smiles stringlengths 10 765 | coords listlengths 6 330 | energy listlengths 1 1 | forces listlengths 6 330 |
|---|---|---|---|
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
2.8713629245758057,
5.417864799499512,
-2.617682933807373,
-4.265085220336914,
-2.221343994140625,
0.5759360194206238,
-2.5647730827331543,
-3.333760976791382,
-0.5396699905395508,
2.579188108444214,
-1.823712944984436,
3.9261679649353027,
1.4656939506530762,
0.9917110204696655,
-0.00257... | [
-972374.25
] | [
26.13797378540039,
39.25918960571289,
-16.360641479492188,
29.823740005493164,
28.85833168029785,
6.92817497253418,
-20.735031127929688,
-10.052796363830566,
-13.05269718170166,
65.71029663085938,
-4.4970221519470215,
-27.60887336730957,
-14.821268081665039,
-10.648900985717773,
67.45157... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
5.82467794418335,
3.1736059188842773,
1.571336030960083,
-4.9631571769714355,
2.2967469692230225,
0.5896540284156799,
-3.468018054962158,
2.703463077545166,
-1.1992069482803345,
-1.8914530277252197,
-3.245781898498535,
-1.428257942199707,
1.2314260005950928,
0.9363219738006592,
-0.073950... | [
-972338.0625
] | [
63.36285400390625,
17.777206420898438,
56.62565231323242,
-57.42427062988281,
33.60359573364258,
9.545761108398438,
-30.684350967407227,
-2.804392099380493,
31.494382858276367,
20.896671295166016,
-38.9053840637207,
89.89926147460938,
-2.408071756362915,
-11.622570037841797,
15.049427986... |
[H:39][C:18]1([C@:21]([N:10]([C:14]([C:16]1([H:35])[H:36])([H:31])[H:32])[C:8](=[O:1])[C:12]([H:26])([H:27])[H:28])([C:9](=[O:2])[O:5][C:11]([H:23])([H:24])[H:25])[S:7][S:6][C:13]([H:29])([H:30])[C:15]([H:33])([H:34])[C:17]([H:37])([H:38])[C:20]([H:44])([H:45])[S:22](=[O:3])(=[O:4])[C:19]([H:41])([H:42])[H:43])[H:40] | [
2.2840819358825684,
-0.6450650095939636,
2.149066925048828,
5.010589122772217,
0.8369140028953552,
-0.14652599394321442,
-1.7131760120391846,
2.8529539108276367,
2.255676031112671,
-2.9863510131835938,
2.8540399074554443,
0.23444999754428864,
4.996341228485107,
-1.4091819524765015,
-0.24... | [
-1339465.5
] | [
26.88075065612793,
92.70928955078125,
-27.307085037231445,
-2.613909959793091,
-11.554508209228516,
-13.819892883300781,
-27.69639015197754,
-21.249507904052734,
23.078739166259766,
-34.82164001464844,
-45.70453643798828,
75.86754608154297,
-48.440025329589844,
-2.3873612880706787,
-11.8... |
[H:31][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:19]([H:40])([H:41])[H:42])[F:5])[H:30])[N:17]([H:36])[S:28](=[O:3])(=[O:4])[C:25]([H:56])([H:57])[C:22]([H:49])([H:50])[N:15]([H:33])[H:34])[H:29].[H:59][C@@:27]([C:7](=[O:2])[N:14]([H:32])[C:20]([H:43])([H:44])[H:45])([C@@:26]([H:58])([C:23]([H:51])([H:52])[H:53])[C:24]... | [
-1.401535987854004,
-4.275778770446777,
-4.498927116394043,
3.369075059890747,
-2.224742889404297,
-3.9136569499969482,
-3.838228940963745,
1.7617440223693848,
2.062129020690918,
-3.954875946044922,
4.166571140289307,
1.6290340423583984,
2.8246970176696777,
2.350956916809082,
1.562468051... | [
-1080908.875
] | [
-5.868961334228516,
-4.7917046546936035,
1.6972360610961914,
-3.945634603500366,
8.747873306274414,
1.2469300031661987,
24.05631446838379,
32.45332336425781,
33.359195709228516,
20.771596908569336,
-13.071060180664062,
37.341468811035156,
-7.52542781829834,
-8.646791458129883,
4.75186014... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
6.05617094039917,
0.24863600730895996,
3.270343065261841,
-1.1142829656600952,
1.38099205493927,
-4.877073764801025,
-1.3110979795455933,
3.0780699253082275,
-3.292962074279785,
-3.9387009143829346,
-1.555145025253296,
0.2813259959220886,
1.0621440410614014,
0.08690900355577469,
0.714762... | [
-972364.3125
] | [
-36.386234283447266,
-37.79583740234375,
-60.25732421875,
-10.308429718017578,
27.48519515991211,
-11.84969711303711,
-24.088830947875977,
70.41093444824219,
-33.47718048095703,
-0.910688042640686,
1.2857441902160645,
-56.97066116333008,
20.533435821533203,
-20.86039161682129,
22.3356437... |
[H:39][C:18]1([C@:21]([N:10]([C:14]([C:16]1([H:35])[H:36])([H:31])[H:32])[C:8](=[O:1])[C:12]([H:26])([H:27])[H:28])([C:9](=[O:2])[O:5][C:11]([H:23])([H:24])[H:25])[S:7][S:6][C:13]([H:29])([H:30])[C:15]([H:33])([H:34])[C:17]([H:37])([H:38])[C:20]([H:44])([H:45])[S:22](=[O:3])(=[O:4])[C:19]([H:41])([H:42])[H:43])[H:40] | [
-1.043544054031372,
1.368330955505371,
1.795644998550415,
-1.076024055480957,
0.34709998965263367,
-3.75435209274292,
2.715419054031372,
-0.12173400074243546,
5.177072048187256,
1.0575050115585327,
-1.4928979873657227,
3.995074987411499,
-2.516256093978882,
0.3876439929008484,
-1.9814829... | [
-1339470.25
] | [
-18.141889572143555,
-8.194676399230957,
-76.98045349121094,
-19.5545654296875,
13.784806251525879,
27.371246337890625,
31.819671630859375,
11.257219314575195,
40.20876693725586,
21.30907440185547,
92.02688598632812,
0.020550278946757317,
50.58684539794922,
14.652962684631348,
8.21115398... |
[H:39][C:18]1([C@:21]([N:10]([C:14]([C:16]1([H:35])[H:36])([H:31])[H:32])[C:8](=[O:1])[C:12]([H:26])([H:27])[H:28])([C:9](=[O:2])[O:5][C:11]([H:23])([H:24])[H:25])[S:7][S:6][C:13]([H:29])([H:30])[C:15]([H:33])([H:34])[C:17]([H:37])([H:38])[C:20]([H:44])([H:45])[S:22](=[O:3])(=[O:4])[C:19]([H:41])([H:42])[H:43])[H:40] | [
-0.2377309948205948,
1.1336699724197388,
-0.8149470090866089,
-2.7135510444641113,
-0.8261010050773621,
0.003998999949544668,
5.1427178382873535,
-1.3135559558868408,
-1.6769939661026,
4.96371603012085,
-1.0468380451202393,
0.6818069815635681,
-0.9697309732437134,
-2.1358580589294434,
0.... | [
-1339479.375
] | [
4.851452350616455,
-14.40276050567627,
-4.809743404388428,
31.390079498291016,
-10.706247329711914,
-4.522186756134033,
1.2607115507125854,
-9.898540496826172,
-36.05618667602539,
-19.332733154296875,
21.33640480041504,
5.605319023132324,
55.924015045166016,
5.9899983406066895,
38.740974... |
[H:39][C:18]1([C@:21]([N:10]([C:14]([C:16]1([H:35])[H:36])([H:31])[H:32])[C:8](=[O:1])[C:12]([H:26])([H:27])[H:28])([C:9](=[O:2])[O:5][C:11]([H:23])([H:24])[H:25])[S:7][S:6][C:13]([H:29])([H:30])[C:15]([H:33])([H:34])[C:17]([H:37])([H:38])[C:20]([H:44])([H:45])[S:22](=[O:3])(=[O:4])[C:19]([H:41])([H:42])[H:43])[H:40] | [
0.011102000251412392,
1.021867036819458,
0.4799889922142029,
1.4634590148925781,
0.546330988407135,
3.8369829654693604,
-3.1035029888153076,
-2.4732840061187744,
-3.325263023376465,
-3.785101890563965,
-1.7652419805526733,
-1.1181670427322388,
0.2667810022830963,
2.412264108657837,
3.178... | [
-1339521.75
] | [
20.884891510009766,
21.53797721862793,
6.846693515777588,
-24.574188232421875,
52.65989303588867,
-39.47417068481445,
40.08024215698242,
-1.5931113958358765,
25.679170608520508,
55.175010681152344,
-6.656668186187744,
-2.985694646835327,
31.232337951660156,
-27.155948638916016,
-23.59856... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
-2.6540820598602295,
0.3571299910545349,
-4.884850978851318,
1.3608900308609009,
-0.8822950124740601,
6.732107162475586,
1.4377349615097046,
1.4589990377426147,
6.451488018035889,
4.130768775939941,
1.737023949623108,
2.231084108352661,
-0.5439329743385315,
-0.46233299374580383,
0.106971... | [
-972366.625
] | [
-0.23996630311012268,
28.90462875366211,
-43.54572296142578,
13.316985130310059,
34.35895538330078,
31.731534957885742,
-4.265589237213135,
-2.9089269638061523,
8.843719482421875,
-13.567037582397461,
29.761770248413086,
-23.541969299316406,
13.193148612976074,
20.807804107666016,
5.0353... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
4.912442207336426,
3.2110800743103027,
0.1827390044927597,
-1.1457819938659668,
2.506493091583252,
-2.522979974746704,
0.17625699937343597,
0.6671040058135986,
-2.9365038871765137,
-1.989274024963379,
-3.676326036453247,
2.2915680408477783,
0.3189319968223572,
1.4173760414123535,
2.30325... | [
-972366.0625
] | [
65.52090454101562,
2.0679616928100586,
-18.339611053466797,
-15.820634841918945,
6.863973140716553,
25.915176391601562,
3.9046263694763184,
13.193032264709473,
14.026753425598145,
1.25288987159729,
11.4033784866333,
6.390442848205566,
-39.17783737182617,
1.489103078842163,
-2.41013979911... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
1.7381470203399658,
6.185766220092773,
-2.777498960494995,
1.7845309972763062,
-5.187212944030762,
2.984602928161621,
2.5603010654449463,
-3.147080898284912,
3.990760087966919,
-3.003293991088867,
-0.9044560194015503,
0.9646829962730408,
0.9541130065917969,
1.895527958869934,
0.635428011... | [
-972363
] | [
-28.299299240112305,
9.337952613830566,
14.325420379638672,
13.882609367370605,
-25.313846588134766,
19.058916091918945,
-39.27378463745117,
-47.19524383544922,
-38.11705780029297,
-20.17401885986328,
-34.860626220703125,
-10.732295989990234,
-9.023218154907227,
-28.64406967163086,
23.40... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
5.816381931304932,
3.4942779541015625,
2.761918067932129,
-4.6991119384765625,
0.3001199960708618,
-3.023535966873169,
-2.950061082839966,
-0.9166430234909058,
-3.9501678943634033,
0.9368770122528076,
-3.154505968093872,
0.8637599945068359,
1.4770549535751343,
1.2591619491577148,
-0.0326... | [
-972366.75
] | [
-5.205203056335449,
-17.674789428710938,
-8.059135437011719,
15.734034538269043,
-8.252310752868652,
15.491081237792969,
-21.41116714477539,
-1.7502729892730713,
9.339216232299805,
-31.988361358642578,
-36.35879135131836,
-15.850332260131836,
46.05094909667969,
9.931988716125488,
-28.954... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
1.8759000301361084,
0.5829190015792847,
5.714733123779297,
3.3223249912261963,
0.8464540243148804,
-4.003738880157471,
1.1071430444717407,
0.9510189890861511,
-4.799229145050049,
-1.9321880340576172,
-1.5413919687271118,
-1.7875889539718628,
-0.6175739765167236,
2.6638500690460205,
1.092... | [
-972367.375
] | [
-10.172087669372559,
48.2804069519043,
-27.588123321533203,
-13.134317398071289,
-2.9789187908172607,
14.544658660888672,
24.52281379699707,
-8.693940162658691,
16.972511291503906,
-10.595423698425293,
-6.491565227508545,
20.391862869262695,
-11.786478042602539,
-16.113243103027344,
-4.9... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
2.4882030487060547,
3.870582103729248,
5.136526107788086,
-1.028844952583313,
-4.0133280754089355,
-4.3336992263793945,
-2.588578939437866,
-3.2995290756225586,
-2.7545320987701416,
-1.301224946975708,
-0.6181319952011108,
1.1823320388793945,
1.6915810108184814,
2.563271999359131,
-0.160... | [
-972418.6875
] | [
11.153976440429688,
-1.2214027643203735,
-8.271005630493164,
-0.5167879462242126,
-5.393739223480225,
-7.551597595214844,
-10.554634094238281,
-18.17641830444336,
-18.66490936279297,
3.9776017665863037,
21.418088912963867,
-15.731151580810547,
7.091422080993652,
-9.750317573547363,
-5.66... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
6.2687177658081055,
2.9497580528259277,
0.6544259786605835,
-5.52629280090332,
1.0691479444503784,
0.2846049964427948,
-4.235472202301025,
1.1273809671401978,
-1.635414958000183,
-1.3176610469818115,
-3.036699056625366,
-0.7072929739952087,
0.9735749959945679,
1.3840739727020264,
0.23227... | [
-972418.0625
] | [
-3.2168774604797363,
3.603827476501465,
-6.352525234222412,
-18.481870651245117,
-2.4080753326416016,
-2.9344658851623535,
-22.961849212646484,
11.362235069274902,
-2.3035712242126465,
-6.080693244934082,
-5.5990118980407715,
-6.779285430908203,
-15.550251007080078,
10.269082069396973,
-... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
1.3534059524536133,
-1.9451309442520142,
6.470028877258301,
-1.9856129884719849,
4.693604946136475,
-4.049499988555908,
0.26349300146102905,
4.910293102264404,
-3.484652042388916,
0.049869999289512634,
-1.5551869869232178,
-2.217339038848877,
1.6641329526901245,
1.1227669715881348,
1.788... | [
-972367.4375
] | [
16.10468292236328,
25.627620697021484,
-26.779417037963867,
5.90136194229126,
-20.131011962890625,
28.476320266723633,
11.56723403930664,
43.27401351928711,
-4.101057529449463,
1.142625093460083,
5.463179588317871,
11.963339805603027,
8.193699836730957,
3.194106101989746,
7.1364808082580... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
0.39965900778770447,
-0.0421920008957386,
6.690781116485596,
1.5301159620285034,
4.964033126831055,
-2.4143869876861572,
3.194746971130371,
3.6317660808563232,
-3.275973081588745,
-1.6475160121917725,
-0.6781589984893799,
-2.017354965209961,
-0.03273899853229523,
0.6036859750747681,
1.19... | [
-972361.125
] | [
-28.277324676513672,
22.940515518188477,
-8.509519577026367,
22.290239334106445,
59.26042556762695,
-24.767858505249023,
12.32282543182373,
-15.035384178161621,
-22.11646842956543,
-7.955538272857666,
-16.43333625793457,
3.231818914413452,
-3.492400646209717,
30.382469177246094,
24.21018... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
4.632713794708252,
-3.7061569690704346,
0.10131999850273132,
0.428276002407074,
4.613265037536621,
4.622797966003418,
1.5762319564819336,
5.014737129211426,
2.621412992477417,
-2.969573974609375,
1.234231948852539,
-1.4961780309677124,
-0.5335400104522705,
-1.9354850053787231,
-0.8872249... | [
-972421.5625
] | [
-14.46566390991211,
11.1998872756958,
-8.040397644042969,
5.12597131729126,
3.769601821899414,
6.05996036529541,
-11.763251304626465,
1.2845975160598755,
33.23185729980469,
-3.1838014125823975,
-13.50726318359375,
-1.0781995058059692,
-4.587607383728027,
-3.4798617362976074,
-8.065546989... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
-0.33992999792099,
-3.178152084350586,
2.9954121112823486,
-1.7135790586471558,
1.9650830030441284,
3.2286040782928467,
0.30572399497032166,
1.198984980583191,
3.7557289600372314,
3.211590051651001,
3.7583110332489014,
-0.0031109999399632215,
-0.43118900060653687,
-0.18583199381828308,
-... | [
-972363.0625
] | [
-40.913543701171875,
7.770997047424316,
-42.441558837890625,
-63.26272201538086,
0.09077222645282745,
29.45472526550293,
16.456573486328125,
-9.57522964477539,
-33.44060516357422,
16.168088912963867,
19.11198616027832,
25.87380599975586,
-42.39215850830078,
39.65293884277344,
-16.6617240... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
4.936431884765625,
-3.816356897354126,
-0.5578579902648926,
0.013129999861121178,
5.651090145111084,
3.927988052368164,
1.4203929901123047,
5.25641393661499,
2.1660211086273193,
-2.5997140407562256,
0.60978102684021,
-1.3322319984436035,
-0.33903300762176514,
-2.2533140182495117,
0.30741... | [
-972359.9375
] | [
-7.848869800567627,
32.62007522583008,
-1.983993649482727,
7.153696537017822,
30.162519454956055,
22.150941848754883,
21.513660430908203,
5.454294204711914,
1.8804121017456055,
-24.733234405517578,
-18.178953170776367,
-6.9580183029174805,
30.65363121032715,
27.496868133544922,
-2.630108... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
1.7833590507507324,
5.896492004394531,
-2.8264191150665283,
2.2867441177368164,
-4.909235000610352,
1.6877830028533936,
2.7209689617156982,
-3.434739112854004,
3.4495689868927,
-3.019063949584961,
-1.1501810550689697,
1.7690149545669556,
1.200835943222046,
1.5922080278396606,
0.641378998... | [
-972418.5625
] | [
9.046499252319336,
12.235336303710938,
-13.915032386779785,
17.34053611755371,
-15.003402709960938,
8.468503952026367,
11.77569580078125,
-18.03828239440918,
-5.626251220703125,
0.4046056866645813,
4.48903226852417,
-12.987905502319336,
4.68746280670166,
9.213584899902344,
0.517361879348... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
0.20214200019836426,
-2.9693679809570312,
3.293478012084961,
-2.389604091644287,
2.00370192527771,
2.7979629039764404,
-0.2869339883327484,
1.3964120149612427,
3.579888105392456,
2.737945079803467,
3.909698963165283,
-0.055615998804569244,
-0.18050099909305573,
-0.5232759714126587,
-1.70... | [
-972419.875
] | [
14.001111030578613,
14.522534370422363,
0.10311780869960785,
9.071510314941406,
-6.427746295928955,
13.552115440368652,
2.8519256114959717,
-1.749951720237732,
19.776599884033203,
0.9761619567871094,
-1.4489558935165405,
-12.481977462768555,
-17.024181365966797,
-9.904762268066406,
9.556... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
-2.453995943069458,
-3.177109956741333,
3.9003560543060303,
4.511085033416748,
-1.3317309617996216,
-1.4163180589675903,
4.738654136657715,
0.12407299876213074,
0.4039520025253296,
0.46844300627708435,
5.146927833557129,
-0.3921850025653839,
-2.1536569595336914,
1.2238479852676392,
0.627... | [
-972419.1875
] | [
-11.6077241897583,
22.393896102905273,
-5.905659198760986,
35.52340316772461,
-27.30425262451172,
12.797077178955078,
-6.4543137550354,
-13.603967666625977,
-8.46231460571289,
-29.644041061401367,
20.41041374206543,
14.176373481750488,
-3.067019462585449,
3.3640177249908447,
-3.075054407... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
-0.068231001496315,
-1.2685480117797852,
-4.452607154846191,
2.8069369792938232,
-1.5641160011291504,
4.894948959350586,
2.8600430488586426,
-1.9583569765090942,
2.470973014831543,
0.4073219895362854,
4.8627519607543945,
1.1164560317993164,
-1.085988998413086,
0.01667499914765358,
0.7892... | [
-972356.4375
] | [
-13.728666305541992,
-22.855886459350586,
-9.653966903686523,
12.3268461227417,
-49.09709167480469,
-58.90986633300781,
8.936867713928223,
-29.729442596435547,
59.12697982788086,
-55.925376892089844,
-16.414522171020508,
-1.5828220844268799,
6.410882949829102,
16.03793716430664,
-7.84472... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
1.1602510213851929,
0.9987379908561707,
6.820824146270752,
-1.3280320167541504,
-3.6431469917297363,
-3.137573003768921,
0.9729689955711365,
-3.3514978885650635,
-2.7072579860687256,
0.9499080181121826,
2.135283946990967,
-4.039844989776611,
0.0027020000852644444,
1.9874000549316406,
1.5... | [
-972413.25
] | [
-1.237882137298584,
-5.222317695617676,
6.242483139038086,
36.07539749145508,
4.756043434143066,
8.384732246398926,
6.594311714172363,
-10.899538040161133,
0.5725618004798889,
-0.5145692229270935,
-0.09536135941743851,
18.616140365600586,
-2.995543956756592,
6.818548202514648,
2.05848336... |
[H:39][C:18]1([C@:21]([N:10]([C:14]([C:16]1([H:35])[H:36])([H:31])[H:32])[C:8](=[O:1])[C:12]([H:26])([H:27])[H:28])([C:9](=[O:2])[O:5][C:11]([H:23])([H:24])[H:25])[S:7][S:6][C:13]([H:29])([H:30])[C:15]([H:33])([H:34])[C:17]([H:37])([H:38])[C:20]([H:44])([H:45])[S:22](=[O:3])(=[O:4])[C:19]([H:41])([H:42])[H:43])[H:40] | [
-0.4806840121746063,
-1.0587379932403564,
-0.7250350117683411,
2.0671379566192627,
-1.7117639780044556,
-3.33016300201416,
-3.9306230545043945,
4.9433770179748535,
0.5485739707946777,
-3.8985118865966797,
3.796686887741089,
2.534712076187134,
1.5330950021743774,
-3.3613500595092773,
-1.9... | [
-1339469.25
] | [
5.64316463470459,
-0.5144281387329102,
-2.5304946899414062,
-12.255783081054688,
-9.814918518066406,
29.98082160949707,
26.94485092163086,
33.410587310791016,
-17.924768447875977,
29.71184730529785,
2.752002477645874,
48.68339157104492,
-1.7141351699829102,
-49.43111038208008,
11.3368396... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
6.54518985748291,
3.249664068222046,
0.3751260042190552,
-5.952479839324951,
-0.29874101281166077,
-0.9734399914741516,
-5.207211017608643,
1.081961989402771,
0.7926939725875854,
-1.839468002319336,
-2.3203001022338867,
2.92449688911438,
2.2409069538116455,
-0.2817150056362152,
-0.187889... | [
-972366.4375
] | [
-29.682132720947266,
17.734783172607422,
-26.875282287597656,
-18.395673751831055,
16.396400451660156,
3.697557210922241,
-15.434876441955566,
-32.69279479980469,
-34.179569244384766,
47.38551712036133,
7.9653401374816895,
11.985677719116211,
-41.914146423339844,
8.809377670288086,
-20.0... |
[H:39][C:18]1([C@:21]([N:10]([C:14]([C:16]1([H:35])[H:36])([H:31])[H:32])[C:8](=[O:1])[C:12]([H:26])([H:27])[H:28])([C:9](=[O:2])[O:5][C:11]([H:23])([H:24])[H:25])[S:7][S:6][C:13]([H:29])([H:30])[C:15]([H:33])([H:34])[C:17]([H:37])([H:38])[C:20]([H:44])([H:45])[S:22](=[O:3])(=[O:4])[C:19]([H:41])([H:42])[H:43])[H:40] | [
3.685534954071045,
2.6645851135253906,
-1.9702249765396118,
0.15487399697303772,
1.983502984046936,
0.058058999478816986,
-3.893273115158081,
-2.6095380783081055,
-1.9526360034942627,
-1.6005630493164062,
-1.6977529525756836,
-2.5139529705047607,
-0.19132199883460999,
1.6888749599456787,
... | [
-1339461.375
] | [
-7.067775726318359,
-20.981332778930664,
58.21221160888672,
21.3179931640625,
-1.5670945644378662,
128.8112335205078,
55.112667083740234,
49.95781326293945,
45.3447265625,
-49.15382385253906,
-8.32365608215332,
53.96281814575195,
62.6244010925293,
7.624232769012451,
0.1500217765569687,
... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
0.7370089888572693,
0.7453420162200928,
6.049476146697998,
5.066997051239014,
0.43882501125335693,
-1.319700002670288,
4.160868167877197,
-1.5602840185165405,
-2.0008270740509033,
-2.692312002182007,
0.4306280016899109,
-2.611362934112549,
-0.8111519813537598,
1.8061959743499756,
0.91364... | [
-972357.8125
] | [
47.42072677612305,
64.01622009277344,
-19.51143455505371,
33.121578216552734,
17.1667537689209,
8.485738754272461,
24.475778579711914,
14.568422317504883,
-3.3091676235198975,
-15.056425094604492,
0.12419459223747253,
35.4776725769043,
8.514010429382324,
13.753725051879883,
-31.062160491... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
-5.5852370262146,
2.4376940727233887,
0.25283101201057434,
4.650063991546631,
-2.1001429557800293,
4.049084186553955,
4.870975017547607,
0.19911199808120728,
3.7780630588531494,
3.9919140338897705,
1.31522798538208,
-1.29128098487854,
-0.6597959995269775,
0.014037000015377998,
0.44688498... | [
-972424
] | [
-11.639795303344727,
0.7867068648338318,
-13.734208106994629,
5.348402500152588,
6.0652337074279785,
2.1967215538024902,
-3.5343739986419678,
-2.378786563873291,
-19.32374382019043,
13.749950408935547,
-4.671477794647217,
3.1528420448303223,
-9.828788757324219,
-18.94545555114746,
-10.52... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
1.2401319742202759,
0.2444780021905899,
5.976174831390381,
4.91332483291626,
0.2183769941329956,
-1.6410720348358154,
3.844904899597168,
-1.8617459535598755,
-1.8634129762649536,
-2.9435360431671143,
1.061655044555664,
-2.486423969268799,
-0.285055011510849,
1.9076969623565674,
0.8832539... | [
-972415.4375
] | [
-18.95758628845215,
8.922612190246582,
-4.354752063751221,
-9.425345420837402,
-19.09033203125,
-8.196252822875977,
21.018217086791992,
-20.970518112182617,
-2.344026565551758,
11.154844284057617,
-15.265095710754395,
15.093243598937988,
25.68415069580078,
18.93117904663086,
-28.75476455... |
[H:39][C:18]1([C@:21]([N:10]([C:14]([C:16]1([H:35])[H:36])([H:31])[H:32])[C:8](=[O:1])[C:12]([H:26])([H:27])[H:28])([C:9](=[O:2])[O:5][C:11]([H:23])([H:24])[H:25])[S:7][S:6][C:13]([H:29])([H:30])[C:15]([H:33])([H:34])[C:17]([H:37])([H:38])[C:20]([H:44])([H:45])[S:22](=[O:3])(=[O:4])[C:19]([H:41])([H:42])[H:43])[H:40] | [
-0.5980520248413086,
-0.25394299626350403,
0.15205800533294678,
-2.754610061645508,
1.0537580251693726,
-1.6730810403823853,
4.124470233917236,
-1.5130959749221802,
0.255746990442276,
5.27606201171875,
-2.729789972305298,
2.010432004928589,
-3.357404947280884,
2.0215001106262207,
0.16740... | [
-1339479.25
] | [
-46.84524154663086,
0.6423628330230713,
48.10287094116211,
19.591106414794922,
-0.26545315980911255,
-18.87983512878418,
-44.143898010253906,
-26.847177505493164,
50.8580436706543,
-61.47859191894531,
-6.01633882522583,
-6.830327033996582,
-52.50564193725586,
12.297969818115234,
55.82028... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
2.3128509521484375,
3.761600971221924,
4.608549118041992,
-0.5655080080032349,
-4.566709041595459,
-3.3777248859405518,
-2.293389081954956,
-3.8385350704193115,
-2.064305067062378,
-0.7204620242118835,
-0.6971369981765747,
1.60520601272583,
0.9350200295448303,
3.029731035232544,
-0.90428... | [
-972357.0625
] | [
-29.23435401916504,
0.7237160801887512,
-5.659627437591553,
12.035823822021484,
-7.609596252441406,
-13.628775596618652,
8.891151428222656,
-38.40749740600586,
-0.07208605855703354,
-1.9637658596038818,
3.21311616897583,
52.621376037597656,
-11.107659339904785,
12.383260726928711,
71.110... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
4.079019069671631,
0.8743249773979187,
-4.717907905578613,
-2.927588939666748,
-2.542681932449341,
4.373808860778809,
-3.9735310077667236,
-1.108327031135559,
2.8506979942321777,
0.5756400227546692,
4.005862236022949,
2.1727499961853027,
1.6449910402297974,
-0.06601600348949432,
0.211305... | [
-972418.25
] | [
1.762054204940796,
-7.357255935668945,
3.4113924503326416,
-3.775705099105835,
2.6736340522766113,
-3.992002487182617,
2.4108288288116455,
-11.52839469909668,
9.465070724487305,
12.099535942077637,
12.33980941772461,
-6.057161808013916,
5.819657325744629,
-0.0445738285779953,
12.86136627... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
3.1904869079589844,
5.269354820251465,
-2.889380931854248,
-4.530386924743652,
-2.500680923461914,
1.5389519929885864,
-3.1339709758758545,
-3.309752941131592,
-0.14395000040531158,
2.93802809715271,
-1.2496860027313232,
3.192650079727173,
1.0406759977340698,
0.828540027141571,
-0.320870... | [
-972419.5
] | [
-11.262635231018066,
9.377946853637695,
14.895848274230957,
-16.065757751464844,
-21.029348373413086,
-15.889734268188477,
7.930302619934082,
4.737766742706299,
-3.283658266067505,
4.55058479309082,
8.716479301452637,
11.4774751663208,
-2.5895793437957764,
-4.645828723907471,
-19.9231948... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
-1.09414803981781,
-4.226889133453369,
3.5756640434265137,
-2.700716972351074,
3.8728199005126953,
1.0326969623565674,
-0.8297230005264282,
4.432877063751221,
2.2849490642547607,
3.9368209838867188,
2.209872007369995,
-2.651603937149048,
2.3659400939941406,
-1.5437430143356323,
0.1470409... | [
-972413.6875
] | [
21.457292556762695,
6.128303050994873,
-16.023767471313477,
-7.587184429168701,
3.7510945796966553,
4.129784107208252,
4.7068023681640625,
-7.737159729003906,
2.9976940155029297,
-0.6237323880195618,
-26.322166442871094,
-15.230805397033691,
23.410646438598633,
-7.321321964263916,
-12.83... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
0.9725959897041321,
-1.738577961921692,
-3.8372089862823486,
2.0256149768829346,
-2.07338809967041,
4.342809200286865,
2.824213981628418,
-1.7713149785995483,
2.16054105758667,
0.4415479898452759,
4.796695232391357,
1.0703539848327637,
-1.5575419664382935,
-0.01621999964118004,
0.8277069... | [
-972419.375
] | [
4.810001850128174,
-15.212845802307129,
1.433038592338562,
8.38901424407959,
-8.927079200744629,
-8.553009033203125,
12.664134979248047,
-27.04788589477539,
17.54286003112793,
-5.203695774078369,
30.587068557739258,
2.2781922817230225,
-0.17929376661777496,
-10.780868530273438,
-8.656335... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
1.0049760341644287,
-1.2917989492416382,
6.517230033874512,
-1.9254590272903442,
4.623141765594482,
-3.350878953933716,
0.2065500020980835,
5.100449085235596,
-2.481684923171997,
0.7536659836769104,
-1.5710890293121338,
-3.123934030532837,
1.2950760126113892,
1.0075310468673706,
1.469357... | [
-972419.1875
] | [
-10.463447570800781,
6.867982387542725,
-12.958080291748047,
16.182621002197266,
2.197946548461914,
6.769445419311523,
-12.98488998413086,
6.0976409912109375,
-3.6125125885009766,
-23.96432113647461,
-2.719928503036499,
1.675796389579773,
14.204854965209961,
3.0244081020355225,
0.7594898... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
0.18849900364875793,
-3.5187249183654785,
4.376239776611328,
-1.7182849645614624,
4.455843925476074,
2.160125970840454,
0.6132100224494934,
4.765346050262451,
2.28079891204834,
1.44028902053833,
1.2970850467681885,
-4.155663967132568,
2.6843559741973877,
-1.3423160314559937,
0.0171489994... | [
-972370.375
] | [
4.778824329376221,
-1.4966366291046143,
-19.766122817993164,
-12.355866432189941,
60.83661651611328,
70.7540512084961,
-26.828371047973633,
10.024785041809082,
3.7609736919403076,
-13.832988739013672,
-25.42597770690918,
15.300104141235352,
10.938737869262695,
-7.31187105178833,
-23.9748... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
1.5431289672851562,
-0.6201609969139099,
6.684431076049805,
-2.788580894470215,
-2.5731120109558105,
-2.449937105178833,
-0.4086639881134033,
-2.6628661155700684,
-2.297739028930664,
0.686706006526947,
2.8034040927886963,
-4.254146099090576,
1.1192439794540405,
2.223012924194336,
1.84135... | [
-972354.9375
] | [
-6.330613613128662,
27.833810806274414,
-38.2707405090332,
33.32608413696289,
6.747469902038574,
6.126866817474365,
-39.86423873901367,
-20.440692901611328,
-7.428025722503662,
-43.78125762939453,
-26.99498176574707,
52.405338287353516,
-3.540891170501709,
-2.1525261402130127,
-3.5056557... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
5.95517110824585,
1.8700250387191772,
3.0464890003204346,
-5.510203838348389,
-2.2600269317626953,
0.9497460126876831,
-3.391890048980713,
-2.824345111846924,
1.816182017326355,
0.40918898582458496,
0.9429559707641602,
-2.823470115661621,
1.8918410539627075,
1.835055947303772,
-0.7705850... | [
-972419.6875
] | [
6.102297782897949,
-2.582400321960449,
10.025086402893066,
17.61334228515625,
-22.27643394470215,
31.85381317138672,
-11.01717758178711,
-15.062363624572754,
14.079424858093262,
0.3112044930458069,
-5.058588027954102,
-0.06302757561206818,
17.302101135253906,
-0.83253413438797,
-6.401587... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
0.5219979882240295,
0.04320000112056732,
6.258603096008301,
0.19439899921417236,
5.003708839416504,
-2.0651440620422363,
2.3104920387268066,
4.468998908996582,
-1.2548949718475342,
-0.43744298815727234,
-1.7514430284500122,
-2.6175379753112793,
-0.6675930023193359,
0.5134680271148682,
0.... | [
-972415.4375
] | [
-2.86763072013855,
2.3364574909210205,
-7.665571689605713,
24.513931274414062,
-2.305868148803711,
6.1680989265441895,
31.99009895324707,
13.579923629760742,
2.9651288986206055,
-0.10932795703411102,
-4.23844575881958,
-0.8963419795036316,
2.3030447959899902,
-23.956003189086914,
2.81622... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
3.4175920486450195,
-0.33362001180648804,
-4.791574954986572,
-2.2711129188537598,
-2.6049020290374756,
4.255703926086426,
-3.6899631023406982,
-0.8660500049591064,
3.4144539833068848,
0.04123200103640556,
4.375086784362793,
1.7133480310440063,
1.296381950378418,
0.255746990442276,
0.111... | [
-972358.375
] | [
22.642683029174805,
16.980121612548828,
6.13765811920166,
-40.3282356262207,
-2.795912265777588,
3.953317403793335,
16.30099868774414,
-41.5509147644043,
21.882896423339844,
-19.76992416381836,
16.015396118164062,
5.097960948944092,
-6.76649284362793,
3.303412914276123,
61.86363220214844... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
-4.456222057342529,
4.778099060058594,
2.5700600147247314,
6.871403217315674,
-2.601067066192627,
-0.22073900699615479,
5.051865100860596,
-4.042119979858398,
0.36934900283813477,
0.9907670021057129,
0.7303159832954407,
-2.012885093688965,
-1.0395530462265015,
1.2877509593963623,
-0.0209... | [
-972364.0625
] | [
-2.630225658416748,
-2.083874225616455,
-21.409090042114258,
-19.427610397338867,
-45.980350494384766,
27.354835510253906,
53.482704162597656,
-89.59215545654297,
28.355087280273438,
10.53869915008545,
10.473213195800781,
-13.559468269348145,
12.1538724899292,
13.817639350891113,
-74.383... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
5.657107830047607,
2.9565160274505615,
-1.112136960029602,
-3.296046018600464,
2.9377388954162598,
3.9681360721588135,
-4.535388946533203,
2.1172258853912354,
2.1973800659179688,
-2.7690999507904053,
-2.6853809356689453,
1.4676049947738647,
1.6705909967422485,
-0.7583550214767456,
-1.861... | [
-972368.4375
] | [
70.02584075927734,
70.11807250976562,
2.211148262023926,
-1.5499225854873657,
-25.27743911743164,
1.3542823791503906,
-31.88382339477539,
22.21579360961914,
-11.331221580505371,
-73.36148071289062,
11.871891021728516,
17.954343795776367,
-13.093064308166504,
-0.7565763592720032,
-10.4248... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
-2.774660110473633,
0.24803400039672852,
-5.008934020996094,
-0.3744730055332184,
-0.16149599850177765,
6.51068115234375,
0.5858619809150696,
1.907829999923706,
6.0268659591674805,
4.7210869789123535,
-0.10223200172185898,
2.3375000953674316,
0.8150830268859863,
-0.4559189975261688,
-0.7... | [
-972418.625
] | [
11.895115852355957,
7.815880298614502,
14.308884620666504,
7.395242691040039,
23.05634880065918,
13.375094413757324,
1.152909755706787,
19.08293914794922,
13.35378360748291,
1.1568561792373657,
-4.031085968017578,
9.908260345458984,
-2.024446725845337,
-21.018177032470703,
-12.5949707031... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
-5.571837902069092,
2.8209660053253174,
-0.02572599984705448,
5.048184871673584,
-2.463291883468628,
3.6485979557037354,
5.350515842437744,
-0.2246830016374588,
3.2923359870910645,
3.624152898788452,
2.1266651153564453,
-0.6745529770851135,
-0.9981949925422668,
-0.28184399008750916,
-0.3... | [
-972371.5625
] | [
-33.23049545288086,
-31.772741317749023,
-35.623199462890625,
12.616445541381836,
5.405531883239746,
19.926023483276367,
-1.285400390625,
5.036280155181885,
15.016603469848633,
81.15922546386719,
19.145967483520508,
19.357561111450195,
0.6518268585205078,
-17.500980377197266,
-2.35611367... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
-3.2349140644073486,
4.383347034454346,
3.145108938217163,
6.601993083953857,
-0.2544279992580414,
0.365898996591568,
5.783760070800781,
-2.4434070587158203,
0.5576779842376709,
0.30919501185417175,
0.7109779715538025,
-2.0006461143493652,
-1.7084050178527832,
0.2650899887084961,
-0.2304... | [
-972420.25
] | [
2.9083364009857178,
-0.02953168749809265,
9.207566261291504,
6.5213799476623535,
-19.82478904724121,
-2.380617618560791,
17.798229217529297,
-6.4300031661987305,
6.338149547576904,
-10.518936157226562,
1.0721198320388794,
5.201296806335449,
-26.666837692260742,
9.30138111114502,
6.182389... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
4.1932501792907715,
2.931735038757324,
0.5940830111503601,
-0.9034219980239868,
2.9279139041900635,
-2.5082690715789795,
1.162268042564392,
1.7627220153808594,
-2.283086061477661,
-1.1161270141601562,
-3.7771100997924805,
1.4753140211105347,
-0.5088390111923218,
1.2929199934005737,
2.905... | [
-972425.6875
] | [
15.223475456237793,
5.531007289886475,
-14.829805374145508,
18.682954788208008,
1.3979324102401733,
-8.851411819458008,
-21.9603214263916,
21.982181549072266,
-5.412585258483887,
-14.492135047912598,
-11.924308776855469,
8.297870635986328,
-1.971763014793396,
14.75235366821289,
6.5520749... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
2.997860908508301,
-0.803363025188446,
3.659437894821167,
4.005829811096191,
-0.34107500314712524,
-1.3336399793624878,
2.7676401138305664,
-1.6115260124206543,
0.17448599636554718,
-2.2786200046539307,
1.6589699983596802,
-2.903719902038574,
0.2722809910774231,
3.0878539085388184,
0.959... | [
-972422.3125
] | [
13.53626823425293,
-19.97766876220703,
21.98221206665039,
34.25754165649414,
-27.310588836669922,
4.292675495147705,
17.567352294921875,
12.914782524108887,
-2.9858713150024414,
-4.450491905212402,
0.5537689328193665,
-12.959416389465332,
-14.53787612915039,
11.014249801635742,
0.6378199... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
2.9617509841918945,
-0.237635999917984,
4.347808837890625,
3.7514190673828125,
-0.5446720123291016,
-2.2584850788116455,
2.977972984313965,
-1.644284963607788,
-0.43443599343299866,
-2.6945459842681885,
0.6251919865608215,
-2.500369071960449,
0.49257099628448486,
3.1273059844970703,
0.71... | [
-972360
] | [
-30.87532615661621,
6.999057292938232,
-43.429718017578125,
26.548534393310547,
5.53427791595459,
-26.674217224121094,
-21.45337677001953,
-23.602331161499023,
6.401700973510742,
-8.745161056518555,
27.69827651977539,
0.15358398854732513,
-21.365188598632812,
20.942472457885742,
-34.2307... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
6.519771099090576,
2.169239044189453,
3.003948926925659,
-6.022571086883545,
-1.7572189569473267,
0.3465160131454468,
-4.175583839416504,
-3.2289559841156006,
0.3289639949798584,
0.688772976398468,
1.2770040035247803,
-2.3321280479431152,
2.100766897201538,
1.3032959699630737,
-0.1192459... | [
-972360.375
] | [
12.980743408203125,
-12.07781982421875,
-25.162187576293945,
36.202301025390625,
-44.19561004638672,
28.07773780822754,
15.848138809204102,
-57.32706832885742,
18.737537384033203,
29.487857818603516,
35.007022857666016,
-8.735330581665039,
-36.39522933959961,
-9.798681259155273,
-4.08702... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37... | [
4.389795780181885,
3.800847053527832,
-1.9151710271835327,
-2.843229055404663,
3.255388021469116,
2.83451509475708,
-3.9132790565490723,
2.1830968856811523,
1.0198049545288086,
-2.6278769969940186,
-3.0221810340881348,
1.997473955154419,
1.8645859956741333,
-1.0210150480270386,
-1.433936... | [
-972418.25
] | [
32.38642501831055,
36.211463928222656,
3.2410895824432373,
-14.084040641784668,
11.814046859741211,
-0.5698024034500122,
12.9484224319458,
17.495468139648438,
29.614591598510742,
-8.146170616149902,
-4.726253509521484,
3.5733211040496826,
12.635345458984375,
-8.571011543273926,
-3.870715... |
[H:32][c:10]1[c:7]([c:12]2[c:13]([c:11]([c:18]1[C@:26]([H:48])([C@:23]([H:44])([C:21]([H:39])([H:40])[H:41])[O:4][H:27])[C:24]([H:45])([H:46])[C@:25]3([C:22]([c:17]4[c:9]([c:14]([c:16]([c:8]([c:15]4[O:5]3)[H:30])[S:6][H:28])[O:1][C:19]([H:34])([H:35])[H:36])[H:31])([H:42])[H:43])[H:47])[H:33])[O:3][C:20]([O:2]2)([H:37]... | [
5.196920871734619,
4.479804992675781,
2.7220730781555176,
-4.834356784820557,
-0.7995870113372803,
-2.8842380046844482,
-2.825476884841919,
-1.3911620378494263,
-3.939486026763916,
1.4292290210723877,
-3.0645320415496826,
1.3802839517593384,
1.9818190336227417,
0.9286569952964783,
-0.016... | [
-972412.4375
] | [
-16.830684661865234,
31.810550689697266,
4.634294033050537,
12.094263076782227,
-3.318596124649048,
7.9810285568237305,
-13.240968704223633,
-1.129119873046875,
-11.80044937133789,
-2.674405813217163,
26.118083953857422,
-11.598331451416016,
2.743511915206909,
-15.373406410217285,
-12.91... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
1.8673230409622192,
1.8214540481567383,
-0.6564559936523438,
4.371679782867432,
-0.42262598872184753,
-0.36518099904060364,
-4.505863189697266,
-1.0397900342941284,
4.000826835632324,
2.97249698638916,
2.54354190826416,
-4.860119819641113,
2.4457449913024902,
0.8120059967041016,
-0.17949... | [
-706330.0625
] | [
23.04631996154785,
-47.977779388427734,
28.498849868774414,
26.943470001220703,
-22.259559631347656,
11.709081649780273,
-65.8289566040039,
15.857010841369629,
45.839168548583984,
11.137367248535156,
6.982090473175049,
22.286474227905273,
-59.96238708496094,
75.7191390991211,
-34.7104759... |
[H:27][c:9]1[c:10]([c:12]([c:14]([c:13]([c:11]1[H:29])[H:31])[C@@:24]2([C:6](=[O:1])[N:3]=[C:8]([N:15]([C:7]2=[O:2])[H:32])[O:4][H:25])[N:16]3[C:18]([C:21]([C:23]([C:22]([C:19]3([H:37])[H:38])([H:43])[H:44])([H:45])[C:20]([H:39])([H:40])[C:17]([H:33])([H:34])[O:5][H:26])([H:41])[H:42])([H:35])[H:36])[H:30])[H:28] | [
-2.5106329917907715,
-0.01848899945616722,
0.21326999366283417,
1.675781011581421,
-1.9090650081634521,
-1.0629810094833374,
-2.297091007232666,
-1.5331690311431885,
-1.3561550378799438,
-2.147922992706299,
-3.097641944885254,
-3.0292410850524902,
3.1846959590911865,
6.370960235595703,
1... | [
-706346.4375
] | [
38.003456115722656,
-10.538602828979492,
-4.465610980987549,
-20.339569091796875,
24.03002166748047,
5.7823028564453125,
12.52455997467041,
-40.160030364990234,
-37.85291290283203,
22.61540412902832,
7.328887462615967,
19.493507385253906,
3.2541050910949707,
3.7890870571136475,
0.3230805... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
0.681547999382019,
0.1663459986448288,
3.419589042663574,
1.7987719774246216,
1.5801169872283936,
-0.8778489828109741,
0.26247501373291016,
2.723997116088867,
1.3297350406646729,
-3.5220420360565186,
-1.1787899732589722,
1.208611011505127,
3.624972105026245,
-2.8222789764404297,
0.599130... | [
-706296.9375
] | [
-6.35382604598999,
2.227969169616699,
-40.34471130371094,
8.604971885681152,
-42.051395416259766,
31.615509033203125,
24.541288375854492,
-36.84454345703125,
-30.438823699951172,
-6.3785505294799805,
21.540468215942383,
-11.203880310058594,
-1.1921082735061646,
10.827862739562988,
-9.052... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
-0.8970969915390015,
1.7674280405044556,
0.6063100099563599,
-2.207587957382202,
0.19023799896240234,
-2.221395969390869,
5.102866172790527,
-1.1450350284576416,
4.882036209106445,
-5.144233226776123,
3.5637710094451904,
-0.941307008266449,
-1.0352449417114258,
0.8340780138969421,
-0.196... | [
-706321.125
] | [
7.135356903076172,
-23.24837303161621,
-39.714988708496094,
31.776092529296875,
-23.972579956054688,
10.985563278198242,
-6.275484561920166,
15.334771156311035,
4.140936851501465,
-34.94811248779297,
27.662425994873047,
-17.635345458984375,
-34.661415100097656,
51.50761413574219,
61.0524... |
[H:27][c:9]1[c:10]([c:12]([c:14]([c:13]([c:11]1[H:29])[H:31])[C@@:24]2([C:6](=[O:1])[N:3]=[C:8]([N:15]([C:7]2=[O:2])[H:32])[O:4][H:25])[N:16]3[C:18]([C:21]([C:23]([C:22]([C:19]3([H:37])[H:38])([H:43])[H:44])([H:45])[C:20]([H:39])([H:40])[C:17]([H:33])([H:34])[O:5][H:26])([H:41])[H:42])([H:35])[H:36])[H:30])[H:28] | [
1.2607589960098267,
3.315359115600586,
1.5630719661712646,
3.033695936203003,
-1.006018042564392,
1.3475279808044434,
3.1854100227355957,
2.750941038131714,
2.4283289909362793,
5.061768054962158,
2.412393093109131,
3.3935399055480957,
-3.950279951095581,
-2.4153690338134766,
2.6875340938... | [
-706333.5625
] | [
14.295443534851074,
-55.28911590576172,
-8.322931289672852,
-6.073885440826416,
8.057611465454102,
-8.000298500061035,
-25.1060733795166,
1.7194914817810059,
-23.922147750854492,
30.68148422241211,
-19.247358322143555,
-4.804332733154297,
10.891081809997559,
-5.6709699630737305,
27.15280... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
-0.7803890109062195,
2.202800989151001,
-0.9463239908218384,
1.442389965057373,
1.55581796169281,
-3.4534449577331543,
0.6792200207710266,
-2.718317985534668,
5.942956924438477,
3.6786561012268066,
3.2412710189819336,
-3.7711780071258545,
0.10722099989652634,
1.595263957977295,
-1.512675... | [
-706319.6875
] | [
8.514200210571289,
-2.9393017292022705,
-7.803542137145996,
42.09680938720703,
-74.83381652832031,
-42.57173156738281,
-38.4439811706543,
-5.772690773010254,
51.08441162109375,
3.689019203186035,
-60.40129852294922,
11.737911224365234,
-35.16096115112305,
-51.622554779052734,
71.78143310... |
[H:26][c:8]1[c:9]([c:13]([c:17]2[c:15]([c:11]([c:10]([c:14]([c:16]2[c:12]1[H:28])[H:30])[C:5](=[O:1])[O:4][H:25])[N:18]([H:32])[H:33])[H:31])[H:29])[H:27].[H:45][C@@:24]([C:7](=[O:3])[N:19]([H:34])[C:22]([H:39])([H:40])[H:41])([C:23]([H:42])([H:43])[H:44])[N:20]([H:35])[C:6](=[O:2])[C:21]([H:36])([H:37])[H:38] | [
3.449273109436035,
0.7216659784317017,
-0.8120599985122681,
-2.249145984649658,
-5.070926189422607,
-2.4965789318084717,
-1.4464130401611328,
-1.864184021949768,
1.1343330144882202,
4.455348014831543,
2.7059390544891357,
-1.1527860164642334,
3.408489942550659,
1.9410909414291382,
-0.7579... | [
-706383.0625
] | [
17.49808120727539,
20.81220817565918,
-6.683638572692871,
1.2053775787353516,
-5.828047275543213,
-6.026660442352295,
4.372330665588379,
6.7444024085998535,
-8.058280944824219,
-8.137646675109863,
-8.490471839904785,
2.905522346496582,
-24.390634536743164,
-42.91012954711914,
11.93496417... |
[H:26][c:10]1[c:13]([c:16]2[c:12]([n:4][c:9]([c:14]([c:17]2[c:15]([c:11]1[H:27])[C:6](=[O:1])[O:5][C:20]([H:33])([H:34])[H:35])[H:30])[H:25])[H:28])[H:29].[H:45][C@@:24]([C:8](=[O:3])[N:18]([H:31])[C:22]([H:39])([H:40])[H:41])([C:23]([H:42])([H:43])[H:44])[N:19]([H:32])[C:7](=[O:2])[C:21]([H:36])([H:37])[H:38] | [
-4.114418983459473,
-0.7609630227088928,
-2.871293067932129,
5.0370869636535645,
-1.448591947555542,
1.8119089603424072,
2.188755989074707,
2.5117549896240234,
-0.990261971950531,
-1.4380769729614258,
-1.2137500047683716,
2.7834889888763428,
-4.827414035797119,
-2.119450092315674,
-1.162... | [
-706368.25
] | [
-12.699373245239258,
-25.393096923828125,
34.421974182128906,
3.457428455352783,
-3.3687729835510254,
7.582369804382324,
3.563109874725342,
-10.863438606262207,
0.5366705656051636,
2.2894351482391357,
39.22145462036133,
10.804516792297363,
11.140039443969727,
15.438512802124023,
-4.09948... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
0.8402820229530334,
-1.9419909715652466,
-1.344547986984253,
-0.9888439774513245,
1.1601380109786987,
1.6235710382461548,
-0.6657050251960754,
-1.6969729661941528,
1.6089600324630737,
4.607215881347656,
0.599373996257782,
0.6247580051422119,
-0.25656700134277344,
2.8300468921661377,
-3.0... | [
-706254.25
] | [
2.2813310623168945,
67.90731811523438,
61.500244140625,
15.245321273803711,
-41.852657318115234,
-100.57484436035156,
4.5162553787231445,
8.383682250976562,
-31.923925399780273,
-31.244773864746094,
-9.895268440246582,
-15.66260814666748,
-15.617932319641113,
-46.79684066772461,
-30.6511... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
1.528872013092041,
2.2276759147644043,
-0.6169800162315369,
-1.6919649839401245,
3.42478609085083,
-1.0237079858779907,
2.2690188884735107,
-4.840582847595215,
3.705151081085205,
1.383694052696228,
7.901440143585205,
-0.16647399961948395,
0.26273900270462036,
2.1617400646209717,
-0.72382... | [
-706333.6875
] | [
-70.68341064453125,
5.475042343139648,
-3.9313275814056396,
21.10559844970703,
-13.993492126464844,
-8.987594604492188,
-25.93748664855957,
17.990476608276367,
8.648229598999023,
-8.798596382141113,
8.701704978942871,
40.5735969543457,
130.131591796875,
-102.13050079345703,
28.8104171752... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
-0.8122749924659729,
-1.3095510005950928,
0.7401419878005981,
1.964697003364563,
-3.019788980484009,
-0.4320070147514343,
2.090157985687256,
7.168045997619629,
0.15259799361228943,
-2.0905001163482666,
-5.026683807373047,
1.904412031173706,
0.3131609857082367,
-1.4717780351638794,
0.2422... | [
-706382.25
] | [
42.116085052490234,
-4.95674991607666,
-12.749669075012207,
9.133580207824707,
15.395308494567871,
-12.646639823913574,
-12.458772659301758,
-10.608165740966797,
-5.123129844665527,
6.4527106285095215,
9.76893138885498,
4.500753879547119,
-51.7877311706543,
55.10029602050781,
6.925517559... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
0.9039890170097351,
-1.3998080492019653,
-1.7592949867248535,
0.9296919703483582,
0.17710599303245544,
2.4488329887390137,
-0.5641070008277893,
-1.863759994506836,
1.1476030349731445,
-1.3857519626617432,
2.826633930206299,
-1.8673360347747803,
4.586328983306885,
2.180138111114502,
-0.36... | [
-706307.5625
] | [
-1.9032498598098755,
4.951742172241211,
-4.524987697601318,
41.302040100097656,
9.183540344238281,
-48.140708923339844,
26.37299346923828,
27.080005645751953,
-4.705599784851074,
6.27970027923584,
1.0000977516174316,
1.5952649116516113,
2.247652530670166,
-2.1448171138763428,
11.68932819... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
0.8196079730987549,
-0.4089449942111969,
2.948232889175415,
-2.2397749423980713,
-1.872454047203064,
2.160473108291626,
4.5711259841918945,
4.518356800079346,
-2.5414481163024902,
-4.560616970062256,
-1.605443000793457,
3.6497480869293213,
-0.03096899949014187,
-0.8782749772071838,
2.161... | [
-706382
] | [
-35.1191291809082,
-22.671842575073242,
-40.26472473144531,
22.70928192138672,
10.894763946533203,
-15.095060348510742,
-26.197956085205078,
-28.164043426513672,
12.958341598510742,
-10.37303638458252,
0.7286585569381714,
-18.330347061157227,
54.503177642822266,
38.912776947021484,
6.915... |
[H:28][c:12]1[c:10]([c:13]([c:16]2[c:17]([c:15]1[H:31])[c:14]([c:11]([c:9]([n:4]2)[C:24]([H:44])([H:45])[C:23]([H:42])([H:43])[C:8](=[O:3])[O:5][H:25])[H:27])[H:30])[H:29])[H:26].[H:34][C:20]([H:35])([H:36])[C:6](=[O:1])[N:19]([H:33])[C:22]([H:40])([H:41])[C:7](=[O:2])[N:18]([H:32])[C:21]([H:37])([H:38])[H:39] | [
5.506903171539307,
-0.13946600258350372,
3.832953929901123,
2.046298027038574,
3.1778581142425537,
1.1469509601593018,
1.2593649625778198,
-0.19127100706100464,
-2.071352005004883,
-2.6266961097717285,
-1.3642820119857788,
-2.699162006378174,
0.02579299919307232,
0.06737399846315384,
-0.... | [
-706384
] | [
5.1748127937316895,
-3.7097854614257812,
0.1850793957710266,
-0.7780693769454956,
-5.831813335418701,
-2.847594976425171,
-17.856220245361328,
5.184593200683594,
20.3472843170166,
35.520965576171875,
-24.648099899291992,
10.74003791809082,
1.3590730428695679,
-11.429184913635254,
-12.625... |
[H:36][C:13]1=[N:7][c:18]2[c:19]([c:17]([c:15]([c:14]([c:16]2[Br:5])[Br:3])[Br:4])[Br:6])[N:21]1[C@:28]3([C:29]([C@:31]([C@@:30]([O:9]3)([H:56])[C:27]([H:51])([H:52])[O:8][H:34])([H:57])[O:10][H:35])([H:54])[H:55])[H:53].[H:59][C@@:33]([C:12](=[O:2])[N:20]([H:37])[C:24]([H:42])([H:43])[H:44])([C:32]([H:58])([C:25]([H:4... | [
1.8036220073699951,
-1.7657339572906494,
-5.279304027557373,
0.043473001569509506,
1.7053719758987427,
-2.357912063598633,
1.1989150047302246,
-5.945271968841553,
1.3150030374526978,
0.9572299718856812,
-3.4832348823547363,
-0.8816869854927063,
0.9440780282020569,
-5.284327983856201,
4.5... | [
-7322431.5
] | [
-5.459679126739502,
3.372710943222046,
-0.5004698634147644,
1.7547056674957275,
-7.656851291656494,
5.740537166595459,
-2.6153924465179443,
15.089821815490723,
5.398641109466553,
-2.461542844772339,
3.893216371536255,
15.69279956817627,
-1.7179226875305176,
17.342710494995117,
-10.032008... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
2.4620039463043213,
-0.43464601039886475,
1.4589359760284424,
1.9804749488830566,
-2.310218095779419,
-1.56256103515625,
-3.3584229946136475,
6.109018802642822,
0.05486299842596054,
3.2034809589385986,
-7.007491111755371,
-0.5066750049591064,
1.8982629776000977,
-0.7802950143814087,
0.34... | [
-706339.75
] | [
-53.99477005004883,
-42.98283767700195,
-85.39849853515625,
-5.698964595794678,
20.628856658935547,
48.83409118652344,
45.820125579833984,
-33.4214973449707,
22.477767944335938,
7.102878093719482,
-39.58489227294922,
-7.4246826171875,
41.474884033203125,
59.76597213745117,
63.00077056884... |
[H:36][C:13]1=[N:7][c:18]2[c:19]([c:17]([c:15]([c:14]([c:16]2[Br:5])[Br:3])[Br:4])[Br:6])[N:21]1[C@:28]3([C:29]([C@:31]([C@@:30]([O:9]3)([H:56])[C:27]([H:51])([H:52])[O:8][H:34])([H:57])[O:10][H:35])([H:54])[H:55])[H:53].[H:59][C@@:33]([C:12](=[O:2])[N:20]([H:37])[C:24]([H:42])([H:43])[H:44])([C:32]([H:58])([C:25]([H:4... | [
3.6220619678497314,
-4.496140956878662,
4.4894537925720215,
3.4759819507598877,
0.4146740138530731,
1.5357589721679688,
-1.6631380319595337,
-4.366854190826416,
-4.365625858306885,
-1.9101109504699707,
-1.907731056213379,
-6.5695319175720215,
-1.9114290475845337,
-3.6996870040893555,
-1.... | [
-7322425.5
] | [
-1.045380711555481,
-2.5829031467437744,
7.490378379821777,
-0.8793266415596008,
-7.75606632232666,
-2.576350450515747,
-2.65169620513916,
15.310545921325684,
5.47074031829834,
-1.7924610376358032,
4.657471179962158,
16.706384658813477,
-1.861403465270996,
17.204591751098633,
-10.0865201... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
-1.335244059562683,
-1.03813898563385,
-0.2605710029602051,
-3.08158802986145,
1.5653079748153687,
1.0549590587615967,
6.771711826324463,
2.050482988357544,
-1.0400639772415161,
-4.71706485748291,
1.4560879468917847,
3.6775290966033936,
-1.5628329515457153,
0.07130199670791626,
0.2417329... | [
-706341.5625
] | [
-17.65660858154297,
27.759981155395508,
8.521712303161621,
21.46722412109375,
120.46831512451172,
41.66994094848633,
26.442554473876953,
-17.76365089416504,
-6.916220664978027,
1.6577695608139038,
-30.524269104003906,
-15.666746139526367,
79.67730712890625,
-63.049312591552734,
-34.34245... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
1.7893240451812744,
0.9143149852752686,
1.9080239534378052,
-0.4520910084247589,
-0.5744100213050842,
4.089119911193848,
0.9687809944152832,
0.06897199898958206,
-6.256639003753662,
1.9307359457015991,
0.5706480145454407,
8.965411186218262,
0.8801159858703613,
0.210534006357193,
2.266448... | [
-706335.5
] | [
43.8235969543457,
9.22134780883789,
5.659483909606934,
37.026485443115234,
28.413211822509766,
-12.049306869506836,
-21.034934997558594,
30.880640029907227,
75.63675689697266,
2.6395273208618164,
2.3498964309692383,
1.3124252557754517,
-8.606529235839844,
32.98387908935547,
-30.868717193... |
[H:27][c:9]1[c:10]([c:12]([c:14]([c:13]([c:11]1[H:29])[H:31])[C@@:24]2([C:6](=[O:1])[N:3]=[C:8]([N:15]([C:7]2=[O:2])[H:32])[O:4][H:25])[N:16]3[C:18]([C:21]([C:23]([C:22]([C:19]3([H:37])[H:38])([H:43])[H:44])([H:45])[C:20]([H:39])([H:40])[C:17]([H:33])([H:34])[O:5][H:26])([H:41])[H:42])([H:35])[H:36])[H:30])[H:28] | [
-3.248300075531006,
-0.2532300055027008,
-0.914035975933075,
0.5179759860038757,
-2.4580318927764893,
-1.0541579723358154,
-1.8478310108184814,
0.6217989921569824,
-2.2717790603637695,
-0.5762850046157837,
0.833184003829956,
-4.014439105987549,
5.352100849151611,
1.9613779783248901,
1.59... | [
-706279.0625
] | [
11.721457481384277,
3.5825419425964355,
50.69737243652344,
-28.20094871520996,
17.936439514160156,
2.391671895980835,
96.48393249511719,
-19.696481704711914,
-7.716789722442627,
55.78422164916992,
-46.27718734741211,
-28.378604888916016,
-0.09880616515874863,
4.498356342315674,
-4.810623... |
[H:36][C:13]1=[N:7][c:18]2[c:19]([c:17]([c:15]([c:14]([c:16]2[Br:5])[Br:3])[Br:4])[Br:6])[N:21]1[C@:28]3([C:29]([C@:31]([C@@:30]([O:9]3)([H:56])[C:27]([H:51])([H:52])[O:8][H:34])([H:57])[O:10][H:35])([H:54])[H:55])[H:53].[H:59][C@@:33]([C:12](=[O:2])[N:20]([H:37])[C:24]([H:42])([H:43])[H:44])([C:32]([H:58])([C:25]([H:4... | [
4.589684009552002,
-1.6760560274124146,
-5.170095920562744,
3.603754997253418,
-4.211363792419434,
-1.767030954360962,
-1.962391972541809,
-4.340328216552734,
-1.0604890584945679,
-2.1982009410858154,
-1.8697079420089722,
-3.250075101852417,
-2.2179579734802246,
-3.6928648948669434,
2.21... | [
-7322428.5
] | [
-1.894736886024475,
-1.7010483741760254,
-4.043766975402832,
1.2335917949676514,
11.464149475097656,
7.224640846252441,
-2.1847496032714844,
15.492918014526367,
5.3289384841918945,
-1.5740481615066528,
4.40178918838501,
16.238866806030273,
-1.7332079410552979,
17.72705078125,
-10.2485666... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
-1.4294589757919312,
0.42919299006462097,
1.859151005744934,
-2.568579912185669,
0.9463520050048828,
-1.3718440532684326,
6.571518898010254,
0.9157379865646362,
3.2129790782928467,
-7.22496223449707,
-1.8552160263061523,
-1.2121410369873047,
-1.385761022567749,
0.5677459836006165,
0.6552... | [
-706380
] | [
0.0703369751572609,
4.151841640472412,
1.2168172597885132,
4.403859615325928,
-10.718825340270996,
15.308355331420898,
11.373361587524414,
16.80580711364746,
-17.4677791595459,
8.358845710754395,
-19.406452178955078,
-8.74584674835205,
41.41685485839844,
-16.983531951904297,
-1.321609377... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
3.326143980026245,
0.764054000377655,
-0.5168920159339905,
-1.224073052406311,
0.25211301445961,
-0.8992769718170166,
0.5267800092697144,
2.427903890609741,
-0.554623007774353,
2.6132519245147705,
2.5440280437469482,
4.183409214019775,
0.4546259939670563,
-4.228431224822998,
-0.056269999... | [
-706260.9375
] | [
-23.761722564697266,
11.026775360107422,
17.286518096923828,
-38.51287841796875,
-7.960941791534424,
-3.281881809234619,
4.805427074432373,
-7.377954483032227,
16.567899703979492,
-27.77488899230957,
-51.55088424682617,
-29.4821834564209,
15.648566246032715,
20.295724868774414,
-28.28528... |
[H:27][c:9]1[c:10]([c:12]([c:14]([c:13]([c:11]1[H:29])[H:31])[C@@:24]2([C:6](=[O:1])[N:3]=[C:8]([N:15]([C:7]2=[O:2])[H:32])[O:4][H:25])[N:16]3[C:18]([C:21]([C:23]([C:22]([C:19]3([H:37])[H:38])([H:43])[H:44])([H:45])[C:20]([H:39])([H:40])[C:17]([H:33])([H:34])[O:5][H:26])([H:41])[H:42])([H:35])[H:36])[H:30])[H:28] | [
1.3776229619979858,
3.0186851024627686,
1.9411699771881104,
2.7964370250701904,
-1.3205519914627075,
1.4159369468688965,
3.250861883163452,
2.345679998397827,
2.51921010017395,
4.949090003967285,
1.5634340047836304,
3.6105520725250244,
-4.1390061378479,
-2.1933579444885254,
2.27978706359... | [
-706289.6875
] | [
-40.62042236328125,
-16.794971466064453,
-39.10405731201172,
-18.72737693786621,
26.804014205932617,
-0.37352651357650757,
12.749777793884277,
38.63206481933594,
-1.0683773756027222,
41.73215866088867,
16.836395263671875,
33.49498748779297,
23.089427947998047,
-37.57340621948242,
27.2642... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
-1.3460090160369873,
-0.2991729974746704,
0.4976080060005188,
0.3582339882850647,
-3.2482640743255615,
0.34001800417900085,
4.597846031188965,
5.847580909729004,
2.410274028778076,
-4.055016040802002,
-6.521553993225098,
-0.5196340084075928,
-0.3686409890651703,
-1.0031880140304565,
0.29... | [
-706382.0625
] | [
-6.308655738830566,
-6.396724224090576,
-8.075766563415527,
20.339439392089844,
-1.8237512111663818,
6.4900054931640625,
-9.487627983093262,
22.594167709350586,
4.289725303649902,
-17.647302627563477,
-31.357105255126953,
10.589750289916992,
-0.27335429191589355,
69.27980041503906,
20.62... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
2.5516669750213623,
1.3368979692459106,
-0.400505006313324,
3.790872097015381,
-1.1923199892044067,
1.631598949432373,
-5.566492080688477,
2.7809929847717285,
-0.639290988445282,
6.808047771453857,
1.6480289697647095,
1.154649019241333,
2.5127170085906982,
0.3698340058326721,
0.424522995... | [
-706326.25
] | [
1.3375978469848633,
-57.87956237792969,
59.97119903564453,
-11.060551643371582,
7.094104290008545,
-3.1311426162719727,
-17.618253707885742,
1.5601123571395874,
3.9249074459075928,
16.533065795898438,
16.65376853942871,
6.378197193145752,
-31.38067054748535,
70.5499038696289,
-96.4233932... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
-0.9795020222663879,
0.17391300201416016,
0.6866469979286194,
1.2064650058746338,
2.5883169174194336,
1.7294280529022217,
1.542814016342163,
1.6451330184936523,
-0.9020339846611023,
-0.4238649904727936,
-3.3519580364227295,
-2.704545021057129,
0.012927000410854816,
-0.17957399785518646,
... | [
-706260.75
] | [
-54.680294036865234,
31.314987182617188,
52.3835563659668,
16.156803131103516,
-63.734580993652344,
-17.387269973754883,
0.646746814250946,
3.2596678733825684,
9.611515045166016,
21.282365798950195,
-35.13474655151367,
0.17930325865745544,
-2.858499765396118,
-19.36081314086914,
-12.9999... |
[H:27][c:9]1[c:10]([c:12]([c:14]([c:13]([c:11]1[H:29])[H:31])[C@@:24]2([C:6](=[O:1])[N:3]=[C:8]([N:15]([C:7]2=[O:2])[H:32])[O:4][H:25])[N:16]3[C:18]([C:21]([C:23]([C:22]([C:19]3([H:37])[H:38])([H:43])[H:44])([H:45])[C:20]([H:39])([H:40])[C:17]([H:33])([H:34])[O:5][H:26])([H:41])[H:42])([H:35])[H:36])[H:30])[H:28] | [
-2.1651389598846436,
-1.062641978263855,
1.4877489805221558,
1.6308979988098145,
-1.3642189502716064,
-0.9382550120353699,
-1.2917150259017944,
-2.967026948928833,
0.9106090068817139,
-0.6352090239524841,
-5.017852783203125,
0.38328298926353455,
2.741513967514038,
3.559722900390625,
-1.6... | [
-706289
] | [
71.86695098876953,
-6.08297872543335,
-26.168468475341797,
-6.6042585372924805,
-27.05636215209961,
42.109439849853516,
0.05064167454838753,
-29.922555923461914,
8.848282814025879,
32.75333786010742,
7.057046413421631,
-15.41480827331543,
-6.33310604095459,
14.287862777709961,
-1.0520722... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
-2.393099069595337,
1.1900089979171753,
0.12957699596881866,
2.006392002105713,
0.8508769869804382,
1.6538640260696411,
-0.5802649855613708,
-0.13891799747943878,
2.482738971710205,
-0.6552180051803589,
-2.6670238971710205,
-2.2991950511932373,
1.729220986366272,
4.85067081451416,
-1.109... | [
-706307.25
] | [
10.748880386352539,
9.356453895568848,
7.522639751434326,
-38.4218864440918,
32.85317611694336,
-43.332069396972656,
15.00809383392334,
15.719285011291504,
-18.887554168701172,
6.58437442779541,
1.3179831504821777,
5.24296760559082,
14.117257118225098,
-15.381349563598633,
9.269170761108... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
-0.8893290162086487,
2.9370930194854736,
1.863963007926941,
1.906214952468872,
0.9130690097808838,
-1.3486260175704956,
-0.9877309799194336,
1.5037410259246826,
-1.1791750192642212,
-1.7245999574661255,
-1.7549270391464233,
3.3043220043182373,
3.826756000518799,
0.9303789734840393,
3.143... | [
-706254
] | [
28.24797821044922,
-78.97674560546875,
-66.03355407714844,
-14.594612121582031,
33.83219909667969,
40.5294189453125,
53.86882781982422,
5.352599143981934,
30.52031707763672,
22.50139617919922,
-8.65575122833252,
-21.153602600097656,
4.254540920257568,
-6.328063011169434,
-33.224163055419... |
[H:27][c:12]1[c:13]([c:15]([c:17]([c:16]([c:14]1[H:29])[H:31])[C:9]2=[N:4][C:6](=[O:1])[C:10](=[C:11]([C:21]2([H:37])[H:38])[H:26])[O:5][H:25])[H:30])[H:28].[H:45][C@@:24]([C:8](=[O:3])[N:18]([H:32])[C:22]([H:39])([H:40])[H:41])([C:23]([H:42])([H:43])[H:44])[N:19]([H:33])[C:7](=[O:2])[C:20]([H:34])([H:35])[H:36] | [
-0.4831770062446594,
-0.4854710102081299,
3.3260788917541504,
1.5366590023040771,
-4.809350967407227,
-2.640733003616333,
0.04642900079488754,
-0.7687550187110901,
-1.6149170398712158,
-0.8869820237159729,
1.3991880416870117,
2.164189100265503,
-2.9570529460906982,
-0.6042640209197998,
4... | [
-706359.125
] | [
-9.892694473266602,
5.80211067199707,
0.1886795461177826,
-8.914825439453125,
2.468543767929077,
-3.0308151245117188,
3.9533767700195312,
-10.474302291870117,
7.272727966308594,
-29.524900436401367,
46.76112747192383,
-18.757627487182617,
23.36996841430664,
5.79341983795166,
-16.18408203... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
1.9690330028533936,
2.502497911453247,
2.0280330181121826,
-0.4468649923801422,
0.10731899738311768,
-0.8654490113258362,
-1.0817619562149048,
1.2597850561141968,
1.6586610078811646,
1.8983230590820312,
-1.2880079746246338,
4.540917873382568,
2.162980079650879,
2.812177896499634,
-3.5052... | [
-706250.3125
] | [
24.708921432495117,
47.46930694580078,
16.847057342529297,
52.40187072753906,
29.88829803466797,
-19.829416275024414,
9.70860481262207,
-11.9793062210083,
-36.827552795410156,
-13.76684284210205,
17.441003799438477,
-51.516204833984375,
12.960596084594727,
-38.010719299316406,
-39.267673... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
0.2788139879703522,
1.7558660507202148,
2.2584409713745117,
-1.291303038597107,
-0.7396559715270996,
3.9207239151000977,
1.3760290145874023,
0.8237760066986084,
-6.201508045196533,
1.0253310203552246,
-0.8672119975090027,
7.951625823974609,
-0.24855199456214905,
0.6737149953842163,
2.357... | [
-706332.4375
] | [
15.947968482971191,
18.068315505981445,
-0.5634487867355347,
-7.185378074645996,
-15.516252517700195,
-3.4037511348724365,
-22.60150146484375,
-8.55424690246582,
46.918312072753906,
1.242487907409668,
-11.826102256774902,
0.39592668414115906,
14.813352584838867,
21.742061614990234,
-67.3... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
1.410431981086731,
1.4494940042495728,
1.6449010372161865,
1.7534559965133667,
-1.196776032447815,
-0.6784700155258179,
-0.8992059826850891,
-0.7503529787063599,
0.17337700724601746,
-2.8017899990081787,
2.7668380737304688,
3.6575050354003906,
4.101792812347412,
2.8234739303588867,
-2.17... | [
-706309
] | [
7.6864800453186035,
-14.538362503051758,
-13.10218334197998,
-3.7960941791534424,
35.08020782470703,
2.1448774337768555,
5.084206581115723,
39.086822509765625,
-13.932058334350586,
15.435688018798828,
10.587994575500488,
5.507051467895508,
-7.9535627365112305,
2.4633677005767822,
4.47652... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
-1.337414026260376,
-1.3702600002288818,
-0.4123530089855194,
1.3002769947052002,
-1.4076149463653564,
-2.6710469722747803,
2.0982320308685303,
3.870227098464966,
5.56030797958374,
-0.7172099947929382,
0.5980430245399475,
-7.211788177490234,
-0.15120600163936615,
-1.4897090196609497,
-0.... | [
-706315.9375
] | [
38.69123077392578,
-9.473756790161133,
-25.006614685058594,
-68.64903259277344,
-7.7503557205200195,
40.37168502807617,
-8.540328025817871,
-21.654327392578125,
-32.35622024536133,
-35.17588424682617,
-42.98311233520508,
-65.65858459472656,
-91.24531555175781,
35.02269744873047,
80.99748... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
-2.300981044769287,
0.4803520143032074,
0.24451200664043427,
2.0028769969940186,
1.321010947227478,
1.104477047920227,
0.21416699886322021,
-0.35780298709869385,
2.496634006500244,
-0.5473210215568542,
-3.616208076477051,
-1.4094949960708618,
0.6083099842071533,
4.898647785186768,
-1.112... | [
-706248.8125
] | [
-76.23429870605469,
59.527496337890625,
35.400421142578125,
-127.09860229492188,
17.650991439819336,
-59.880615234375,
-6.3560471534729,
-11.095891952514648,
-5.084270477294922,
-30.90287971496582,
18.37958526611328,
-13.44460391998291,
-1.0261775255203247,
12.64765453338623,
-16.8798599... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
2.12426495552063,
2.4489879608154297,
-0.3346399962902069,
-1.135640025138855,
3.5779080390930176,
0.40849000215530396,
0.34356701374053955,
-6.014149188995361,
-0.32577401399612427,
-1.0389130115509033,
8.844761848449707,
0.31523099541664124,
0.9831740260124207,
2.3506360054016113,
0.13... | [
-706342.375
] | [
-37.41667556762695,
-20.97370719909668,
21.993009567260742,
26.821224212646484,
-17.087209701538086,
-7.333868980407715,
-28.799171447753906,
-44.76008224487305,
-6.31272554397583,
8.732170104980469,
-5.708003997802734,
7.3252387046813965,
3.266430616378784,
0.30561691522598267,
-15.0464... |
[H:27][c:9]1[c:10]([c:12]([c:14]([c:13]([c:11]1[H:29])[H:31])[C@@:24]2([C:6](=[O:1])[N:3]=[C:8]([N:15]([C:7]2=[O:2])[H:32])[O:4][H:25])[N:16]3[C:18]([C:21]([C:23]([C:22]([C:19]3([H:37])[H:38])([H:43])[H:44])([H:45])[C:20]([H:39])([H:40])[C:17]([H:33])([H:34])[O:5][H:26])([H:41])[H:42])([H:35])[H:36])[H:30])[H:28] | [
1.8882369995117188,
-1.7879600524902344,
2.091855049133301,
-2.429373025894165,
-0.786666989326477,
0.7668020129203796,
0.40274301171302795,
-3.382328987121582,
1.7630200386047363,
-1.0373560190200806,
-4.9250688552856445,
1.7404329776763916,
0.23830999433994293,
6.0399699211120605,
1.12... | [
-706332.125
] | [
-31.811492919921875,
12.671791076660156,
-3.320984363555908,
25.658971786499023,
18.788244247436523,
7.172551155090332,
36.76841735839844,
45.59669876098633,
-5.280041217803955,
-65.49567413330078,
-33.3641242980957,
-5.16852331161499,
0.8438551425933838,
-1.7968082427978516,
-11.1472682... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
1.2608939409255981,
2.5318970680236816,
-1.4234249591827393,
1.0792310237884521,
-0.9622690081596375,
1.6369999647140503,
0.40000998973846436,
1.8277009725570679,
1.4667500257492065,
-3.4334750175476074,
2.0084540843963623,
-1.0130929946899414,
5.509644031524658,
-0.3566940128803253,
0.4... | [
-706260.5
] | [
6.694631099700928,
-9.37905216217041,
-10.421954154968262,
67.48445129394531,
11.13764476776123,
-92.17327117919922,
18.547752380371094,
-23.869436264038086,
-11.574207305908203,
-7.189858436584473,
-74.28311157226562,
18.372634887695312,
-17.65042495727539,
1.3201556205749512,
4.0970435... |
[H:27][c:9]1[c:10]([c:12]([c:14]([c:13]([c:11]1[H:29])[H:31])[C@@:24]2([C:6](=[O:1])[N:3]=[C:8]([N:15]([C:7]2=[O:2])[H:32])[O:4][H:25])[N:16]3[C:18]([C:21]([C:23]([C:22]([C:19]3([H:37])[H:38])([H:43])[H:44])([H:45])[C:20]([H:39])([H:40])[C:17]([H:33])([H:34])[O:5][H:26])([H:41])[H:42])([H:35])[H:36])[H:30])[H:28] | [
4.256102085113525,
0.5876650214195251,
0.06572099775075912,
1.5532230138778687,
-2.051819086074829,
2.7176458835601807,
3.866034984588623,
1.1604419946670532,
2.1762828826904297,
3.7520740032196045,
1.5907690525054932,
4.335676193237305,
-3.941675901412964,
3.2672269344329834,
1.85452902... | [
-706280.3125
] | [
-42.2376594543457,
-36.94795608520508,
27.765108108520508,
24.50048065185547,
69.16645812988281,
-64.19442749023438,
-34.61023712158203,
-24.998252868652344,
-8.684852600097656,
-35.653995513916016,
-36.348663330078125,
52.16716766357422,
1.3354195356369019,
31.720083236694336,
32.100841... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
1.3182719945907593,
-1.1917619705200195,
1.5058790445327759,
1.5621390342712402,
-2.411686897277832,
-1.7108060121536255,
-2.578434944152832,
6.7562689781188965,
0.5360519886016846,
3.4861700534820557,
-7.507883071899414,
0.10781999677419662,
1.1418999433517456,
-1.1809860467910767,
0.27... | [
-706374.5
] | [
-7.415988445281982,
1.3874568939208984,
-31.933422088623047,
-11.404997825622559,
22.024585723876953,
-21.60443687438965,
0.184621661901474,
-32.38909149169922,
-19.585229873657227,
-25.592636108398438,
23.89055633544922,
-11.755380630493164,
-13.246953010559082,
49.329689025878906,
62.6... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
-0.25799301266670227,
2.3883659839630127,
-0.5216429829597473,
-1.5204180479049683,
0.614234983921051,
-3.2302908897399902,
4.058563232421875,
-1.2429779767990112,
5.546110153198242,
-3.4367148876190186,
4.617463111877441,
-0.8638150095939636,
-0.41339799761772156,
1.4077179431915283,
-1... | [
-706378.0625
] | [
-5.686398506164551,
-7.485599517822266,
-19.934547424316406,
8.378702163696289,
-12.322766304016113,
5.626210689544678,
-6.81449031829834,
-6.813447952270508,
-29.268461227416992,
21.059513092041016,
-8.990327835083008,
34.52082061767578,
21.177976608276367,
15.279332160949707,
75.477134... |
[H:26][c:8]1[c:12]2[c:11]3[c:13]([c:9]([c:10]1[N:14]([H:28])[C:5](=[O:1])[C:6](=[O:2])[N:15]([H:29])[C:21]([H:38])([H:39])[C:23]([H:42])([H:43])[C:17]([H:30])([H:31])[O:4][H:25])[H:27])[C:20]([C:24]([C:22]([N:16]3[C:7](=[O:3])[C:18]([C:19]2([H:34])[H:35])([H:32])[H:33])([H:40])[H:41])([H:44])[H:45])([H:36])[H:37] | [
2.216438055038452,
1.2291409969329834,
1.8962539434432983,
-0.2379170060157776,
-0.026838000863790512,
4.006124973297119,
0.5076289772987366,
1.4086459875106812,
-6.275700092315674,
2.771723985671997,
-1.785823941230774,
8.082380294799805,
1.1094160079956055,
0.83160799741745,
2.26712298... | [
-706378.75
] | [
-15.735300064086914,
-10.854473114013672,
14.636711120605469,
30.68656349182129,
7.3097615242004395,
-13.26512336730957,
-16.02927017211914,
-0.06531265377998352,
2.1807308197021484,
-5.902787208557129,
7.107964038848877,
6.376514434814453,
43.49126052856445,
28.028051376342773,
-50.2115... |
[H:27][c:9]1[c:10]([c:12]([c:14]([c:13]([c:11]1[H:29])[H:31])[C@@:24]2([C:6](=[O:1])[N:3]=[C:8]([N:15]([C:7]2=[O:2])[H:32])[O:4][H:25])[N:16]3[C:18]([C:21]([C:23]([C:22]([C:19]3([H:37])[H:38])([H:43])[H:44])([H:45])[C:20]([H:39])([H:40])[C:17]([H:33])([H:34])[O:5][H:26])([H:41])[H:42])([H:35])[H:36])[H:30])[H:28] | [
0.171083003282547,
-0.5410770177841187,
3.4152820110321045,
-0.7518659830093384,
-2.0656919479370117,
-0.991936981678009,
-0.7923790216445923,
-2.4392480850219727,
3.011122941970825,
-1.7475800514221191,
-4.3550190925598145,
2.7065629959106445,
-0.47556400299072266,
6.815839767456055,
-0... | [
-706337.3125
] | [
5.158278942108154,
-3.0590293407440186,
-51.67975997924805,
13.668699264526367,
35.73237991333008,
6.037228584289551,
13.116905212402344,
5.021681785583496,
-52.219608306884766,
-12.038877487182617,
-15.100521087646484,
-27.704500198364258,
9.614389419555664,
37.41498947143555,
6.0358266... |
[H:25][c:8]1[c:9]([c:11]([c:13]2[c:12]([c:10]1[H:27])[N:2]=[C:7]([C@:16]([O:3]2)([H:29])[C:6](=[O:1])[N:14]3[C:21]([C:17]([O:4][C:18]([C:22]3([H:40])[H:41])([H:32])[H:33])([H:30])[H:31])([H:38])[H:39])[N:15]4[C:23]([C:19]([O:5][C:20]([C:24]4([H:44])[H:45])([H:36])[H:37])([H:34])[H:35])([H:42])[H:43])[H:28])[H:26] | [
0.735954999923706,
0.050624001771211624,
3.0570099353790283,
1.7655960321426392,
1.3731720447540283,
-1.1556049585342407,
0.014511000365018845,
2.562930107116699,
0.7306410074234009,
-3.214271068572998,
-1.8466449975967407,
1.0227940082550049,
3.6611509323120117,
-2.6492300033569336,
1.1... | [
-706247.5625
] | [
24.90320587158203,
-6.502254009246826,
-15.335420608520508,
-24.003204345703125,
17.31439781188965,
22.72002601623535,
-16.90435218811035,
-37.05164337158203,
54.87113952636719,
-15.916817665100098,
-3.902310609817505,
5.53725528717041,
14.845139503479004,
22.247989654541016,
-47.3665885... |
[H:27][c:10]1[c:11]([c:13]([c:15]2[c:14]([c:12]1[H:29])[C:8](=[C:9]([N:16]2[H:31])[C:5](=[O:1])[O:4][H:25])[H:26])[H:30])[H:28].[H:45][C@:24]1([C:23]([C:22]([C:21]([N:18]1[C:6](=[O:2])[C:19]([H:33])([H:34])[H:35])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:7](=[O:3])[N:17]([H:32])[C:20]([H:36])([H:37])[H:38] | [
4.096408843994141,
4.116587162017822,
2.2871689796447754,
-0.3535880148410797,
-3.6318418979644775,
1.5933640003204346,
-3.857342004776001,
-1.1052769422531128,
0.5123580098152161,
4.477883815765381,
1.9068750143051147,
2.5406980514526367,
3.8132100105285645,
2.9617760181427,
2.028584957... | [
-706386.4375
] | [
-1.0580333471298218,
-21.907453536987305,
14.959349632263184,
-5.268010139465332,
3.1305899620056152,
7.105191707611084,
7.302295207977295,
1.6575939655303955,
5.041412830352783,
-10.49835205078125,
3.667585611343384,
-3.6510634422302246,
17.01811408996582,
33.48695755004883,
-3.95300078... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.