1<mask_1:7>
| 0
| 9
| 7
| 7
|
Cc1cccc(-n2cccc2c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
n2cccc2
|
|
<|startoftext|><L>Cc1cccc(-c2noc(CNC(=O)C3CCN(<mask_1:3>S(=O)(=O)c4cccs4)CC3)n2)c1<mask_1:3>
| 0
| 28
| 3
| 3
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(CCCS(=O)(=O)c4cccs4)CC3)n2)c1
|
Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1
|
CCC
|
|
<|startoftext|><L>Nc1ccc([N+](=O)[O-])cc1C(=O)<mask_1:5>1CCCO1<mask_1:5>
| 1
| 28
| 5
|
N
| 5
|
Nc1ccc([N+](=O)[O-])cc1C(=O)[C@H]1CCCO1
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
[C@H]
|
<|startoftext|><L>N<mask_1:5>1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1<mask_1:5>
| 1
| 1
| 5
|
c
| 5
|
N#CCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
#CCOc
|
<|startoftext|><L>Nc1ccc([N+](=O)[O-])<mask_1:5>C(=O)N1CCCO1<mask_1:5>
| 3
| 20
| 5
|
cc1
| 5
|
Nc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCCO1
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
cc1OC
|
<|startoftext|><L>N<mask_1:4>([N+](=O)[O-])cc1C(=O)N1CCCO1<mask_1:4>
| 5
| 1
| 4
|
c1ccc
| 4
|
Nc1sc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
c1sc
|
<|startoftext|><L>Nc1c<mask_1:3>+](=O)[O-])cc1C(=O)N1CCCO1<mask_1:3>
| 5
| 4
| 3
|
cc([N
| 3
|
Nc1c([N+](=O)[O-])cc1C(=O)N1CCCO1
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
([N
|
<|startoftext|><L>Nc1ccc([N+](=O)[O-])cc1C(=O)N1<mask_1:2>1<mask_1:2>
| 4
| 30
| 2
|
CCCO
| 2
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC1
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
CC
|
<|startoftext|><L>Nc1ccc<mask_1:3>[N+](=O)[O-])cc1C(=O)N1CCCO1<mask_1:3>
| 1
| 6
| 3
|
(
| 3
|
Nc1ccc(SC[N+](=O)[O-])cc1C(=O)N1CCCO1
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
(SC
|
<|startoftext|><L>Nc1ccc([N+](=O)[O-])cc1C(=O<mask_1:5>N1CCCO1<mask_1:5>
| 1
| 27
| 5
|
)
| 5
|
Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCCO1
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
)NCCC
|
<|startoftext|><L><mask_1:3>cc([N+](=O)[O-])cc1C(=O)N1CCCO1<mask_1:3>
| 4
| 0
| 3
|
Nc1c
| 3
|
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
Cn1
|
<|startoftext|><L>Nc1ccc([N+](=O)[O<mask_1:2>cc1C(=O)N1CCCO1<mask_1:2>
| 3
| 17
| 2
|
-])
| 3
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO1
|
-])
|
<|startoftext|><L>Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]<mask_1:3>CCN2C(=O)CC2CCCC2)n1<mask_1:3>
| 2
| 34
| 3
|
2C
| 3
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCCN2C(=O)CC2CCCC2)n1
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
2CC
|
<|startoftext|><L>Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2<mask_1:5>C2)n1<mask_1:5>
| 3
| 48
| 5
|
CCC
| 5
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2=CCCCC2)n1
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
=CCCC
|
<|startoftext|><L>Nc1ncc(-c2ccc(C(F)(F)<mask_1:6>)c([C@H]2CCCN2C(=O)CC2CCCC2)n1<mask_1:6>
| 5
| 21
| 6
|
F)cc2
| 6
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2F)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
F)cc2F
|
<|startoftext|><L>Nc1ncc(-c2ccc(C(F)<mask_1:2>cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1<mask_1:2>
| 5
| 18
| 2
|
(F)F)
| 2
|
Nc1ncc(-c2ccc(C(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
F)
|
<|startoftext|><L>Nc1ncc(-c2ccc(C(F)(F)F)<mask_1:5>c2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1<mask_1:5>
| 1
| 23
| 5
|
c
| 5
|
Nc1ncc(-c2ccc(C(F)(F)F)c(Cl)c2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
c(Cl)
|
<|startoftext|><L>Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(<mask_1:2>]2CCCN2C(=O)CC2CCCC2)n1<mask_1:2>
| 4
| 29
| 2
|
[C@H
| 2
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([n]2CCCN2C(=O)CC2CCCC2)n1
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
[n
|
<|startoftext|><L>Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CC<mask_1:2>n1<mask_1:2>
| 4
| 50
| 2
|
CC2)
| 2
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CC2)n1
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
2)
|
<|startoftext|><L><mask_1:5>Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1<mask_1:5>
| 0
| 0
| 5
| 5
|
CC(C)Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
CC(C)
|
|
<|startoftext|><L>Nc1ncc(-c2ccc(C(F)(F)F)cc2<mask_1:2>)c([C@H]2CCCN2C(=O)CC2CCCC2)n1<mask_1:2>
| 0
| 26
| 2
| 2
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2Cl)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
Cl
|
|
<|startoftext|><L>Nc1ncc(-c2ccc(C<mask_1:4>F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1<mask_1:4>
| 1
| 15
| 4
|
(
| 4
|
Nc1ncc(-c2ccc(COCC(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1
|
OCC(
|
<|startoftext|><L>NC[C@@]<mask_1:3>@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2<mask_1:3>
| 6
| 7
| 3
|
1(N)[C
| 3
|
NC[C@@]1[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
1[C
|
<|startoftext|><L>NC[C@@]1(N)[C@H](S(=O)(=O)c<mask_1:2>ccc2)[C@@H]1c1ccc2c(c1)OCO2<mask_1:2>
| 3
| 27
| 2
|
2cc
| 2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2sccc2)[C@@H]1c1ccc2c(c1)OCO2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
2s
|
<|startoftext|><L>NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)<mask_1:5>1c1ccc2c(c1)OCO2<mask_1:5>
| 6
| 35
| 5
|
[C@@H]
| 5
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
[C@H]
|
<|startoftext|><L>NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]<mask_1:4>c1ccc2c(c1)OCO2<mask_1:4>
| 1
| 41
| 4
|
1
| 4
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1COCc1ccc2c(c1)OCO2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
1COC
|
<|startoftext|><L>NC[C@@]1(N)[C@H](S(=O)(=O<mask_1:8>ccc2)[C@@H]1c1ccc2c(c1)OCO2<mask_1:8>
| 5
| 25
| 8
|
)c2cc
| 8
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2cc(F)ccc2)[C@@H]1c1ccc2c(c1)OCO2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
)c2cc(F)
|
<|startoftext|><L>NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2<mask_1:3>H]1c1ccc2c(c1)OCO2<mask_1:3>
| 5
| 34
| 3
|
)[C@@
| 3
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[CH]1c1ccc2c(c1)OCO2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
)[C
|
<|startoftext|><L>NC[C@@]1(N)[<mask_1:5>](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2<mask_1:5>
| 3
| 12
| 5
|
C@H
| 4
|
NC[C@@]1(N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
C@@H
|
<|startoftext|><L>NC[C@<mask_1:6>(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2<mask_1:6>
| 3
| 5
| 6
|
@]1
| 6
|
NC[C@@H]1OC(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
@H]1OC
|
<|startoftext|><L>NC[C@@<mask_1:6>)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2<mask_1:6>
| 4
| 6
| 6
|
]1(N
| 6
|
NC[C@@]1(C#N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
]1(C#N
|
<|startoftext|><L>NC[C<mask_1:7>1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2<mask_1:7>
| 3
| 4
| 7
|
@@]
| 7
|
NC[C@H](O)C1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2
|
@H](O)C
|
<|startoftext|><L>COC(=O<mask_1:2>1ccc(OCc2nc3ccccc3c3ccccc23)cc1<mask_1:2>
| 3
| 6
| 2
|
)Cc
| 2
|
COC(=O)c1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
)c
|
<|startoftext|><L>COC(<mask_1:3>c1ccc(OCc2nc3ccccc3c3ccccc23)cc1<mask_1:3>
| 4
| 4
| 3
|
=O)C
| 3
|
COC(=O)c1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
=O)
|
<|startoftext|><L>COC(=O)Cc1c<mask_1:6>Cc2nc3ccccc3c3ccccc23)cc1<mask_1:6>
| 4
| 11
| 6
|
cc(O
| 6
|
COC(=O)Cc1ccc(CNCCc2nc3ccccc3c3ccccc23)cc1
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
cc(CNC
|
<|startoftext|><L>CO<mask_1:6>)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1<mask_1:6>
| 4
| 2
| 6
|
C(=O
| 6
|
COCCN(CC)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
CCN(CC
|
<|startoftext|><L>COC<mask_1:2>Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1<mask_1:2>
| 4
| 3
| 2
|
(=O)
| 2
|
COCCNCc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
CN
|
<|startoftext|><L>COC(=O)Cc1ccc(OC<mask_1:4>cccc3c3ccccc23)cc1<mask_1:4>
| 6
| 16
| 4
|
c2nc3c
| 4
|
COC(=O)Cc1ccc(OCc2c3cccc3c3ccccc23)cc1
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
c2c3
|
<|startoftext|><L>COC<mask_1:1>Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1<mask_1:1>
| 4
| 3
| 1
|
(=O)
| 1
|
COCCCc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
C
|
<|startoftext|><L>COC(=O)C<mask_1:3>(OCc2nc3ccccc3c3ccccc23)cc1<mask_1:3>
| 5
| 8
| 3
|
c1ccc
| 3
|
COC(=O)C1cc(OCc2nc3ccccc3c3ccccc23)cc1
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
1cc
|
<|startoftext|><L><mask_1:4>OC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1<mask_1:4>
| 1
| 0
| 4
|
C
| 4
|
CCCCOC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
CCCC
|
<|startoftext|><L>COC(=O)Cc1ccc(OCc2nc3ccccc3c<mask_1:6>cc23)cc1<mask_1:6>
| 4
| 28
| 6
|
3ccc
| 6
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3[nH]ncc23)cc1
|
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1
|
3[nH]n
|
<|startoftext|><L>Cn1cncc1-c1cnc<mask_1:6>@H]2CCCN(c3ncccn3)C2)n1<mask_1:6>
| 5
| 14
| 6
|
c(C[C
| 6
|
Cn1cncc1-c1cncc(CC[C@H]2CCCN(c3ncccn3)C2)n1
|
Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
c(CC[C
|
<|startoftext|><L>Cn1cncc1-c1cnc<mask_1:4>@H]2CCCN(c3ncccn3)C2)n1<mask_1:4>
| 5
| 14
| 4
|
c(C[C
| 4
|
Cn1cncc1-c1cncc([C@H]2CCCN(c3ncccn3)C2)n1
|
Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
c([C
|
<|startoftext|><L>Cn1cncc1-c1cncc(C[C@H<mask_1:4>N(c3ncccn3)C2)n1<mask_1:4>
| 5
| 21
| 4
|
]2CCC
| 4
|
Cn1cncc1-c1cncc(C[C@H]2CCN(c3ncccn3)C2)n1
|
Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
]2CC
|
<|startoftext|><L>Cn1cncc1-c1cncc(C<mask_1:5>]2CCCN(c3ncccn3)C2)n1<mask_1:5>
| 4
| 17
| 5
|
[C@H
| 5
|
Cn1cncc1-c1cncc(C[C@@H]2CCCN(c3ncccn3)C2)n1
|
Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
[C@@H
|
<|startoftext|><L>Cn1cncc1-c1cncc(C[C<mask_1:3>]2CCCN(c3ncccn3)C2)n1<mask_1:3>
| 2
| 19
| 3
|
@H
| 3
|
Cn1cncc1-c1cncc(C[C@@H]2CCCN(c3ncccn3)C2)n1
|
Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
@@H
|
<|startoftext|><L>Cn1cncc1-c1cncc(C[C@H]2<mask_1:5>3ncccn3)C2)n1<mask_1:5>
| 6
| 23
| 5
|
CCCN(c
| 5
|
Cn1cncc1-c1cncc(C[C@H]2CCN(c3ncccn3)C2)n1
|
Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
CCN(c
|
<|startoftext|><L>Cn1cncc1-<mask_1:2>ncc(C[C@H]2CCCN(c3ncccn3)C2)n1<mask_1:2>
| 3
| 9
| 2
|
c1c
| 2
|
Cn1cncc1-n1ncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
n1
|
<|startoftext|><L>Cn1cncc1-c1cn<mask_1:4>(C[C@H]2CCCN(c3ncccn3)C2)n1<mask_1:4>
| 2
| 13
| 4
|
cc
| 4
|
Cn1cncc1-c1cn(C)c(C[C@H]2CCCN(c3ncccn3)C2)n1
|
Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
(C)c
|
<|startoftext|><L>Cn1<mask_1:6>1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1<mask_1:6>
| 4
| 3
| 6
|
cncc
| 6
|
Cn1[nH]cc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
[nH]cc
|
<|startoftext|><L>Cn1cncc1-c1cncc(C[C@H]2CC<mask_1:6>c3ncccn3)C2)n1<mask_1:6>
| 3
| 25
| 6
|
CN(
| 6
|
Cn1cncc1-c1cncc(C[C@H]2CCN(CCCNc3ncccn3)C2)n1
|
Cn1cncc1-c1cncc(C[C@H]2CCCN(c3ncccn3)C2)n1
|
N(CCCN
|
<|startoftext|><L>COCCNC(=O)<mask_1:5>H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C<mask_1:5>
| 3
| 10
| 5
|
[C@
| 5
|
COCCNC(=O)C[C@@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
C[C@@
|
<|startoftext|><L>CO<mask_1:6>(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C<mask_1:6>
| 4
| 2
| 6
|
CCNC
| 6
|
COC(=O)C(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
C(=O)C
|
<|startoftext|><L>COCCN<mask_1:5>C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C<mask_1:5>
| 6
| 5
| 5
|
C(=O)[
| 5
|
COCCN(C)C[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
(C)C[
|
<|startoftext|><L>C<mask_1:5>NC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C<mask_1:5>
| 3
| 1
| 5
|
OCC
| 5
|
CC(C)CNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
C(C)C
|
<|startoftext|><L>COCCNC(=O<mask_1:3>[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C<mask_1:3>
| 1
| 9
| 3
|
)
| 3
|
COCCNC(=O)CS[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
)CS
|
<|startoftext|><L>COCCNC(=O)[C@H](C<mask_1:2>c1ccc2c(c1)n(C)c(=O)n2C<mask_1:2>
| 4
| 17
| 2
|
#N)C
| 2
|
COCCNC(=O)[C@H](C)Sc1ccc2c(c1)n(C)c(=O)n2C
|
COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
)S
|
<|startoftext|><L>COCCNC(=O)[C@H](<mask_1:5>N)Cc1ccc2c(c1)n(C)c(=O)n2C<mask_1:5>
| 2
| 16
| 5
|
C#
| 5
|
COCCNC(=O)[C@H](C)N(CN)Cc1ccc2c(c1)n(C)c(=O)n2C
|
COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
C)N(C
|
<|startoftext|><L>COCCNC(=O)<mask_1:4>C#N)Cc1ccc2c(c1)n(C)c(=O)n2C<mask_1:4>
| 6
| 10
| 4
|
[C@H](
| 4
|
COCCNC(=O)CN(CC#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
CN(C
|
<|startoftext|><L>C<mask_1:1>=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C<mask_1:1>
| 6
| 1
| 1
|
OCCNC(
| 1
|
C(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
(
|
<|startoftext|><L><mask_1:5>COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C<mask_1:5>
| 0
| 0
| 5
| 5
|
CC(C)COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
COCCNC(=O)[C@H](C#N)Cc1ccc2c(c1)n(C)c(=O)n2C
|
CC(C)
|
|
<|startoftext|><L>Cc1cc(NC<mask_1:3>Cn2nnn(-c3ccccc3Cl)c2=O)no1<mask_1:3>
| 4
| 8
| 3
|
(=O)
| 3
|
Cc1cc(NCCCCCn2nnn(-c3ccccc3Cl)c2=O)no1
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
CCC
|
<|startoftext|><L>Cc1cc(NC(=O)Cn2nnn(-c3ccccc<mask_1:3>c2=O)no1<mask_1:3>
| 4
| 27
| 3
|
3Cl)
| 3
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3C)c2=O)no1
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
3C)
|
<|startoftext|><L>Cc1cc(NC(=O)Cn2nnn(-c3ccc<mask_1:5>3Cl)c2=O)no1<mask_1:5>
| 2
| 25
| 5
|
cc
| 5
|
Cc1cc(NC(=O)Cn2nnn(-c3ccc(F)cc3Cl)c2=O)no1
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
(F)cc
|
<|startoftext|><L>Cc1cc(NC(=O)Cn2nnn(-c3cc<mask_1:4>ccc3Cl)c2=O)no1<mask_1:4>
| 0
| 24
| 4
| 4
|
Cc1cc(NC(=O)Cn2nnn(-c3cc(Cl)ccc3Cl)c2=O)no1
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
(Cl)
|
|
<|startoftext|><L><mask_1:5>c1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1<mask_1:5>
| 1
| 0
| 5
|
C
| 5
|
CC(C)c1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
CC(C)
|
<|startoftext|><L>Cc1cc(NC(=O)Cn2nnn(-c3ccccc3<mask_1:2>c2=O)no1<mask_1:2>
| 3
| 28
| 2
|
Cl)
| 2
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3C)c2=O)no1
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
C)
|
<|startoftext|><L>Cc1cc(NC(=O)<mask_1:5>nn(-c3ccccc3Cl)c2=O)no1<mask_1:5>
| 4
| 12
| 5
|
Cn2n
| 5
|
Cc1cc(NC(=O)CCn2nnn(-c3ccccc3Cl)c2=O)no1
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
CCn2n
|
<|startoftext|><L><mask_1:5>1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1<mask_1:5>
| 2
| 0
| 5
|
Cc
| 5
|
CCCSc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
CCCSc
|
<|startoftext|><L>Cc1cc(NC(=O)Cn2nnn(-c3ccccc<mask_1:4>2=O)no1<mask_1:4>
| 5
| 27
| 4
|
3Cl)c
| 4
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3F)c2=O)no1
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
3F)c
|
<|startoftext|><L>Cc1c<mask_1:5>C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1<mask_1:5>
| 3
| 4
| 5
|
c(N
| 5
|
Cc1cc(CCNC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
Cc1cc(NC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)no1
|
c(CCN
|
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