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[H:10][C:5]#[C:4][C@:2]([H:8])([C:3](=[S:12])[H:9])[C:1]([H:6])([H:7])[F:11] | [
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[H:10][C:5]#[C:4][C:3](=[C:2]([C:1]([H:7])([H:8])[S:12][H:6])[F:11])[H:9] | [
-1.2099930047988892,
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2.513727903366089,
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3.819287061691284,
0.12969699501991272,... | [
-433868.4375
] | [
2.239955425262451,
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27.340784072875977,
-1.4933032989501953,
-262.4478759765625,
-56.764434814453125,
-19.54... |
[H:6][C:2]1=[C:1]([C:5]([C@:4]2([C@@:3]1([S:12]2)[H:7])[H:8])([H:9])[H:10])[F:11] | [
1.318789005279541,
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-0.7134739756584167,
0.723708987236023,
0.5799310207366943,
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0.... | [
-433936.84375
] | [
-23.609554290771484,
13.910079002380371,
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15.534642219543457,
25.579471588134766,
26.4770450592041,
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29.35053062438965,
-19.333738327026367,
7.307496547698975,
39.882102966308594,
15.302011489... |
[H:6][C:2]1=[C:1]([C:5]([C@:4]2([C@@:3]1([S:12]2)[H:7])[H:8])([H:9])[H:10])[F:11] | [
-1.306236982345581,
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0.7561960220336914,
0.6730989813804626,
0.6900650262832642,
-0.5486840009689331,
1.226472020149231,
... | [
-433939.96875
] | [
-32.923709869384766,
4.798766136169434,
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1.768996000289917,
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-17.101804733276367,
2.4377455711364746,
-11.616434097290039,
16.213788986206055,
0.87704867... |
[H:7][C:2]1=[C:3]([C:4]([C:5](=[S:12])[C@:1]1([H:6])[F:11])([H:9])[H:10])[H:8] | [
0.21852600574493408,
0.9032920002937317,
0.397940993309021,
1.6944860219955444,
0.6021329760551453,
0.016509000211954117,
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0.7612829804420471,
-1.4762519598007202,
-0.1889979988336563,
-0.405676007270813,
-0.5594239830970764,
... | [
-433878.15625
] | [
78.2878646850586,
-45.94571304321289,
-62.500282287597656,
69.98307800292969,
-4.015313148498535,
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-26.175262451171875,
-44.45026397705078,
117.4320297241211,
91.76932525634766,
-43.5483283996... |
[H:10][C:5]#[C:4]/[C:3](=[C:2](/[C:1]([H:7])([H:8])[S:12][H:6])\[F:11])/[H:9] | [
-1.2211389541625977,
-0.7893360257148743,
0.6708710193634033,
0.1359190046787262,
-0.05244800075888634,
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2.411569118499756,
-0.04502199962735176,
-0.28845301270484924,
3.7266929149627686,
0.06627000123262405... | [
-433870.90625
] | [
33.40030288696289,
89.90569305419922,
-14.503010749816895,
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333.13604736328125,
79.273193359375,
-22.6451473236084,
-159.96177673339844,
0.1702815294265747,
16.6788... |
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