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-13.9083700... |
[H:10][C:5]#[C:4][C@:2]([H:8])([C:3](=[S:12])[H:9])[C:1]([H:6])([H:7])[F:11] | [
-1.267657995223999,
1.3001680374145508,
0.11518199741840363,
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0.05815500020980835,
-0.34861698746681213,
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-1.1763269901275635,
-0.29260000586509705,
-1.979630947113037,
-2.068087100982666,
... | [
-433895.875
] | [
49.997562408447266,
-1.1182328462600708,
16.869070053100586,
8.269475936889648,
6.127516746520996,
9.001304626464844,
19.591896057128906,
16.619810104370117,
23.481048583984375,
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-24.89785385131836,
12.964177131652832,
2.8891971111297607,
-2.7159535884857178,
1.8108364... |
[H:10][C:5]#[C:4][C@:2]([H:8])([C:3](=[S:12])[H:9])[C:1]([H:6])([H:7])[F:11] | [
-0.7553380131721497,
1.492118000984192,
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0.00027799999224953353,
-0.4330739974975586,
0.602724015712738,
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0.4706299901008606,
-1.7687079906463623,
-0.6735460162162781,
-0.17150500416755676,
-2.861090898513794,
-1.1228090524673462,... | [
-433896.625
] | [
53.737998962402344,
-26.80882453918457,
33.2287712097168,
32.566654205322266,
22.36406707763672,
-8.302452087402344,
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9.120928764343262,
6.144821643829346,
-74.27339935302734,
-32.937156677246094,
16.126998901367188,
39.44221115112305,
15.401320457458496,
-20.92605018... |
[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] | [
-1.3015199899673462,
-0.14037799835205078,
0.09736599773168564,
-0.4086399972438812,
-1.1234029531478882,
0.49824899435043335,
0.9079610109329224,
-0.48184001445770264,
0.8872830271720886,
0.6302270293235779,
0.9673359990119934,
0.40664198994636536,
-0.8032000064849854,
1.2212640047073364,... | [
-433909.46875
] | [
49.18268585205078,
-61.456790924072266,
10.810210227966309,
-49.0968017578125,
-15.822112083435059,
39.017539978027344,
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5.216962814331055,
-21.052074432373047,
128.66648864746094,
15.497781753540039,
50.271297454833984,
-27.801483154296875,
87.45631408691406,
-15.810... |
[H:8][C:4](=[C:3]([C:5](=[S:12])[H:10])[C:1](=[C:2]([H:6])[H:7])[F:11])[H:9] | [
-1.0953869819641113,
-0.5228800177574158,
-0.011699999682605267,
-2.2571771144866943,
-0.7228559851646423,
0.5932220220565796,
-0.3640350103378296,
0.8203480243682861,
-0.03702099993824959,
-1.12663996219635,
1.911010980606079,
-0.25311601161956787,
1.0735050439834595,
0.8668720126152039,
... | [
-433921.4375
] | [
9.818400382995605,
25.52376365661621,
9.542308807373047,
10.148320198059082,
6.503530979156494,
-0.1591893583536148,
-46.71742248535156,
-27.67539405822754,
-22.96833610534668,
33.851905822753906,
-12.724575996398926,
21.788339614868164,
26.74226188659668,
23.187673568725586,
0.600802183... |
[H:9][C:4]1=[C:5]([S:12]/[C:2](=[C:1](\[H:6])/[F:11])/[C:3]1([H:7])[H:8])[H:10] | [
-1.708022952079773,
-0.5961380004882812,
-0.005758999846875668,
-0.45895200967788696,
-0.14739499986171722,
0.0029180001001805067,
-0.08569200336933136,
1.3115819692611694,
0.0004360000020824373,
1.4133470058441162,
1.3633689880371094,
-0.0015829999465495348,
2.042414903640747,
0.177819997... | [
-433942.84375
] | [
16.19620132446289,
-1.5869890451431274,
2.535022020339966,
-8.371443748474121,
-6.276452541351318,
-2.8690927028656006,
-4.425078392028809,
9.555562019348145,
-2.4663357734680176,
13.681663513183594,
-11.591364860534668,
-0.802445113658905,
-0.8875917792320251,
14.90433120727539,
-2.1097... |
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