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[H:15][C@@:5]([C@@:4]([H:13])([C:3]([H:10])([H:11])[H:12])[S:25][H:14])([C:6]([H:16])([H:17])[H:18])[S:26][H:19].[H:8][N:21]1[C:2](=[N:22][C:1](=[N:20]1)[S:23][H:7])[S:24][H:9] | [
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[H:14][C:7]#[C:6][C:5]([F:16])([F:17])[Cl:19].[H:10][C:3]1([C:4]([C:2]1([C:1]([H:8])([H:9])[Cl:18])[F:15])([H:12])[H:13])[H:11] | [
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[H:9][C:1]#[C:2][C:3]#[C:4][C:5]#[N:12].[H:10][C:7]1=[N:13][C:8](=[N:14][C:6]1=[O:15])[H:11] | [
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[H:11][C:1]#[C:2][C:3]#[C:4][C:5]#[N:14].[H:12][C:8]#[C:7][C:6](=[O:15])[C:9]#[C:10][H:13] | [
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[H:15][C:5]1([C:4]([C:6]([S:23]1)([H:17])[H:18])([H:14])[C:3]([H:12])([H:13])[S:22][H:11])[H:16].[H:8][C:1]([H:9])([C:2]([H:10])([F:19])[F:20])[S:21][H:7] | [
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[H:14][C:7]#[C:6][C@:5]([H:13])([C:4]([H:11])([H:12])[F:16])[F:17].[H:10]/[C:3](=[C:2](\[C:1]([H:8])([H:9])[Cl:18])/[F:15])/[Cl:19] | [
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[H:9]/[C:2](=[N:16]/[S:17][C:1]([H:6])([H:7])[H:8])/[C:3]([H:10])([H:11])[Cl:21].[H:13][C:4]([H:14])([C:5](=[S:20])[S:19][H:15])[S:18][H:12] | [
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[H:9][C:1]#[C:2][C@:3]1([C:4]([C:5]([S:18]1)([H:13])[H:14])([H:11])[H:12])[H:10].[H:15][C:7](=[C:6]([C:8](=[S:19])[H:17])[Cl:20])[H:16] | [
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[H:6][C:2](=[S:10])[N:7]([H:5])[O:8][H:4].[H:3][C:1]([F:9])([Cl:11])[Cl:12] | [
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[H:10][C:3](=[C:4]([C:5]([H:11])([H:12])[Cl:17])[Cl:16])[C:2]([H:7])([H:8])[H:9].[H:6][C:1]([Cl:13])([Cl:14])[Cl:15] | [
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[H:8][C:3](=[C:2]([C:1]([H:5])([H:6])[H:7])[Cl:14])[Cl:15].[H:9][S:11][C:4](=[S:13])[S:12][H:10] | [
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[H:21][C:7]1=[C:6]([N:23]([N:25]=[N:24]1)[C@@:2]2([C:3]([C@:4]([N:22]([O:27]2)[C:1]([H:10])([H:11])[H:12])([H:16])[C:5]([H:17])([H:18])[O:28][H:19])([H:14])[H:15])[H:13])[H:20].[H:8][O:26][H:9] | [
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[H:15][C:5]1=[N:16][S:19][C:4]([S:18][C:3]([S:20]1)([H:11])[H:12])([H:13])[H:14].[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[Cl:21])[S:17][H:6] | [
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[H:6][C:2]([H:7])([C:1](=[N:9][H:5])[N:8]([H:4])[O:11][H:3])[F:12].[O:10]=[S:13] | [
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[H:10][C:2]([H:11])([C:3]([H:12])([H:13])[Cl:20])[Cl:19].[H:4][N:14]([H:5])[N:15]([H:6])[C:1](=[S:18])[N:16]([H:7])[N:17]([H:8])[H:9] | [
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[H+:5].[H:6][C:1](=[O:13])[N:10](/[C:2](=[N:11]\[H:7])/[C:3]#[N:12])[S-:15].[H:8][C:4]([H:9])([F:14])[Cl:16] | [
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[H:9][C-:2]([C:1]([H:7])([H:8])[S:14][H:6])[Cl:16].[H:10][C+:3]([C:4]([H:11])([H:12])[C:5]#[N:13])[Cl:17].[Cl:15][Cl:18] | [
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[H:20][C:6]#[C:7][H:21].[H:15][C@:4]([C:3]([H:13])([H:14])[N:25]([H:12])[C:2](=[O:26])[N:24]=[C:1]([N:22]([H:8])[H:9])[N:23]([H:10])[H:11])([C:5]([H:17])([H:18])[O:28][H:19])[O:27][H:16] | [
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[H:12][C:5]#[C:6][C:7]#[C:8][C:9]#[C:10][H:13].[H:11][C:3]#[C:2][C:1](=[O:15])[C:4]#[N:14] | [
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[H:11]/[C:3](=[N:16]/[S:20][H:10])/[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[Cl:21].[H:7][C:1]([H:8])([C:2](=[S:19])[S:18][H:9])[S:17][H:6] | [
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1.4976979494094849,
1.080245018005371,
1.5440399646759033,
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2.0325870513916016,
... | [
-891672.6875
] | [
0.2827270030975342,
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1.9818769693374634,
2.214816093444824,
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-2.5486838817596436,
... |
[H:8][C:3](=[S:11])[C:2]([H:6])([H:7])[C:1]([H:5])([Cl:14])[Cl:15].[H:10][C:4](=[S:13])[S:12][H:9] | [
-1.5076290369033813,
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0.126132994890213,
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... | [
-1425004.5
] | [
-1.7253518104553223,
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-7.84... |
[H:9][C:4](=[S:13])[C@:2]([H:6])([C:3]([H:7])([H:8])[Cl:16])[O:10][H:5].[C:1]([F:11])([F:12])([Cl:14])[Cl:15] | [
2.3401401042938232,
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0.2617669999599457,
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0.047401998192071915,
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0.01256799977272749,
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... | [
-1386228.25
] | [
4.169249534606934,
-14.326687812805176,
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2.391... |
[H:5]/[C:1](=[N:10]/[H:6])/[N:9]([H:4])[O:15][H:3].[H:7][N:11]1[C:2](=[O:16])[N:14]([N:13]=[N:12]1)[H:8] | [
3.0056591033935547,
-0.6931939721107483,
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0.7886369824409485,
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1.5445090532302856,
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3.165642023086548,
-1.6240359544754028,
-0.... | [
-350606.625
] | [
14.115707397460938,
21.088098526000977,
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25.225446701049805,
2.11916184425354,
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0.157460436... |
[H:6][C:2](=[O:8])[N:7]([H:5])[S:10][H:4].[H:3][C:1]([F:9])([Cl:11])[Cl:12] | [
1.3845089673995972,
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... | [
-1020915.375
] | [
32.15131378173828,
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-1.4... |
[H:8][C:3]#[C:2][C:1]([F:15])([F:16])[Cl:18].[H:13][C:7](=[C:6]([H:12])[C@@:5]([C:4]([H:9])([H:10])[H:11])([F:17])[Cl:19])[H:14] | [
-2.3471031188964844,
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1.1941169500350952,
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3.23888897895813,
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0.4031110107898712,
2.5556979179382324,
-0.010792000219225883,... | [
-935460.8125
] | [
-26.292539596557617,
1.7774271965026855,
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11.718037605285645,
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-21.0713... |
[H:5][C@@:1]1([C@:3]([C:2]1([H:6])[H:7])([H:8])[Cl:15])[Cl:14].[H:9][S:11][C:4](=[S:13])[S:12][H:10] | [
2.968061923980713,
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0.3363400101661682,
3.2682900428771973,
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0.2875030040740967,
0.203248992562294,
2.7348060607910156,
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1.3... | [
-1424992.375
] | [
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5.250418186187744,
4.349321365356445,
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13.550235748291016,
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19.486902236938477,
1.1083098649978638,
0.723537027835846,
-4.71660804... |
[H+:9].[H+:11].[H:10]/[C-:1]=[C:2](\[C:3](=[C:4](/[H:13])\[F:24])\[H:12])/[N-:22][N:23]([H:14])[H:15].[H:17][C:5]([H:18])([C:6]#[C:7][C:8]([H:19])([H:20])[S:26][H:21])[S:25][H:16] | [
-4.077085971832275,
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0.15400800108909607,
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0.6389359831809998,
0.5509539842605591,
2.917279005050659,
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1.... | [
-827092.6875
] | [
-7.088014125823975,
-75.53740692138672,
41.21482849121094,
67.80130767822266,
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16.91486358642578,
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15.990364074707031,
-35.51473617553711,
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37.471214294433594,
-23.5952568... |
[H:14][C:4](=[C:5]([F:18])[F:19])[Cl:20].[H:8][C@:1]([C:2]([H:9])([H:10])[O:16][H:11])([C:3]([H:12])([H:13])[F:17])[N:15]([H:6])[H:7] | [
-1.8883949518203735,
0.01597999967634678,
0.7783470153808594,
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1.095553994178772,
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1.3420590162277222,
0.07028999924659729,
-0.8067370057106018,
1.9389489889144897,
0.9820860028266907,
... | [
-681000.625
] | [
9.58869457244873,
-26.95738410949707,
-8.393452644348145,
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29.27640151977539,
28.211700439453125,
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162.76856994628906,
68.50735473632812,
14.122493743896484,
39.44774627685547,
-74.58085632324219,
-42.103511... |
[H:15][C:5](=[S:20])[C:4](=[S:19])[N:16]([H:13])[H:14].[H:9][C@:2]([C:1]([H:7])([H:8])[S:17][H:6])([C:3]([H:11])([H:12])[Cl:21])[S:18][H:10] | [
-2.818789005279541,
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2.3627500534057617,
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0.038777999579906464,
2.667807102203369,
0.7263739705085754,
0.... | [
-1445737.375
] | [
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7.146791458129883,
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29.33385467529297,
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68.5980224609375,
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60.398006439208984,
-25.65465545654297,
54.31813430786133,
56.1109... |
[H:17][C@:4]1([C:5]([C:6]([C:7]([N:32]([C:8]1([H:25])[H:26])[H:24])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])[C:3]2=[N:31][N:28]([N:29]=[N:30]2)[C:2]([H:15])([H:16])[C:1]([H:12])([H:13])[H:14].[H:9][N:27]([H:10])[H:11] | [
4.124329090118408,
-1.740686058998108,
-0.2182770073413849,
3.22965407371521,
-0.509660005569458,
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0.4169909954071045,
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0.427170991897583,
0.8271849751472473,
-2.5871999263763428,
-0.5730090141296387,
1.12... | [
-404172.46875
] | [
-66.57438659667969,
24.72039794921875,
27.24664878845215,
11.000089645385742,
-5.192895412445068,
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49.55662155151367,
22.750282287597656,
15.241188049316406,
4.591658115386963,
26.97394371032715,
-2.688671350479126,
22.55250358581... |
[H:19][C:9]#[C:8][C:7](=[S:24])[N:21]([H:18])[C:6](=[S:23])[H:17].[H:13][C:3]1=[C:2]([N:20]([C:5](=[C:4]1[S:22][H:14])[H:15])[H:16])[C:1]([H:10])([H:11])[H:12] | [
-4.875214099884033,
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0.7420729994773865,
-0.4695099890232086,
-1.4028429985046387,
-0.392134010791778... | [
-1037217.4375
] | [
-0.9908744096755981,
-0.35383832454681396,
1.1240077018737793,
2.184530258178711,
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3.508071184158325,
-8.270737648010254,
1.6697783470153809,
3.012125253677368,
-2.11... |
[H:9][C:3]#[C:2][C@:1]([H:8])([C:4]#[N:14])[Cl:18].[H:10][C:5](=[S:16])[C:6]([H:11])([H:12])[O:15][C:7](=[S:17])[H:13] | [
-1.9417370557785034,
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0.22499099373817444,
-1.5254249572753906,
-1.6006170511245728,
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-1.173442006111145,
-2.505790948867798,
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-3.374917984008789,
-0.5925840139389038,
0.539529025554657,
1.3576120138168335,
1.4767529964447021,
0.... | [
-1039601.0625
] | [
-29.43067741394043,
-9.786341667175293,
-4.752038955688477,
1.292223572731018,
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6.824270725250244,
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-4.642975330352783,
7.215505123138428,
-8.314799308776855,
3.7362232208251953,
-6.608232975... |
[H:6][C:1](=[S:12])[C:2](=[S:13])[C:3](=[S:14])[H:7].[H:11][C:5](=[S:16])[C:4]([H:9])([H:10])[S:15][H:8] | [
-1.697482943534851,
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-2.3160030841827393,
-0.000375000003259629,
0.3303540050983429,
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0.1915140002965927,
3.1637139320373535,
-0.6560570001602173,
0.21748599410057068,
2.1675000190734863,
-0.15617799758911133... | [
-1370856.25
] | [
-96.3131332397461,
22.323822021484375,
-0.03173257037997246,
81.44892883300781,
-24.815120697021484,
-14.42534065246582,
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10.729695320129395,
51.55125427246094,
31.364255905151367,
7.787876129150391,
-58.65616226196289,
47.96561813354492,
-29.287181854248047,
51.732078... |
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