Structure375
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
55 59 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (101)
101
> <Formula> (101)
C24H25ClN2O2S
> <MolWeight> (101)
440.9855
> <Name> (101)
5ht1a
> <ID> (101)
21
> <all_id> (101)
dual_101
> <SOURCE> (101)
12749894
> <Target> (101)
serotonin reuptake inhibition
> <IC50> (101)
0
> <Ki> (101)
9.12
> <Year> (101)
2003
$$$$
Structure376
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
55 59 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (102)
102
> <Formula> (102)
C24H25ClN2O2S
> <MolWeight> (102)
440.9855
> <Name> (102)
5ht1a
> <ID> (102)
22
> <all_id> (102)
dual_102
> <SOURCE> (102)
12749894
> <Target> (102)
serotonin reuptake inhibition
> <IC50> (102)
0
> <Ki> (102)
7.21
> <Year> (102)
2003
$$$$
Structure377
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
55 59 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (103)
103
> <Formula> (103)
C24H25ClN2O2S
> <MolWeight> (103)
440.9855
> <Name> (103)
5ht1a
> <ID> (103)
23
> <all_id> (103)
dual_103
> <SOURCE> (103)
12749894
> <Target> (103)
serotonin reuptake inhibition
> <IC50> (103)
0
> <Ki> (103)
7.64
> <Year> (103)
2003
$$$$
Structure378
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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12749894
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serotonin reuptake inhibition
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2003
$$$$
Structure379
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
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C25H28N2O3S
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5ht1a
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12749894
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serotonin reuptake inhibition
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0
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4.83
> <Year> (105)
2003
$$$$
Structure380
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (106)
106
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C25H28N2O2S
> <MolWeight> (106)
420.56702
> <Name> (106)
5ht1a
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26
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dual_106
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12749894
> <Target> (106)
serotonin reuptake inhibition
> <IC50> (106)
0
> <Ki> (106)
10.4
> <Year> (106)
2003
$$$$
Structure381
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (107)
107
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C25H28N2O2S
> <MolWeight> (107)
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5ht1a
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12749894
> <Target> (107)
serotonin reuptake inhibition
> <IC50> (107)
0
> <Ki> (107)
22.6
> <Year> (107)
2003
$$$$
Structure382
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (108)
108
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C26H30N2O2S
> <MolWeight> (108)
434.5936
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5ht1a
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28
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dual_108
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12749894
> <Target> (108)
serotonin reuptake inhibition
> <IC50> (108)
0
> <Ki> (108)
27.83
> <Year> (108)
2003
$$$$
Structure383
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (109)
109
> <Formula> (109)
C24H25FN2O2S
> <MolWeight> (109)
424.5309032
> <Name> (109)
5ht1a
> <ID> (109)
29
> <all_id> (109)
dual_109
> <SOURCE> (109)
12749894
> <Target> (109)
serotonin reuptake inhibition
> <IC50> (109)
0
> <Ki> (109)
14.15
> <Year> (109)
2003
$$$$
Structure242
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
60 63 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (10)
10
> <Formula> (10)
C26H29ClN2O2
> <MolWeight> (10)
436.97366
> <Name> (10)
5ht1a
> <ID> (10)
2d
> <all_id> (10)
dual_10
> <SOURCE> (10)
11462981
> <Target> (10)
serotonin reuptake inhibition
> <IC50> (10)
0
> <Ki> (10)
1450
> <Year> (10)
2001
$$$$
Structure384
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
55 59 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (110)
110
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C24H25FN2O2S
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12749894
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serotonin reuptake inhibition
> <IC50> (110)
0
> <Ki> (110)
7.5
> <Year> (110)
2003
$$$$
Structure386
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
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112
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C25H28N2O3S
> <MolWeight> (112)
436.56642
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5ht1a
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6
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dual_112
> <SOURCE> (112)
12749894
> <Target> (112)
serotonin reuptake inhibition
> <IC50> (112)
0
> <Ki> (112)
1.44
> <Year> (112)
2003
$$$$
Structure387
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
62 66 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (113)
113
> <Formula> (113)
C26H30N2O3S
> <MolWeight> (113)
450.593
> <Name> (113)
5ht1a
> <ID> (113)
5a
> <all_id> (113)
dual_113
> <SOURCE> (113)
12824042
> <Target> (113)
serotonin reuptake inhibition
> <IC50> (113)
0
> <Ki> (113)
2.76
> <Year> (113)
2003
$$$$
Structure388
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (114)
114
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C25H27FN2O2S
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dual_114
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12824042
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serotonin reuptake inhibition
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0
> <Ki> (114)
8.77
> <Year> (114)
2003
$$$$
Structure389
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (115)
115
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C26H30N2O3S
> <MolWeight> (115)
450.593
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5ht1a
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7c
> <all_id> (115)
dual_115
> <SOURCE> (115)
12824042
> <Target> (115)
serotonin reuptake inhibition
> <IC50> (115)
0
> <Ki> (115)
14.49
> <Year> (115)
2003
$$$$
Structure390
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
66 70 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (116)
116
> <Formula> (116)
C27H32N2O4S
> <MolWeight> (116)
480.61898
> <Name> (116)
5ht1a
> <ID> (116)
7d
> <all_id> (116)
dual_116
> <SOURCE> (116)
12824042
> <Target> (116)
serotonin reuptake inhibition
> <IC50> (116)
0
> <Ki> (116)
1.3
> <Year> (116)
2003
$$$$
Structure391
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (117)
117
> <Formula> (117)
C26H30N2O2S
> <MolWeight> (117)
434.5936
> <Name> (117)
5ht1a
> <ID> (117)
7e
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dual_117
> <SOURCE> (117)
12824042
> <Target> (117)
serotonin reuptake inhibition
> <IC50> (117)
0
> <Ki> (117)
6.85
> <Year> (117)
2003
$$$$
Structure392
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
64 68 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (118)
118
> <Formula> (118)
C27H32N2O2S
> <MolWeight> (118)
448.62018
> <Name> (118)
5ht1a
> <ID> (118)
7g
> <all_id> (118)
dual_118
> <SOURCE> (118)
12824042
> <Target> (118)
serotonin reuptake inhibition
> <IC50> (118)
0
> <Ki> (118)
94.9
> <Year> (118)
2003
$$$$
Structure393
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (119)
119
> <Formula> (119)
C25H28N2O2S
> <MolWeight> (119)
420.56702
> <Name> (119)
5ht1a
> <ID> (119)
7h
> <all_id> (119)
dual_119
> <SOURCE> (119)
12824042
> <Target> (119)
serotonin reuptake inhibition
> <IC50> (119)
0
> <Ki> (119)
3.09
> <Year> (119)
2003
$$$$
Structure243
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
59 63 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (11)
11
> <Formula> (11)
C26H27ClN2O3
> <MolWeight> (11)
450.95718
> <Name> (11)
5ht1a
> <ID> (11)
2e
> <all_id> (11)
dual_11
> <SOURCE> (11)
11462981
> <Target> (11)
serotonin reuptake inhibition
> <IC50> (11)
0
> <Ki> (11)
550
> <Year> (11)
2001
$$$$
Structure394
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (120)
120
> <Formula> (120)
C25H27FN2O2S
> <MolWeight> (120)
438.5574832
> <Name> (120)
5ht1a
> <ID> (120)
7i
> <all_id> (120)
dual_120
> <SOURCE> (120)
12824042
> <Target> (120)
serotonin reuptake inhibition
> <IC50> (120)
0
> <Ki> (120)
13.87
> <Year> (120)
2003
$$$$
Structure395
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (121)
121
> <Formula> (121)
C25H27FN2O2S
> <MolWeight> (121)
438.5574832
> <Name> (121)
5ht1a
> <ID> (121)
7j
> <all_id> (121)
dual_121
> <SOURCE> (121)
12824042
> <Target> (121)
serotonin reuptake inhibition
> <IC50> (121)
0
> <Ki> (121)
5.52
> <Year> (121)
2003
$$$$
Structure396
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (122)
122
> <Formula> (122)
C25H27FN2O2S
> <MolWeight> (122)
438.5574832
> <Name> (122)
5ht1a
> <ID> (122)
7k
> <all_id> (122)
dual_122
> <SOURCE> (122)
12824042
> <Target> (122)
serotonin reuptake inhibition
> <IC50> (122)
0
> <Ki> (122)
21.95
> <Year> (122)
2003
$$$$
Structure397
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (123)
123
> <Formula> (123)
C25H27ClN2O2S
> <MolWeight> (123)
455.01208
> <Name> (123)
5ht1a
> <ID> (123)
7m
> <all_id> (123)
dual_123
> <SOURCE> (123)
12824042
> <Target> (123)
serotonin reuptake inhibition
> <IC50> (123)
0
> <Ki> (123)
8.34
> <Year> (123)
2003
$$$$
Structure398
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (124)
124
> <Formula> (124)
C25H27ClN2O2S
> <MolWeight> (124)
455.01208
> <Name> (124)
5ht1a
> <ID> (124)
7n
> <all_id> (124)
dual_124
> <SOURCE> (124)
12824042
> <Target> (124)
serotonin reuptake inhibition
> <IC50> (124)
0
> <Ki> (124)
24.85
> <Year> (124)
2003
$$$$
Structure399
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
-0.0167 1.3770 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (125)
125
> <Formula> (125)
C26H27F3N2O2S
> <MolWeight> (125)
488.5649896
> <Name> (125)
5ht1a
> <ID> (125)
7o
> <all_id> (125)
dual_125
> <SOURCE> (125)
12824042
> <Target> (125)
serotonin reuptake inhibition
> <IC50> (125)
0
> <Ki> (125)
24.23
> <Year> (125)
2003
$$$$
Structure400
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
59 64 0 0 0 0 0 0 0 0999 V2000
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0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4052 -0.0050 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4122 1.3871 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1921 2.0844 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5378 3.5079 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4176 2.3278 -0.0168 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8776 3.5861 -0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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126
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C26H28N2O2S
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5ht1a
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dual_126
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12824042
> <Target> (126)
serotonin reuptake inhibition
> <IC50> (126)
0
> <Ki> (126)
30.55
> <Year> (126)
2003
$$$$
Structure401
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (127)
127
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C27H30N2O3S
> <MolWeight> (127)
462.6037
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5ht1a
> <ID> (127)
10
> <all_id> (127)
dual_127
> <SOURCE> (127)
12824042
> <Target> (127)
serotonin reuptake inhibition
> <IC50> (127)
0
> <Ki> (127)
15.7
> <Year> (127)
2003
$$$$
Structure327
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
65 69 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (128)
128
> <Formula> (128)
C27H32N2O3S
> <MolWeight> (128)
464.61958
> <Name> (128)
5ht1a
> <ID> (128)
1
> <all_id> (128)
dual_128
> <SOURCE> (128)
14592479
> <Target> (128)
serotonin reuptake inhibition
> <IC50> (128)
0
> <Ki> (128)
20.2
> <Year> (128)
2003
$$$$
Structure328
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (129)
129
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C26H29FN2O2S
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5ht1a
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14592479
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serotonin reuptake inhibition
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0
> <Ki> (129)
2.12
> <Year> (129)
2003
$$$$
Structure244
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
46 48 0 0 0 0 0 0 0 0999 V2000
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M END
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C19H22ClN3O
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5ht1a
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11462981
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serotonin reuptake inhibition
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0
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>5000
> <Year> (12)
2001
$$$$
Structure329
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (130)
130
> <Formula> (130)
C26H30N2O2S
> <MolWeight> (130)
434.5936
> <Name> (130)
5ht1a
> <ID> (130)
9
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dual_130
> <SOURCE> (130)
14592479
> <Target> (130)
serotonin reuptake inhibition
> <IC50> (130)
2.12
> <Ki> (130)
7.11
> <Year> (130)
2003
$$$$
Structure330
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
65 69 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (131)
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C27H32N2O3S
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5ht1a
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dual_131
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14592479
> <Target> (131)
serotonin reuptake inhibition
> <IC50> (131)
0
> <Ki> (131)
13.48
> <Year> (131)
2003
$$$$
Structure331
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (132)
132
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C28H34N2O4S
> <MolWeight> (132)
494.64556
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5ht1a
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11
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dual_132
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14592479
> <Target> (132)
serotonin reuptake inhibition
> <IC50> (132)
0
> <Ki> (132)
23.15
> <Year> (132)
2003
$$$$
Structure332
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
64 68 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (133)
133
> <Formula> (133)
C27H32N2O2S
> <MolWeight> (133)
448.62018
> <Name> (133)
5ht1a
> <ID> (133)
12
> <all_id> (133)
dual_133
> <SOURCE> (133)
14592479
> <Target> (133)
serotonin reuptake inhibition
> <IC50> (133)
0
> <Ki> (133)
10.52
> <Year> (133)
2003
$$$$
Structure333
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
67 71 0 0 0 0 0 0 0 0999 V2000
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serotonin reuptake inhibition
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0
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104.63
> <Year> (134)
2003
$$$$
Structure334
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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C26H29FN2O2S
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5ht1a
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dual_135
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14592479
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serotonin reuptake inhibition
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0
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0.75
> <Year> (135)
2003
$$$$
Structure335
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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C26H29FN2O2S
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14592479
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serotonin reuptake inhibition
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0
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5.65
> <Year> (136)
2003
$$$$
Structure336
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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> <Mol_ID> (137)
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C26H29FN2O2S
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5ht1a
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17
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dual_137
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14592479
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serotonin reuptake inhibition
> <IC50> (137)
0
> <Ki> (137)
12.35
> <Year> (137)
2003
$$$$
Structure337
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (138)
138
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C26H29ClN2O2S
> <MolWeight> (138)
469.03866
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5ht1a
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18
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dual_138
> <SOURCE> (138)
14592479
> <Target> (138)
serotonin reuptake inhibition
> <IC50> (138)
0
> <Ki> (138)
15.65
> <Year> (138)
2003
$$$$
Structure338
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
66 70 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (139)
139
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C27H31N3O4S
> <MolWeight> (139)
493.61774
> <Name> (139)
5ht1a
> <ID> (139)
19
> <all_id> (139)
dual_139
> <SOURCE> (139)
14592479
> <Target> (139)
serotonin reuptake inhibition
> <IC50> (139)
0
> <Ki> (139)
12.65
> <Year> (139)
2003
$$$$
Structure245
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
48 50 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (13)
13
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C20H24N2O2
> <MolWeight> (13)
324.41676
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5ht1a
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3a
> <all_id> (13)
dual_13
> <SOURCE> (13)
11462981
> <Target> (13)
serotonin reuptake inhibition
> <IC50> (13)
0
> <Ki> (13)
5000
> <Year> (13)
2001
$$$$
Structure339
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
64 68 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (140)
140
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C27H31NO4S
> <MolWeight> (140)
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5ht1a
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dual_140
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14592479
> <Target> (140)
serotonin reuptake inhibition
> <IC50> (140)
0
> <Ki> (140)
4.84
> <Year> (140)
2003
$$$$
Structure340
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
68 72 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (141)
141
> <Formula> (141)
C28H34N2O3S
> <MolWeight> (141)
478.64616
> <Name> (141)
5ht1a
> <ID> (141)
28
> <all_id> (141)
dual_141
> <SOURCE> (141)
14592479
> <Target> (141)
serotonin reuptake inhibition
> <IC50> (141)
0
> <Ki> (141)
9.42
> <Year> (141)
2003
$$$$
Structure342
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
66 71 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (143)
143
> <Formula> (143)
C28H32N2O3S
> <MolWeight> (143)
476.63028
> <Name> (143)
5ht1a
> <ID> (143)
33
> <all_id> (143)
dual_143
> <SOURCE> (143)
14592479
> <Target> (143)
serotonin reuptake inhibition
> <IC50> (143)
0
> <Ki> (143)
20.9
> <Year> (143)
2003
$$$$
Structure343
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
67 72 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (144)
144
> <Formula> (144)
C28H31N3O4S
> <MolWeight> (144)
505.62844
> <Name> (144)
5ht1a
> <ID> (144)
34
> <all_id> (144)
dual_144
> <SOURCE> (144)
14592479
> <Target> (144)
serotonin reuptake inhibition
> <IC50> (144)
0
> <Ki> (144)
12.36
> <Year> (144)
2003
$$$$
Structure402
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 63 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (145)
145
> <Formula> (145)
C27H27NO3
> <MolWeight> (145)
413.50818
> <Name> (145)
5ht1a
> <ID> (145)
16
> <all_id> (145)
dual_145
> <SOURCE> (145)
14698193
> <Target> (145)
serotonin reuptake inhibition
> <IC50> (145)
0.0767
> <Ki> (145)
0
> <Year> (145)
2004
$$$$
Structure403
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 63 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (146)
146
> <Formula> (146)
C27H27NO3
> <MolWeight> (146)
413.50818
> <Name> (146)
5ht1a
> <ID> (146)
17
> <all_id> (146)
dual_146
> <SOURCE> (146)
14698193
> <Target> (146)
serotonin reuptake inhibition
> <IC50> (146)
0.951
> <Ki> (146)
0
> <Year> (146)
2004
$$$$
Structure404
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 61 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (147)
147
> <Formula> (147)
C25H25FN2O3
> <MolWeight> (147)
420.4760032
> <Name> (147)
5ht1a
> <ID> (147)
18
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dual_147
> <SOURCE> (147)
14698193
> <Target> (147)
serotonin reuptake inhibition
> <IC50> (147)
0.138
> <Ki> (147)
0
> <Year> (147)
2004
$$$$
Structure405
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
57 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (148)
148
> <Formula> (148)
C26H26N2O3
> <MolWeight> (148)
414.49624
> <Name> (148)
5ht1a
> <ID> (148)
19
> <all_id> (148)
dual_148
> <SOURCE> (148)
14698193
> <Target> (148)
serotonin reuptake inhibition
> <IC50> (148)
0.109
> <Ki> (148)
0
> <Year> (148)
2004
$$$$
Structure406
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
52 56 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (149)
149
> <Formula> (149)
C23H23Cl2NO3
> <MolWeight> (149)
432.33962
> <Name> (149)
5ht1a
> <ID> (149)
20
> <all_id> (149)
dual_149
> <SOURCE> (149)
14698193
> <Target> (149)
serotonin reuptake inhibition
> <IC50> (149)
0.26
> <Ki> (149)
0
> <Year> (149)
2004
$$$$
Structure246
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
50 52 0 0 0 0 0 0 0 0999 V2000
-0.0167 1.3781 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4074 4.0985 1.4307 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2634 5.6214 1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1516 7.5269 2.9538 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.1035 6.3287 4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (14)
14
> <Formula> (14)
C20H26N2O2
> <MolWeight> (14)
326.43264
> <Name> (14)
5ht1a
> <ID> (14)
3b
> <all_id> (14)
dual_14
> <SOURCE> (14)
11462981
> <Target> (14)
serotonin reuptake inhibition
> <IC50> (14)
0
> <Ki> (14)
>5000
> <Year> (14)
2001
$$$$
Structure407
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 66 0 0 0 0 0 0 0 0999 V2000
-0.0168 1.3842 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1605 2.0675 0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (150)
150
> <Formula> (150)
C27H29NO4
> <MolWeight> (150)
431.52346
> <Name> (150)
5ht1a
> <ID> (150)
21
> <all_id> (150)
dual_150
> <SOURCE> (150)
14698193
> <Target> (150)
serotonin reuptake inhibition
> <IC50> (150)
0
> <Ki> (150)
0.81
> <Year> (150)
2004
$$$$
Structure408
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
64 69 0 0 0 0 0 0 0 0999 V2000
-0.0168 1.3842 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (151)
151
> <Formula> (151)
C28H31NO4
> <MolWeight> (151)
445.55004
> <Name> (151)
5ht1a
> <ID> (151)
22
> <all_id> (151)
dual_151
> <SOURCE> (151)
14698193
> <Target> (151)
serotonin reuptake inhibition
> <IC50> (151)
0
> <Ki> (151)
5.87
> <Year> (151)
2004
$$$$
Structure409
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
55 59 0 0 0 0 0 0 0 0999 V2000
-0.0168 1.3842 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1828 -0.7145 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1006 3.4485 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (152)
152
> <Formula> (152)
C23H27NO4
> <MolWeight> (152)
381.46478
> <Name> (152)
5ht1a
> <ID> (152)
23
> <all_id> (152)
dual_152
> <SOURCE> (152)
14698193
> <Target> (152)
serotonin reuptake inhibition
> <IC50> (152)
0
> <Ki> (152)
1.53
> <Year> (152)
2004
$$$$
Structure410
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
-0.0168 1.3842 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1828 -0.7145 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1605 2.0675 0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.1006 3.4485 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (153)
153
> <Formula> (153)
C24H29NO4
> <MolWeight> (153)
395.49136
> <Name> (153)
5ht1a
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24
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dual_153
> <SOURCE> (153)
14698193
> <Target> (153)
serotonin reuptake inhibition
> <IC50> (153)
0
> <Ki> (153)
3.05
> <Year> (153)
2004
$$$$
Structure411
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (154)
154
> <Formula> (154)
C24H29NO5
> <MolWeight> (154)
411.49076
> <Name> (154)
5ht1a
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25
> <all_id> (154)
dual_154
> <SOURCE> (154)
14698193
> <Target> (154)
serotonin reuptake inhibition
> <IC50> (154)
0
> <Ki> (154)
39
> <Year> (154)
2004
$$$$
Structure412
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (155)
155
> <Formula> (155)
C24H26F3NO4
> <MolWeight> (155)
449.4627496
> <Name> (155)
5ht1a
> <ID> (155)
26
> <all_id> (155)
dual_155
> <SOURCE> (155)
14698193
> <Target> (155)
serotonin reuptake inhibition
> <IC50> (155)
0
> <Ki> (155)
0.33
> <Year> (155)
2004
$$$$
Structure413
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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M END
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C25H28F3NO4
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5ht1a
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14698193
> <Target> (156)
serotonin reuptake inhibition
> <IC50> (156)
0
> <Ki> (156)
2.92
> <Year> (156)
2004
$$$$
Structure414
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (157)
157
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C21H25N3O4
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383.4409
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5ht1a
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28
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dual_157
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14698193
> <Target> (157)
serotonin reuptake inhibition
> <IC50> (157)
0
> <Ki> (157)
46
> <Year> (157)
2004
$$$$
Structure415
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 60 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (158)
158
> <Formula> (158)
C22H27N3O4
> <MolWeight> (158)
397.46748
> <Name> (158)
5ht1a
> <ID> (158)
29
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dual_158
> <SOURCE> (158)
14698193
> <Target> (158)
serotonin reuptake inhibition
> <IC50> (158)
0
> <Ki> (158)
61.6
> <Year> (158)
2004
$$$$
Structure416
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 63 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (159)
159
> <Formula> (159)
C25H27NO4S
> <MolWeight> (159)
437.55118
> <Name> (159)
5ht1a
> <ID> (159)
30
> <all_id> (159)
dual_159
> <SOURCE> (159)
14698193
> <Target> (159)
serotonin reuptake inhibition
> <IC50> (159)
0
> <Ki> (159)
1.6
> <Year> (159)
2004
$$$$
Structure247
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
63 66 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (15)
15
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11462981
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serotonin reuptake inhibition
> <IC50> (15)
0
> <Ki> (15)
>5000
> <Year> (15)
2001
$$$$
Structure417
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (160)
160
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C26H29NO4S
> <MolWeight> (160)
451.57776
> <Name> (160)
5ht1a
> <ID> (160)
31
> <all_id> (160)
dual_160
> <SOURCE> (160)
14698193
> <Target> (160)
serotonin reuptake inhibition
> <IC50> (160)
0
> <Ki> (160)
16.7
> <Year> (160)
2004
$$$$
Structure418
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
65 68 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (161)
161
> <Formula> (161)
C25H34N4O2
> <MolWeight> (161)
422.56306
> <Name> (161)
5ht1a
> <ID> (161)
1
> <all_id> (161)
dual_161
> <SOURCE> (161)
15239661
> <Target> (161)
serotonin reuptake inhibition
> <IC50> (161)
>4.5
> <Ki> (161)
>10000
> <Year> (161)
2004
$$$$
Structure420
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
44 46 0 0 0 0 0 0 0 0999 V2000
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serotonin reuptake inhibition
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2004
$$$$
Structure422
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
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15239661
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serotonin reuptake inhibition
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0
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29.5
> <Year> (165)
2004
$$$$
Structure424
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
51 53 0 0 0 0 0 0 0 0999 V2000
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C21H26N2O2
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15239661
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serotonin reuptake inhibition
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0
> <Ki> (167)
31.5
> <Year> (167)
2004
$$$$
Structure426
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
48 50 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (169)
169
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C20H23FN2O2
> <MolWeight> (169)
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5ht1a
> <ID> (169)
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15239661
> <Target> (169)
serotonin reuptake inhibition
> <IC50> (169)
0.02
> <Ki> (169)
0.48
> <Year> (169)
2004
$$$$
Structure248
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
42 44 0 0 0 0 0 0 0 0999 V2000
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$$$$
Structure428
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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serotonin reuptake inhibition
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$$$$
Structure430
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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serotonin reuptake inhibition
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0.249
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43
> <Year> (173)
2004
$$$$
Structure432
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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> <Mol_ID> (175)
175
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15239661
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serotonin reuptake inhibition
> <IC50> (175)
0.0205
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1.36
> <Year> (175)
2004
$$$$
Structure434
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
50 53 0 0 0 0 0 0 0 0999 V2000
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$$$$
Structure436
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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$$$$
Structure249
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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serotonin reuptake inhibition
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$$$$
Structure438
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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serotonin reuptake inhibition
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2004
$$$$
Structure440
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
48 51 0 0 0 0 0 0 0 0999 V2000
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serotonin reuptake inhibition
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Structure589
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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serotonin reuptake inhibition
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$$$$
Structure591
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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15239661
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serotonin reuptake inhibition
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0.0244
> <Ki> (187)
2
> <Year> (187)
2004
$$$$
Structure593
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
51 54 0 0 0 0 0 0 0 0999 V2000
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C22H25N3O
> <MolWeight> (189)
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15239661
> <Target> (189)
serotonin reuptake inhibition
> <IC50> (189)
0.862
> <Ki> (189)
19.5
> <Year> (189)
2004
$$$$
Structure250
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
57 60 0 0 0 0 0 0 0 0999 V2000
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11462981
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serotonin reuptake inhibition
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0
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> <Year> (18)
2001
$$$$
Structure595
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
47 50 0 0 0 0 0 0 0 0999 V2000
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> <Mol_ID> (191)
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C20H22N4O
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15239661
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serotonin reuptake inhibition
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0
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15.5
> <Year> (191)
2004
$$$$
Structure597
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
47 50 0 0 0 0 0 0 0 0999 V2000
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> <Mol_ID> (193)
193
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C20H21FN4O
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5ht1a
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15239661
> <Target> (193)
serotonin reuptake inhibition
> <IC50> (193)
0
> <Ki> (193)
0.39
> <Year> (193)
2004
$$$$
Structure599
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
47 50 0 0 0 0 0 0 0 0999 V2000
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> <Mol_ID> (195)
195
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C20H20ClFN4O
> <MolWeight> (195)
386.8504032
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5ht1a
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22
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dual_195
> <SOURCE> (195)
15239661
> <Target> (195)
serotonin reuptake inhibition
> <IC50> (195)
0.0045
> <Ki> (195)
0.39
> <Year> (195)
2004
$$$$
Structure601
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
47 50 0 0 0 0 0 0 0 0999 V2000
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> <Mol_ID> (197)
197
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C21H21FN2O2
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15239661
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serotonin reuptake inhibition
> <IC50> (197)
0.0281
> <Ki> (197)
5.8
> <Year> (197)
2004
$$$$
Structure603
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
49 52 0 0 0 0 0 0 0 0999 V2000
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> <Mol_ID> (199)
199
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C21H23FN2O2
> <MolWeight> (199)
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5ht1a
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dual_199
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15239661
> <Target> (199)
serotonin reuptake inhibition
> <IC50> (199)
0.0097
> <Ki> (199)
1.67
> <Year> (199)
2004
$$$$
Structure251
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
44 46 0 0 0 0 0 0 0 0999 V2000
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M END
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19
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C19H21ClN2O
> <MolWeight> (19)
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5ht1a
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5a
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11462981
> <Target> (19)
serotonin reuptake inhibition
> <IC50> (19)
0
> <Ki> (19)
180
> <Year> (19)
2001
$$$$
Structure233
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
48 50 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (1)
1
> <Formula> (1)
C20H24N2O2
> <MolWeight> (1)
324.41676
> <Name> (1)
5ht1a
> <ID> (1)
1a
> <all_id> (1)
dual_1
> <SOURCE> (1)
11462981
> <Target> (1)
serotonin reuptake inhibition
> <IC50> (1)
0
> <Ki> (1)
50
> <Year> (1)
2001
$$$$
Structure605
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
47 50 0 0 0 0 0 0 0 0999 V2000
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serotonin reuptake inhibition
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Structure607
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
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15239661
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serotonin reuptake inhibition
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0.254
> <Ki> (203)
10.5
> <Year> (203)
2004
$$$$
Structure609
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
49 52 0 0 0 0 0 0 0 0999 V2000
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15239661
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serotonin reuptake inhibition
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0.0615
> <Ki> (205)
1.17
> <Year> (205)
2004
$$$$
Structure611
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
54 57 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (207)
207
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C23H27FN2O
> <MolWeight> (207)
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> <Name> (207)
5ht1a
> <ID> (207)
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> <SOURCE> (207)
15239661
> <Target> (207)
serotonin reuptake inhibition
> <IC50> (207)
0.305
> <Ki> (207)
33.5
> <Year> (207)
2004
$$$$
Structure613
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
47 50 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (209)
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C20H21FN2O3
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5ht1a
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15239661
> <Target> (209)
serotonin reuptake inhibition
> <IC50> (209)
0.0847
> <Ki> (209)
13.5
> <Year> (209)
2004
$$$$
Structure252
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
46 48 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (20)
20
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C19H23ClN2O
> <MolWeight> (20)
330.85172
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5ht1a
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5b
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11462981
> <Target> (20)
serotonin reuptake inhibition
> <IC50> (20)
0
> <Ki> (20)
115
> <Year> (20)
2001
$$$$
Structure615
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
50 53 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (211)
211
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C21H23FN2O3
> <MolWeight> (211)
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5ht1a
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30
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dual_211
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15239661
> <Target> (211)
serotonin reuptake inhibition
> <IC50> (211)
0.0063
> <Ki> (211)
0.08
> <Year> (211)
2004
$$$$
Structure617
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
50 53 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (213)
213
> <Formula> (213)
C21H22F2N2O3
> <MolWeight> (213)
388.4077864
> <Name> (213)
5ht1a
> <ID> (213)
31
> <all_id> (213)
dual_213
> <SOURCE> (213)
15239661
> <Target> (213)
serotonin reuptake inhibition
> <IC50> (213)
0.0246
> <Ki> (213)
0.49
> <Year> (213)
2004
$$$$
Structure619
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
49 52 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (215)
215
> <Formula> (215)
C21H23FN2O2
> <MolWeight> (215)
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5ht1a
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dual_215
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15239661
> <Target> (215)
serotonin reuptake inhibition
> <IC50> (215)
0.0422
> <Ki> (215)
6.8
> <Year> (215)
2004
$$$$
Structure621
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
49 52 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (217)
217
> <Formula> (217)
C21H22F2N2O2
> <MolWeight> (217)
372.4083864
> <Name> (217)
5ht1a
> <ID> (217)
33
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dual_217
> <SOURCE> (217)
15239661
> <Target> (217)
serotonin reuptake inhibition
> <IC50> (217)
0.0864
> <Ki> (217)
5
> <Year> (217)
2004
$$$$
Structure623
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
52 55 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (219)
219
> <Formula> (219)
C22H24F2N2O2
> <MolWeight> (219)
386.4349664
> <Name> (219)
5ht1a
> <ID> (219)
34
> <all_id> (219)
dual_219
> <SOURCE> (219)
15239661
> <Target> (219)
serotonin reuptake inhibition
> <IC50> (219)
0.007
> <Ki> (219)
0.47
> <Year> (219)
2004
$$$$
Structure253
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
59 62 0 0 0 0 0 0 0 0999 V2000
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0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1709 2.0855 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (21)
21
> <Formula> (21)
C26H26ClF3N2O
> <MolWeight> (21)
474.9456496
> <Name> (21)
5ht1a
> <ID> (21)
5c
> <all_id> (21)
dual_21
> <SOURCE> (21)
11462981
> <Target> (21)
serotonin reuptake inhibition
> <IC50> (21)
0
> <Ki> (21)
>5000
> <Year> (21)
2001
$$$$
Structure447
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
55 58 0 0 0 0 0 0 0 0999 V2000
-0.0169 1.3963 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2294 -0.6884 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4178 0.0369 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3849 1.4137 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
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serotonin reuptake inhibition
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Structure449
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CORINA evaluation license 3.40 0067 02.08.2006
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serotonin reuptake inhibition
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2005
$$$$
Structure451
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 60 0 0 0 0 0 0 0 0999 V2000
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5ht1a
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15664848
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serotonin reuptake inhibition
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0
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12.6
> <Year> (225)
2005
$$$$
Structure453
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 60 0 0 0 0 0 0 0 0999 V2000
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serotonin reuptake inhibition
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0
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1.26
> <Year> (227)
2005
$$$$
Structure455
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
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C24H25N3O3
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15664848
> <Target> (229)
serotonin reuptake inhibition
> <IC50> (229)
0
> <Ki> (229)
1.58
> <Year> (229)
2005
$$$$
Structure254
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
44 46 0 0 0 0 0 0 0 0999 V2000
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M END
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C19H21FN2O
> <MolWeight> (22)
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5ht1a
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11462981
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serotonin reuptake inhibition
> <IC50> (22)
0
> <Ki> (22)
800
> <Year> (22)
2001
$$$$
Structure457
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
57 61 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (231)
231
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C24H26N4O3
> <MolWeight> (231)
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> <Name> (231)
5ht1a
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15664848
> <Target> (231)
serotonin reuptake inhibition
> <IC50> (231)
0
> <Ki> (231)
10
> <Year> (231)
2005
$$$$
Structure459
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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M END
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5ht1a
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dual_233
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15664848
> <Target> (233)
serotonin reuptake inhibition
> <IC50> (233)
0
> <Ki> (233)
1.26
> <Year> (233)
2005
$$$$
Structure461
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (235)
235
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C26H29N3O3
> <MolWeight> (235)
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5ht1a
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31
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dual_235
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15664848
> <Target> (235)
serotonin reuptake inhibition
> <IC50> (235)
0
> <Ki> (235)
0.316
> <Year> (235)
2005
$$$$
Structure463
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
55 59 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (237)
237
> <Formula> (237)
C23H25N3O4
> <MolWeight> (237)
407.4623
> <Name> (237)
5ht1a
> <ID> (237)
12
> <all_id> (237)
dual_237
> <SOURCE> (237)
15664848
> <Target> (237)
serotonin reuptake inhibition
> <IC50> (237)
0
> <Ki> (237)
3.98
> <Year> (237)
2005
$$$$
Structure465
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 60 0 0 0 0 0 0 0 0999 V2000
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serotonin reuptake inhibition
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2005
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Structure255
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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serotonin reuptake inhibition
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0
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145
> <Year> (23)
2001
$$$$
Structure467
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
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241
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C25H26N2O4
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5ht1a
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15664848
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serotonin reuptake inhibition
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0
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2.51
> <Year> (241)
2005
$$$$
Structure469
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 60 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (243)
243
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C24H25N3O4
> <MolWeight> (243)
419.473
> <Name> (243)
5ht1a
> <ID> (243)
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dual_243
> <SOURCE> (243)
15664848
> <Target> (243)
serotonin reuptake inhibition
> <IC50> (243)
0
> <Ki> (243)
7.94
> <Year> (243)
2005
$$$$
Structure473
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 60 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (247)
247
> <Formula> (247)
C24H25N3O4
> <MolWeight> (247)
419.473
> <Name> (247)
5ht1a
> <ID> (247)
18
> <all_id> (247)
dual_247
> <SOURCE> (247)
15664848
> <Target> (247)
serotonin reuptake inhibition
> <IC50> (247)
0
> <Ki> (247)
6.31
> <Year> (247)
2005
$$$$
Structure256
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
59 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (24)
24
> <Formula> (24)
C26H26F4N2O
> <MolWeight> (24)
458.4910528
> <Name> (24)
5ht1a
> <ID> (24)
6c
> <all_id> (24)
dual_24
> <SOURCE> (24)
11462981
> <Target> (24)
serotonin reuptake inhibition
> <IC50> (24)
0
> <Ki> (24)
>5000
> <Year> (24)
2001
$$$$
Structure442
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
63 68 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (251)
251
> <Formula> (251)
C27H31FN4
> <MolWeight> (251)
430.5602432
> <Name> (251)
5ht1a
> <ID> (251)
8a
> <all_id> (251)
dual_251
> <SOURCE> (251)
15686885
> <Target> (251)
serotonin reuptake inhibition
> <IC50> (251)
0
> <Ki> (251)
36.7
> <Year> (251)
2005
$$$$
Structure443
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 61 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (252)
252
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C24H29FN2O2
> <MolWeight> (252)
396.4976632
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5ht1a
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9a
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dual_252
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15686885
> <Target> (252)
serotonin reuptake inhibition
> <IC50> (252)
0
> <Ki> (252)
307
> <Year> (252)
2005
$$$$
Structure444
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (253)
253
> <Formula> (253)
C25H29FN2O3
> <MolWeight> (253)
424.5077632
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5ht1a
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10a
> <all_id> (253)
dual_253
> <SOURCE> (253)
15686885
> <Target> (253)
serotonin reuptake inhibition
> <IC50> (253)
0
> <Ki> (253)
484
> <Year> (253)
2005
$$$$
Structure445
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (254)
254
> <Formula> (254)
C25H28FN3O
> <MolWeight> (254)
405.5077232
> <Name> (254)
5ht1a
> <ID> (254)
11a
> <all_id> (254)
dual_254
> <SOURCE> (254)
15686885
> <Target> (254)
serotonin reuptake inhibition
> <IC50> (254)
0
> <Ki> (254)
147
> <Year> (254)
2005
$$$$
Structure446
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
53 57 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (255)
255
> <Formula> (255)
C23H25FN2O2
> <MolWeight> (255)
380.4552032
> <Name> (255)
5ht1a
> <ID> (255)
15a
> <all_id> (255)
dual_255
> <SOURCE> (255)
15686885
> <Target> (255)
serotonin reuptake inhibition
> <IC50> (255)
0
> <Ki> (255)
332
> <Year> (255)
2005
$$$$
Structure625
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
63 67 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (256)
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C26H32FN3O
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15686885
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serotonin reuptake inhibition
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0
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129
> <Year> (256)
2005
$$$$
Structure477
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (258)
258
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C24H26N2O2S
> <MolWeight> (258)
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16298130
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serotonin reuptake inhibition
> <IC50> (258)
0
> <Ki> (258)
3.7
> <Year> (258)
2006
$$$$
Structure257
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
43 45 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (25)
25
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C18H21N3O
> <MolWeight> (25)
295.37884
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5ht1a
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11462981
> <Target> (25)
serotonin reuptake inhibition
> <IC50> (25)
0
> <Ki> (25)
50
> <Year> (25)
2001
$$$$
Structure481
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
62 66 0 0 0 0 0 0 0 0999 V2000
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serotonin reuptake inhibition
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0
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4.83
> <Year> (262)
2006
$$$$
Structure258
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
45 47 0 0 0 0 0 0 0 0999 V2000
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M END
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26
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C18H23N3O
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5ht1a
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dual_26
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11462981
> <Target> (26)
serotonin reuptake inhibition
> <IC50> (26)
0
> <Ki> (26)
155
> <Year> (26)
2001
$$$$
Structure259
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 61 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (27)
27
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C25H26F3N3O
> <MolWeight> (27)
441.4886496
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7c
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dual_27
> <SOURCE> (27)
11462981
> <Target> (27)
serotonin reuptake inhibition
> <IC50> (27)
0
> <Ki> (27)
1600
> <Year> (27)
2001
$$$$
Structure645
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
48 51 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (284)
284
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C20H22FN3O2
> <MolWeight> (284)
355.4059832
> <Name> (284)
5ht1a
> <ID> (284)
3a
> <all_id> (284)
dual_284
> <SOURCE> (284)
16332439
> <Target> (284)
serotonin reuptake inhibition
> <IC50> (284)
0
> <Ki> (284)
9.31
> <Year> (284)
2006
$$$$
Structure646
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
48 51 0 0 0 0 0 0 0 0999 V2000
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serotonin reuptake inhibition
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0
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2006
$$$$
Structure647
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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serotonin reuptake inhibition
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2006
$$$$
Structure648
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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16332439
> <Target> (287)
serotonin reuptake inhibition
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0
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15.31
> <Year> (287)
2006
$$$$
Structure649
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
44 47 0 0 0 0 0 0 0 0999 V2000
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16332439
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serotonin reuptake inhibition
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0
> <Ki> (288)
10.98
> <Year> (288)
2006
$$$$
Structure650
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
53 56 0 0 0 0 0 0 0 0999 V2000
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16332439
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serotonin reuptake inhibition
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0
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2006
$$$$
Structure260
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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11462981
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serotonin reuptake inhibition
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0
> <Ki> (28)
>5000
> <Year> (28)
2001
$$$$
Structure651
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
53 56 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (290)
290
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C22H27N3O
> <MolWeight> (290)
349.46928
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5ht1a
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3g
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dual_290
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16332439
> <Target> (290)
serotonin reuptake inhibition
> <IC50> (290)
0
> <Ki> (290)
12.76
> <Year> (290)
2006
$$$$
Structure652
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 59 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (291)
291
> <Formula> (291)
C23H29N3O
> <MolWeight> (291)
363.49586
> <Name> (291)
5ht1a
> <ID> (291)
3h
> <all_id> (291)
dual_291
> <SOURCE> (291)
16332439
> <Target> (291)
serotonin reuptake inhibition
> <IC50> (291)
0
> <Ki> (291)
90.42
> <Year> (291)
2006
$$$$
Structure653
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
47 50 0 0 0 0 0 0 0 0999 V2000
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16332439
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serotonin reuptake inhibition
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0
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75.18
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2006
$$$$
Structure654
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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16332439
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serotonin reuptake inhibition
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0
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8.15
> <Year> (293)
2006
$$$$
Structure655
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
47 50 0 0 0 0 0 0 0 0999 V2000
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294
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C20H23N3O
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321.41612
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5ht1a
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3k
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dual_294
> <SOURCE> (294)
16332439
> <Target> (294)
serotonin reuptake inhibition
> <IC50> (294)
0
> <Ki> (294)
5.86
> <Year> (294)
2006
$$$$
Structure656
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
44 47 0 0 0 0 0 0 0 0999 V2000
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M END
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295
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C19H21N3O
> <MolWeight> (295)
307.38954
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5ht1a
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3l
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dual_295
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16332439
> <Target> (295)
serotonin reuptake inhibition
> <IC50> (295)
0
> <Ki> (295)
6.91
> <Year> (295)
2006
$$$$
Structure657
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
60 64 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (296)
296
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C27H29N3O
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5ht1a
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3m
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dual_296
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16332439
> <Target> (296)
serotonin reuptake inhibition
> <IC50> (296)
0
> <Ki> (296)
76.14
> <Year> (296)
2006
$$$$
Structure658
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (297)
297
> <Formula> (297)
C25H24FN3O
> <MolWeight> (297)
401.4759632
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5ht1a
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3n
> <all_id> (297)
dual_297
> <SOURCE> (297)
16332439
> <Target> (297)
serotonin reuptake inhibition
> <IC50> (297)
0
> <Ki> (297)
7.14
> <Year> (297)
2006
$$$$
Structure659
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
57 61 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (298)
298
> <Formula> (298)
C26H26FN3O
> <MolWeight> (298)
415.5025432
> <Name> (298)
5ht1a
> <ID> (298)
3o
> <all_id> (298)
dual_298
> <SOURCE> (298)
16332439
> <Target> (298)
serotonin reuptake inhibition
> <IC50> (298)
0
> <Ki> (298)
7.25
> <Year> (298)
2006
$$$$
Structure660
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
54 58 0 0 0 0 0 0 0 0999 V2000
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serotonin reuptake inhibition
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0
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2006
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Structure261
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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11462981
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serotonin reuptake inhibition
> <IC50> (29)
0
> <Ki> (29)
>5000
> <Year> (29)
2001
$$$$
Structure234
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
50 52 0 0 0 0 0 0 0 0999 V2000
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> <MolWeight> (2)
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5ht1a
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11462981
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serotonin reuptake inhibition
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0
> <Ki> (2)
47.5
> <Year> (2)
2001
$$$$
Structure661
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
57 61 0 0 0 0 0 0 0 0999 V2000
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> <Mol_ID> (300)
300
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C26H27N3O
> <MolWeight> (300)
397.51208
> <Name> (300)
5ht1a
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3q
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dual_300
> <SOURCE> (300)
16332439
> <Target> (300)
serotonin reuptake inhibition
> <IC50> (300)
0
> <Ki> (300)
75.77
> <Year> (300)
2006
$$$$
Structure662
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
53 57 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (301)
301
> <Formula> (301)
C23H24FN3O2
> <MolWeight> (301)
393.4539632
> <Name> (301)
5ht1a
> <ID> (301)
4a
> <all_id> (301)
dual_301
> <SOURCE> (301)
16332439
> <Target> (301)
serotonin reuptake inhibition
> <IC50> (301)
0
> <Ki> (301)
154.85
> <Year> (301)
2006
$$$$
Structure663
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 60 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (302)
302
> <Formula> (302)
C24H26FN3O2
> <MolWeight> (302)
407.4805432
> <Name> (302)
5ht1a
> <ID> (302)
4b
> <all_id> (302)
dual_302
> <SOURCE> (302)
16332439
> <Target> (302)
serotonin reuptake inhibition
> <IC50> (302)
0
> <Ki> (302)
139.9
> <Year> (302)
2006
$$$$
Structure664
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
59 63 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (303)
303
> <Formula> (303)
C25H28FN3O2
> <MolWeight> (303)
421.5071232
> <Name> (303)
5ht1a
> <ID> (303)
4c
> <all_id> (303)
dual_303
> <SOURCE> (303)
16332439
> <Target> (303)
serotonin reuptake inhibition
> <IC50> (303)
0
> <Ki> (303)
136.45
> <Year> (303)
2006
$$$$
Structure665
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
49 53 0 0 0 0 0 0 0 0999 V2000
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1.1827 2.1071 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3752 1.4547 -0.0178 O 0 0 0 0 0 0 0 0 0 0 0 0
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9.6313 3.8936 5.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (304)
304
> <Formula> (304)
C22H23N3O
> <MolWeight> (304)
345.43752
> <Name> (304)
5ht1a
> <ID> (304)
4d
> <all_id> (304)
dual_304
> <SOURCE> (304)
16332439
> <Target> (304)
serotonin reuptake inhibition
> <IC50> (304)
0
> <Ki> (304)
804.8
> <Year> (304)
2006
$$$$
Structure666
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
62 66 0 0 0 0 0 0 0 0999 V2000
-0.0105 1.3953 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.0079 1.2706 4.3281 N 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (305)
305
> <Formula> (305)
C26H30FN3O2
> <MolWeight> (305)
435.5337032
> <Name> (305)
5ht1a
> <ID> (305)
4e
> <all_id> (305)
dual_305
> <SOURCE> (305)
16332439
> <Target> (305)
serotonin reuptake inhibition
> <IC50> (305)
0
> <Ki> (305)
362.8
> <Year> (305)
2006
$$$$
Structure667
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
52 55 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (306)
306
> <Formula> (306)
C22H25FN2O2
> <MolWeight> (306)
368.4445032
> <Name> (306)
5ht1a
> <ID> (306)
14
> <all_id> (306)
dual_306
> <SOURCE> (306)
16854086
> <Target> (306)
serotonin reuptake inhibition
> <IC50> (306)
0.015
> <Ki> (306)
6.8
> <Year> (306)
2006
$$$$
Structure669
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
55 58 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (308)
308
> <Formula> (308)
C23H27FN2O2
> <MolWeight> (308)
382.4710832
> <Name> (308)
5ht1a
> <ID> (308)
15
> <all_id> (308)
dual_308
> <SOURCE> (308)
16854086
> <Target> (308)
serotonin reuptake inhibition
> <IC50> (308)
0.064
> <Ki> (308)
2.2
> <Year> (308)
2006
$$$$
Structure262
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
62 65 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (30)
30
> <Formula> (30)
C26H27F3N3O3+
> <MolWeight> (30)
486.5060896
> <Name> (30)
5ht1a
> <ID> (30)
8c
> <all_id> (30)
dual_30
> <SOURCE> (30)
11462981
> <Target> (30)
serotonin reuptake inhibition
> <IC50> (30)
0
> <Ki> (30)
>5000
> <Year> (30)
2001
$$$$
Structure671
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 61 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (310)
310
> <Formula> (310)
C24H29FN2O2
> <MolWeight> (310)
396.4976632
> <Name> (310)
5ht1a
> <ID> (310)
16
> <all_id> (310)
dual_310
> <SOURCE> (310)
16854086
> <Target> (310)
serotonin reuptake inhibition
> <IC50> (310)
0.386
> <Ki> (310)
9
> <Year> (310)
2006
$$$$
Structure673
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
59 63 0 0 0 0 0 0 0 0999 V2000
0.3614 1.3383 -2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (312)
312
> <Formula> (312)
C25H29FN2O2
> <MolWeight> (312)
408.5083632
> <Name> (312)
5ht1a
> <ID> (312)
17
> <all_id> (312)
dual_312
> <SOURCE> (312)
16854086
> <Target> (312)
serotonin reuptake inhibition
> <IC50> (312)
0.0426
> <Ki> (312)
4.3
> <Year> (312)
2006
$$$$
Structure675
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
59 63 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (314)
314
> <Formula> (314)
C25H29FN2O2
> <MolWeight> (314)
408.5083632
> <Name> (314)
5ht1a
> <ID> (314)
18
> <all_id> (314)
dual_314
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serotonin reuptake inhibition
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13
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2006
$$$$
Structure677
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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dual_316
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16854086
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serotonin reuptake inhibition
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20.4
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2006
$$$$
Structure679
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
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318
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C22H23F2N3O2
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dual_318
> <SOURCE> (318)
16854086
> <Target> (318)
serotonin reuptake inhibition
> <IC50> (318)
0.116
> <Ki> (318)
14.8
> <Year> (318)
2006
$$$$
Structure263
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 61 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (31)
31
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C26H28N2O2
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400.51272
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5ht1a
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9a
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dual_31
> <SOURCE> (31)
11462981
> <Target> (31)
serotonin reuptake inhibition
> <IC50> (31)
0
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3650
> <Year> (31)
2001
$$$$
Structure681
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
52 55 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (320)
320
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C22H23F2N3O2
> <MolWeight> (320)
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5ht1a
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27
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dual_320
> <SOURCE> (320)
16854086
> <Target> (320)
serotonin reuptake inhibition
> <IC50> (320)
0.883
> <Ki> (320)
60.2
> <Year> (320)
2006
$$$$
Structure683
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 61 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (322)
322
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C24H27F2N3O2
> <MolWeight> (322)
427.4868864
> <Name> (322)
5ht1a
> <ID> (322)
28
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dual_322
> <SOURCE> (322)
16854086
> <Target> (322)
serotonin reuptake inhibition
> <IC50> (322)
0.0241
> <Ki> (322)
0.4
> <Year> (322)
2006
$$$$
Structure685
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
55 58 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (324)
324
> <Formula> (324)
C23H25F2N3O2
> <MolWeight> (324)
413.4603064
> <Name> (324)
5ht1a
> <ID> (324)
29
> <all_id> (324)
dual_324
> <SOURCE> (324)
16854086
> <Target> (324)
serotonin reuptake inhibition
> <IC50> (324)
>1
> <Ki> (324)
88
> <Year> (324)
2006
$$$$
Structure687
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 64 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (326)
326
> <Formula> (326)
C25H29F2N3O2
> <MolWeight> (326)
441.5134664
> <Name> (326)
5ht1a
> <ID> (326)
30
> <all_id> (326)
dual_326
> <SOURCE> (326)
16854086
> <Target> (326)
serotonin reuptake inhibition
> <IC50> (326)
0.217
> <Ki> (326)
12.2
> <Year> (326)
2006
$$$$
Structure689
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 60 0 0 0 0 0 0 0 0999 V2000
11.6808 0.8857 -2.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (328)
328
> <Formula> (328)
C24H27FN2O2
> <MolWeight> (328)
394.4817832
> <Name> (328)
5ht1a
> <ID> (328)
31
> <all_id> (328)
dual_328
> <SOURCE> (328)
16854086
> <Target> (328)
serotonin reuptake inhibition
> <IC50> (328)
>1
> <Ki> (328)
97.8
> <Year> (328)
2006
$$$$
Structure264
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
60 63 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (32)
32
> <Formula> (32)
C26H30N2O2
> <MolWeight> (32)
402.5286
> <Name> (32)
5ht1a
> <ID> (32)
9b
> <all_id> (32)
dual_32
> <SOURCE> (32)
11462981
> <Target> (32)
serotonin reuptake inhibition
> <IC50> (32)
0
> <Ki> (32)
850
> <Year> (32)
2001
$$$$
Structure691
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
62 66 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (330)
330
> <Formula> (330)
C26H29F2N3O2
> <MolWeight> (330)
453.5241664
> <Name> (330)
5ht1a
> <ID> (330)
32
> <all_id> (330)
dual_330
> <SOURCE> (330)
16854086
> <Target> (330)
serotonin reuptake inhibition
> <IC50> (330)
0.0824
> <Ki> (330)
3.3
> <Year> (330)
2006
$$$$
Structure693
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
62 66 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (332)
332
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C26H29F2N3O2
> <MolWeight> (332)
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> <Name> (332)
5ht1a
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33
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dual_332
> <SOURCE> (332)
16854086
> <Target> (332)
serotonin reuptake inhibition
> <IC50> (332)
0.3
> <Ki> (332)
10.4
> <Year> (332)
2006
$$$$
Structure697
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (336)
336
> <Formula> (336)
C26H28FN3O3
> <MolWeight> (336)
449.5172232
> <Name> (336)
5ht1a
> <ID> (336)
23
> <all_id> (336)
dual_336
> <SOURCE> (336)
17129726
> <Target> (336)
serotonin reuptake inhibition
> <IC50> (336)
0
> <Ki> (336)
20
> <Year> (336)
2007
$$$$
Structure699
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (338)
338
> <Formula> (338)
C26H28ClN3O3
> <MolWeight> (338)
465.97182
> <Name> (338)
5ht1a
> <ID> (338)
24
> <all_id> (338)
dual_338
> <SOURCE> (338)
17129726
> <Target> (338)
serotonin reuptake inhibition
> <IC50> (338)
0
> <Ki> (338)
39.8
> <Year> (338)
2007
$$$$
Structure265
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
73 77 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (33)
33
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C33H33F3N2O2
> <MolWeight> (33)
546.6225296
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5ht1a
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9c
> <all_id> (33)
dual_33
> <SOURCE> (33)
11462981
> <Target> (33)
serotonin reuptake inhibition
> <IC50> (33)
0
> <Ki> (33)
>5000
> <Year> (33)
2001
$$$$
Structure701
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (340)
340
> <Formula> (340)
C26H28FN3O3
> <MolWeight> (340)
449.5172232
> <Name> (340)
5ht1a
> <ID> (340)
25
> <all_id> (340)
dual_340
> <SOURCE> (340)
17129726
> <Target> (340)
serotonin reuptake inhibition
> <IC50> (340)
0
> <Ki> (340)
0.794
> <Year> (340)
2007
$$$$
Structure703
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (342)
342
> <Formula> (342)
C26H28ClN3O3
> <MolWeight> (342)
465.97182
> <Name> (342)
5ht1a
> <ID> (342)
26
> <all_id> (342)
dual_342
> <SOURCE> (342)
17129726
> <Target> (342)
serotonin reuptake inhibition
> <IC50> (342)
0
> <Ki> (342)
1.58
> <Year> (342)
2007
$$$$
Structure705
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
62 66 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (344)
344
> <Formula> (344)
C27H28N4O3
> <MolWeight> (344)
456.53622
> <Name> (344)
5ht1a
> <ID> (344)
27
> <all_id> (344)
dual_344
> <SOURCE> (344)
17129726
> <Target> (344)
serotonin reuptake inhibition
> <IC50> (344)
0
> <Ki> (344)
20
> <Year> (344)
2007
$$$$
Structure707
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (346)
346
> <Formula> (346)
C26H28FN3O3
> <MolWeight> (346)
449.5172232
> <Name> (346)
5ht1a
> <ID> (346)
28
> <all_id> (346)
dual_346
> <SOURCE> (346)
17129726
> <Target> (346)
serotonin reuptake inhibition
> <IC50> (346)
0
> <Ki> (346)
50.1
> <Year> (346)
2007
$$$$
Structure709
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (348)
348
> <Formula> (348)
C26H28FN3O3
> <MolWeight> (348)
449.5172232
> <Name> (348)
5ht1a
> <ID> (348)
29
> <all_id> (348)
dual_348
> <SOURCE> (348)
17129726
> <Target> (348)
serotonin reuptake inhibition
> <IC50> (348)
0
> <Ki> (348)
2.51
> <Year> (348)
2007
$$$$
Structure266
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
52 54 0 0 0 0 0 0 0 0999 V2000
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3.4430 6.5637 0.0034 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2122 7.9937 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (34)
34
> <Formula> (34)
C21H26N2O3
> <MolWeight> (34)
354.44274
> <Name> (34)
5ht1a
> <ID> (34)
10a
> <all_id> (34)
dual_34
> <SOURCE> (34)
11462981
> <Target> (34)
serotonin reuptake inhibition
> <IC50> (34)
0
> <Ki> (34)
1750
> <Year> (34)
2001
$$$$
Structure711
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
61 65 0 0 0 0 0 0 0 0999 V2000
5.9989 3.4081 2.0652 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.4236 5.3154 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7890 5.1808 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2737 4.1891 1.6912 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.6489 1.5166 3.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.5930 0.3585 4.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (350)
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> <MolWeight> (350)
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17129726
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serotonin reuptake inhibition
> <IC50> (350)
0
> <Ki> (350)
0.501
> <Year> (350)
2007
$$$$
Structure713
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (352)
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C26H28FN3O3
> <MolWeight> (352)
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5ht1a
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31
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dual_352
> <SOURCE> (352)
17129726
> <Target> (352)
serotonin reuptake inhibition
> <IC50> (352)
0
> <Ki> (352)
5.01
> <Year> (352)
2007
$$$$
Structure715
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
63 67 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (354)
354
> <Formula> (354)
C26H29F2N3O3
> <MolWeight> (354)
469.5235664
> <Name> (354)
5ht1a
> <ID> (354)
32
> <all_id> (354)
dual_354
> <SOURCE> (354)
17129726
> <Target> (354)
serotonin reuptake inhibition
> <IC50> (354)
0
> <Ki> (354)
1.58
> <Year> (354)
2007
$$$$
Structure717
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
63 67 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (356)
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> <MolWeight> (356)
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dual_356
> <SOURCE> (356)
17129726
> <Target> (356)
serotonin reuptake inhibition
> <IC50> (356)
0
> <Ki> (356)
2.51
> <Year> (356)
2007
$$$$
Structure719
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
63 67 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (358)
358
> <Formula> (358)
C26H29F2N3O3
> <MolWeight> (358)
469.5235664
> <Name> (358)
5ht1a
> <ID> (358)
34
> <all_id> (358)
dual_358
> <SOURCE> (358)
17129726
> <Target> (358)
serotonin reuptake inhibition
> <IC50> (358)
0
> <Ki> (358)
0.398
> <Year> (358)
2007
$$$$
Structure267
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
54 56 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (35)
35
> <Formula> (35)
C21H28N2O3
> <MolWeight> (35)
356.45862
> <Name> (35)
5ht1a
> <ID> (35)
10b
> <all_id> (35)
dual_35
> <SOURCE> (35)
11462981
> <Target> (35)
serotonin reuptake inhibition
> <IC50> (35)
0
> <Ki> (35)
325
> <Year> (35)
2001
$$$$
Structure721
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
63 67 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (360)
360
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C26H29ClFN3O3
> <MolWeight> (360)
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5ht1a
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dual_360
> <SOURCE> (360)
17129726
> <Target> (360)
serotonin reuptake inhibition
> <IC50> (360)
0
> <Ki> (360)
2.51
> <Year> (360)
2007
$$$$
Structure723
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
63 67 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (362)
362
> <Formula> (362)
C26H29F2N3O3
> <MolWeight> (362)
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> <Name> (362)
5ht1a
> <ID> (362)
36
> <all_id> (362)
dual_362
> <SOURCE> (362)
17129726
> <Target> (362)
serotonin reuptake inhibition
> <IC50> (362)
0
> <Ki> (362)
3.98
> <Year> (362)
2007
$$$$
Structure725
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
63 67 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (364)
364
> <Formula> (364)
C26H29ClFN3O3
> <MolWeight> (364)
485.9781632
> <Name> (364)
5ht1a
> <ID> (364)
37
> <all_id> (364)
dual_364
> <SOURCE> (364)
17129726
> <Target> (364)
serotonin reuptake inhibition
> <IC50> (364)
0
> <Ki> (364)
10
> <Year> (364)
2007
$$$$
Structure268
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
67 70 0 0 0 0 0 0 0 0999 V2000
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serotonin reuptake inhibition
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1000
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2001
$$$$
Structure269
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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11462981
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serotonin reuptake inhibition
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0
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50
> <Year> (37)
2001
$$$$
Structure270
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
53 55 0 0 0 0 0 0 0 0999 V2000
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38
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C20H26N3O4+
> <MolWeight> (38)
372.43814
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11462981
> <Target> (38)
serotonin reuptake inhibition
> <IC50> (38)
0
> <Ki> (38)
10
> <Year> (38)
2001
$$$$
Structure235
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
63 66 0 0 0 0 0 0 0 0999 V2000
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> <Mol_ID> (3)
3
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C27H29F3N2O2
> <MolWeight> (3)
470.5265696
> <Name> (3)
5ht1a
> <ID> (3)
1c
> <all_id> (3)
dual_3
> <SOURCE> (3)
11462981
> <Target> (3)
serotonin reuptake inhibition
> <IC50> (3)
0
> <Ki> (3)
450
> <Year> (3)
2001
$$$$
Structure274
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
64 67 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (42)
42
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C27H32N2O3
> <MolWeight> (42)
432.55458
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5ht1a
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1d
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dual_42
> <SOURCE> (42)
11462981
> <Target> (42)
serotonin reuptake inhibition
> <IC50> (42)
0
> <Ki> (42)
1450
> <Year> (42)
2001
$$$$
Structure275
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (43)
43
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C27H30N2O4
> <MolWeight> (43)
446.5381
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5ht1a
> <ID> (43)
1e
> <all_id> (43)
dual_43
> <SOURCE> (43)
11462981
> <Target> (43)
serotonin reuptake inhibition
> <IC50> (43)
0
> <Ki> (43)
500
> <Year> (43)
2001
$$$$
Structure276
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
50 52 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (44)
44
> <Formula> (44)
C20H25N3O2
> <MolWeight> (44)
339.4314
> <Name> (44)
5ht1a
> <ID> (44)
1g
> <all_id> (44)
dual_44
> <SOURCE> (44)
11462981
> <Target> (44)
serotonin reuptake inhibition
> <IC50> (44)
0
> <Ki> (44)
5000
> <Year> (44)
2001
$$$$
Structure277
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
44 46 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (45)
45
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C19H21ClN2O
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328.83584
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5ht1a
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2a
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dual_45
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11462981
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serotonin reuptake inhibition
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0
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300
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2001
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Structure278
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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11462981
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serotonin reuptake inhibition
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0
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350
> <Year> (46)
2001
$$$$
Structure279
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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47
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C26H26ClF3N2O
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2c
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dual_47
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11462981
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serotonin reuptake inhibition
> <IC50> (47)
0
> <Ki> (47)
350
> <Year> (47)
2001
$$$$
Structure349
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
54 58 0 0 0 0 0 0 0 0999 V2000
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> <Mol_ID> (77)
77
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C23H26N2O3
> <MolWeight> (77)
378.46414
> <Name> (77)
5ht1a
> <ID> (77)
20
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dual_77
> <SOURCE> (77)
11814784
> <Target> (77)
serotonin reuptake inhibition
> <IC50> (77)
0
> <Ki> (77)
45
> <Year> (77)
2002
$$$$
Structure350
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
54 58 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (78)
78
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C23H25FN2O3
> <MolWeight> (78)
396.4546032
> <Name> (78)
5ht1a
> <ID> (78)
21
> <all_id> (78)
dual_78
> <SOURCE> (78)
11814784
> <Target> (78)
serotonin reuptake inhibition
> <IC50> (78)
0
> <Ki> (78)
46.9
> <Year> (78)
2002
$$$$
Structure351
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
54 58 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (79)
79
> <Formula> (79)
C23H25FN2O3
> <MolWeight> (79)
396.4546032
> <Name> (79)
5ht1a
> <ID> (79)
22
> <all_id> (79)
dual_79
> <SOURCE> (79)
11814784
> <Target> (79)
serotonin reuptake inhibition
> <IC50> (79)
0
> <Ki> (79)
19.8
> <Year> (79)
2002
$$$$
Structure352
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
56 60 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (80)
80
> <Formula> (80)
C23H27FN2O3
> <MolWeight> (80)
398.4704832
> <Name> (80)
5ht1a
> <ID> (80)
24
> <all_id> (80)
dual_80
> <SOURCE> (80)
11814784
> <Target> (80)
serotonin reuptake inhibition
> <IC50> (80)
0
> <Ki> (80)
127.8
> <Year> (80)
2002
$$$$
Structure353
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
53 57 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (81)
81
> <Formula> (81)
C22H25N3O3
> <MolWeight> (81)
379.4522
> <Name> (81)
5ht1a
> <ID> (81)
25
> <all_id> (81)
dual_81
> <SOURCE> (81)
11814784
> <Target> (81)
serotonin reuptake inhibition
> <IC50> (81)
0
> <Ki> (81)
276
> <Year> (81)
2002
$$$$
Structure354
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
52 56 0 0 0 0 0 0 0 0999 V2000
-0.0269 1.5549 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5164 -0.2092 1.6090 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.1074 1.5621 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4602 2.2114 -1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1020 3.8852 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1295 4.0184 0.4364 C 0 0 2 0 0 0 0 0 0 0 0 0
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M END
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C23H25N3O
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11814784
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serotonin reuptake inhibition
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0
> <Ki> (82)
41.2
> <Year> (82)
2002
$$$$
Structure355
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
51 55 0 0 0 0 0 0 0 0999 V2000
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M END
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C22H24N4O
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360.45216
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5ht1a
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27
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dual_83
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11814784
> <Target> (83)
serotonin reuptake inhibition
> <IC50> (83)
0
> <Ki> (83)
175
> <Year> (83)
2002
$$$$
Structure356
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
53 57 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (84)
84
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C24H25N3O
> <MolWeight> (84)
371.4748
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5ht1a
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28
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dual_84
> <SOURCE> (84)
11814784
> <Target> (84)
serotonin reuptake inhibition
> <IC50> (84)
0
> <Ki> (84)
93.6
> <Year> (84)
2002
$$$$
Structure357
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
52 56 0 0 0 0 0 0 0 0999 V2000
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3.7508 3.3280 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.1300 4.0179 0.4389 C 0 0 2 0 0 0 0 0 0 0 0 0
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M END
> <Mol_ID> (85)
85
> <Formula> (85)
C23H24N4O
> <MolWeight> (85)
372.46286
> <Name> (85)
5ht1a
> <ID> (85)
29
> <all_id> (85)
dual_85
> <SOURCE> (85)
11814784
> <Target> (85)
serotonin reuptake inhibition
> <IC50> (85)
0
> <Ki> (85)
387
> <Year> (85)
2002
$$$$
Structure346
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
59 63 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (88)
88
> <Formula> (88)
C25H28N2O3S
> <MolWeight> (88)
436.56642
> <Name> (88)
5ht1a
> <ID> (88)
7
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dual_88
> <SOURCE> (88)
12749894
> <Target> (88)
serotonin reuptake inhibition
> <IC50> (88)
0
> <Ki> (88)
3.13
> <Year> (88)
2003
$$$$
Structure347
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
59 63 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (89)
89
> <Formula> (89)
C25H28N2O3S
> <MolWeight> (89)
436.56642
> <Name> (89)
5ht1a
> <ID> (89)
8
> <all_id> (89)
dual_89
> <SOURCE> (89)
12749894
> <Target> (89)
serotonin reuptake inhibition
> <IC50> (89)
0
> <Ki> (89)
6.13
> <Year> (89)
2003
$$$$
Structure364
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
65 69 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (90)
90
> <Formula> (90)
C27H32N2O3S
> <MolWeight> (90)
464.61958
> <Name> (90)
5ht1a
> <ID> (90)
9
> <all_id> (90)
dual_90
> <SOURCE> (90)
12749894
> <Target> (90)
serotonin reuptake inhibition
> <IC50> (90)
0
> <Ki> (90)
7.45
> <Year> (90)
2003
$$$$
Structure365
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
65 69 0 0 0 0 0 0 0 0999 V2000
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M END
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12749894
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serotonin reuptake inhibition
> <IC50> (91)
0
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19.85
> <Year> (91)
2003
$$$$
Structure366
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (92)
92
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C24H26N2O3S
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5ht1a
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11
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dual_92
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12749894
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serotonin reuptake inhibition
> <IC50> (92)
0
> <Ki> (92)
3.09
> <Year> (92)
2003
$$$$
Structure367
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
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M END
> <Mol_ID> (93)
93
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C24H26N2O3S
> <MolWeight> (93)
422.53984
> <Name> (93)
5ht1a
> <ID> (93)
12
> <all_id> (93)
dual_93
> <SOURCE> (93)
12749894
> <Target> (93)
serotonin reuptake inhibition
> <IC50> (93)
0
> <Ki> (93)
7.12
> <Year> (93)
2003
$$$$
Structure368
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
58 62 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (94)
94
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C25H28N2O2S
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420.56702
> <Name> (94)
5ht1a
> <ID> (94)
13
> <all_id> (94)
dual_94
> <SOURCE> (94)
12749894
> <Target> (94)
serotonin reuptake inhibition
> <IC50> (94)
0
> <Ki> (94)
6.28
> <Year> (94)
2003
$$$$
Structure371
Wcorina 01220710473D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
62 66 0 0 0 0 0 0 0 0999 V2000
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M END
> <Mol_ID> (97)
97
> <Formula> (97)
C26H30N2O3S
> <MolWeight> (97)
450.593
> <Name> (97)
5ht1a
> <ID> (97)
17
> <all_id> (97)
dual_97
> <SOURCE> (97)
12749894
> <Target> (97)
serotonin reuptake inhibition
> <IC50> (97)
0
> <Ki> (97)
6.07
> <Year> (97)
2003
$$$$