smiles stringlengths 10 765 | coords listlengths 6 330 | energy listlengths 1 1 | forces listlengths 6 330 |
|---|---|---|---|
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
6.149526119232178,
-0.44624099135398865,
3.023616075515747,
0.2620280086994171,
1.3248779773712158,
-0.017611000686883926,
0.6217979788780212,
0.30869200825691223,
0.9299719929695129,
-0.5417330265045166,
-0.18599799275398254,
1.4327679872512817,
-2.952903985977173,
0.3119960129261017,
0... | [
-672441.4375
] | [
-2.4207398891448975,
-21.617319107055664,
14.401888847351074,
42.994483947753906,
38.57160568237305,
-55.96672439575195,
0.6019986271858215,
39.89351272583008,
-37.12257766723633,
15.588777542114258,
-10.928434371948242,
34.53957748413086,
3.100040912628174,
-48.034141540527344,
3.640546... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
-1.943099021911621,
-2.7694149017333984,
-4.344714164733887,
1.1563299894332886,
0.10720899701118469,
1.2666569948196411,
0.5660549998283386,
0.7087770104408264,
-0.010877000167965889,
0.5341070294380188,
2.0913000106811523,
0.10269899666309357,
1.0684770345687866,
3.3530850410461426,
2.... | [
-672427.6875
] | [
5.44596004486084,
13.224711418151855,
5.862763404846191,
-15.85052490234375,
-12.030744552612305,
-61.34339141845703,
15.276633262634277,
-34.014625549316406,
45.60248565673828,
3.9258408546447754,
-49.77770233154297,
20.621742248535156,
-32.57679748535156,
28.54898452758789,
78.98750305... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
1.9289820194244385,
4.195242881774902,
0.35116299986839294,
-1.1252779960632324,
0.5250909924507141,
-1.3818999528884888,
-0.4502289891242981,
1.0892820358276367,
-0.4290919899940491,
1.8073760271072388,
1.6796770095825195,
1.2402349710464478,
0.17680999636650085,
0.043898001313209534,
0... | [
-672459.625
] | [
-23.25448226928711,
-18.055320739746094,
-3.859874725341797,
-47.92485046386719,
18.997478485107422,
6.70556640625,
33.505950927734375,
-38.88420867919922,
-9.276838302612305,
-49.472259521484375,
-18.639122009277344,
-37.70916748046875,
71.6514663696289,
56.63625717163086,
77.5305786132... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
-4.274624824523926,
1.4374209642410278,
-0.9394279718399048,
-0.4275369942188263,
-0.8954359889030457,
1.511705994606018,
-1.0074089765548706,
-0.11847800016403198,
0.6106330156326294,
-1.6474080085754395,
1.5365849733352661,
-1.4771499633789062,
0.024965999647974968,
0.40664100646972656,
... | [
-672460.625
] | [
-17.931055068969727,
-0.5605862140655518,
9.965917587280273,
-93.94442749023438,
6.681764602661133,
13.173015594482422,
53.69851303100586,
-3.094047784805298,
10.239496231079102,
-16.869041442871094,
-31.287006378173828,
49.710201263427734,
12.638513565063477,
-37.35978698730469,
11.7805... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
0.6794390082359314,
4.319345951080322,
1.80805504322052,
-0.8612669706344604,
0.6037790179252625,
-1.5266449451446533,
-0.35364899039268494,
1.0603790283203125,
-0.4050059914588928,
0.9367700219154358,
1.6553640365600586,
1.9856280088424683,
0.15567700564861298,
-0.03555599972605705,
0.4... | [
-672490.375
] | [
-8.79354476928711,
-11.355627059936523,
-18.71084213256836,
-13.2670259475708,
50.98527526855469,
-7.966306686401367,
15.534314155578613,
-12.450069427490234,
6.970727920532227,
-19.821247100830078,
-27.498870849609375,
-4.946791172027588,
3.1134822368621826,
11.303485870361328,
23.66640... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
3.8043808937072754,
-1.173933982849121,
-4.631998062133789,
0.08620099723339081,
-0.08570700138807297,
1.211359977722168,
0.6169959902763367,
0.7854499816894531,
0.14342999458312988,
0.19176700711250305,
2.0961101055145264,
0.39711499214172363,
-1.0776640176773071,
2.8673300743103027,
2.... | [
-672471.875
] | [
1.5061516761779785,
4.48924446105957,
-3.2469427585601807,
34.62977600097656,
4.119880199432373,
-26.887163162231445,
-21.50611686706543,
-10.215205192565918,
16.990537643432617,
12.451961517333984,
-23.451171875,
5.9992146492004395,
-17.41091537475586,
-7.872861385345459,
37.01591491699... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
4.143424987792969,
-2.110275983810425,
0.3476940095424652,
-0.7184720039367676,
-0.9375489950180054,
-1.5478819608688354,
0.3452099859714508,
-0.9604009985923767,
-0.7562999725341797,
2.289423942565918,
-0.40822601318359375,
1.1398409605026245,
0.2069929987192154,
0.13651199638843536,
0.... | [
-672463.875
] | [
-49.1306266784668,
-5.263689041137695,
-16.122880935668945,
26.731172561645508,
-51.09086608886719,
-20.041786193847656,
-48.506065368652344,
50.32622146606445,
38.53053283691406,
44.30132293701172,
-51.9202995300293,
-15.649747848510742,
-4.1496076583862305,
-0.8507934212684631,
-35.337... |
[H:26][c:11]1[c:9]([c:13]([c:10]([c:12]([c:14]1[C:7]2=[C:8]3[N:16]([C:20]([C:22]([C@:23]([O:4]3)([H:41])[C:17]([H:28])([H:29])[H:30])([H:39])[H:40])([H:35])[H:36])[N:3]=[C:6]2[C:5](=[O:1])[N:15]4[C:18]([C:21]([C:19]4([H:33])[H:34])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25])[Cl:2])[H:24] | [
-0.7344080209732056,
1.1926250457763672,
2.6338400840759277,
-2.563667058944702,
-4.6100029945373535,
4.039093017578125,
0.3918899893760681,
1.3480780124664307,
-0.7455120086669922,
-0.08744499832391739,
-2.040168046951294,
-1.7555099725723267,
-0.08476100116968155,
1.6183689832687378,
1... | [
-899481.9375
] | [
31.627670288085938,
17.639511108398438,
-61.85420227050781,
-9.307445526123047,
14.111936569213867,
-9.036131858825684,
36.93547821044922,
45.20783996582031,
-63.631431579589844,
25.210752487182617,
30.46902847290039,
-34.04222106933594,
-5.924082279205322,
37.66607666015625,
107.3349151... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
5.263078212738037,
-3.119189977645874,
-1.0270529985427856,
0.16473700106143951,
1.1945339441299438,
-0.11201900243759155,
0.7906510233879089,
0.27417299151420593,
0.9573659896850586,
-0.058632999658584595,
0.17417599260807037,
2.0332388877868652,
-2.432410955429077,
1.3475710153579712,
... | [
-672437.9375
] | [
-5.942199230194092,
-0.3407919108867645,
3.504376173019409,
22.8300724029541,
-57.411251068115234,
92.79231262207031,
-53.22090530395508,
54.065555572509766,
-17.904754638671875,
-11.641480445861816,
37.756324768066406,
-77.30236053466797,
33.92008590698242,
-14.61921215057373,
-29.78232... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
-4.788506984710693,
1.596479058265686,
-2.6379098892211914,
0.7571250200271606,
1.0331660509109497,
1.4351869821548462,
0.44669198989868164,
0.4429120123386383,
0.043421000242233276,
1.413856029510498,
-0.38875100016593933,
-0.42379799485206604,
3.5665149688720703,
-1.014417052268982,
0.... | [
-672442.375
] | [
-31.05612564086914,
8.286123275756836,
-16.57765769958496,
-33.64823532104492,
-18.120588302612305,
-53.594600677490234,
-52.19658279418945,
51.318397521972656,
51.384918212890625,
19.56200408935547,
32.75399398803711,
38.301204681396484,
49.6579475402832,
5.4641008377075195,
24.89761734... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
1.9654719829559326,
2.82566499710083,
3.338552951812744,
0.37277400493621826,
1.2248430252075195,
-1.4249320030212402,
0.6381610035896301,
1.054291009902954,
-0.05471000075340271,
0.670324981212616,
0.44338899850845337,
2.670559883117676,
-0.02207300066947937,
-0.18363800644874573,
0.455... | [
-672456.6875
] | [
-9.716379165649414,
-33.662837982177734,
-27.278417587280273,
25.732234954833984,
28.30968475341797,
77.9276123046875,
-37.429908752441406,
-41.1854248046875,
-41.42875289916992,
17.076997756958008,
13.655190467834473,
-32.32742691040039,
59.21351623535156,
30.355131149291992,
-48.018306... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
5.724849224090576,
-3.133826971054077,
-0.14941400289535522,
0.1486929953098297,
1.3180439472198486,
-0.20455199480056763,
0.6312850117683411,
0.12914299964904785,
0.5057520270347595,
-0.2982630133628845,
-0.19268399477005005,
1.487568974494934,
-2.345180034637451,
1.2564949989318848,
2.... | [
-672471.1875
] | [
-11.641793251037598,
8.601523399353027,
-5.0884623527526855,
28.345970153808594,
-21.381933212280273,
6.094587802886963,
-22.287025451660156,
12.620302200317383,
5.583396911621094,
2.4330902099609375,
33.09581756591797,
-26.438215255737305,
-11.124248504638672,
51.03683090209961,
-28.121... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
-2.158921003341675,
-3.7498810291290283,
-3.2983500957489014,
0.6825399994850159,
0.4226590096950531,
1.494465947151184,
0.17112000286579132,
0.6498330235481262,
0.16145199537277222,
0.4975680112838745,
1.9424519538879395,
-0.1960899978876114,
1.919409990310669,
3.6852340698242188,
1.191... | [
-672472.9375
] | [
4.792604923248291,
19.037479400634766,
4.0939106941223145,
-6.58468770980835,
-13.205357551574707,
-8.051222801208496,
10.24610710144043,
4.594187259674072,
15.65514087677002,
12.490254402160645,
2.460197925567627,
14.373567581176758,
16.10251808166504,
-42.347694396972656,
63.5597801208... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
-0.598904013633728,
3.4857449531555176,
-2.985866069793701,
1.8020930290222168,
0.2714979946613312,
0.15080800652503967,
0.7184919714927673,
0.631060004234314,
-0.5641030073165894,
-1.7406220436096191,
1.6888129711151123,
-1.411255955696106,
-0.5136150121688843,
0.0859609991312027,
-0.00... | [
-672472.125
] | [
5.1139326095581055,
7.005276679992676,
-12.152286529541016,
-7.467031002044678,
31.151506423950195,
-68.54888916015625,
23.972530364990234,
36.250946044921875,
40.627933502197266,
-11.906963348388672,
-29.02002716064453,
18.851041793823242,
0.15342271327972412,
-29.49117088317871,
-52.35... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
-1.3495750427246094,
-0.6109380125999451,
-4.447871208190918,
-1.673874020576477,
-0.5741509795188904,
0.672415018081665,
-1.0546480417251587,
-0.2898780107498169,
-0.44322600960731506,
0.5318830013275146,
0.18382999300956726,
-2.6630051136016846,
0.2813830077648163,
0.22968600690364838,
... | [
-672493.1875
] | [
4.463381767272949,
5.078730583190918,
28.57874298095703,
-7.102126598358154,
-5.353294372558594,
-7.202107906341553,
-3.824183940887451,
-5.682686805725098,
4.2592854499816895,
15.297720909118652,
14.95296859741211,
14.261743545532227,
21.145647048950195,
7.991054534912109,
-40.712184906... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
1.4106589555740356,
-2.7475059032440186,
-4.903030872344971,
1.2044219970703125,
1.0928599834442139,
1.0443110466003418,
0.20156900584697723,
0.276542991399765,
0.25410598516464233,
-0.9839619994163513,
0.47724100947380066,
0.7838349938392639,
-1.450181007385254,
2.118767023086548,
3.006... | [
-672438.75
] | [
-10.349319458007812,
16.186811447143555,
26.66107749938965,
-13.197016716003418,
-19.606422424316406,
-34.41908264160156,
84.83309936523438,
18.335697174072266,
-16.625957489013672,
-89.87335968017578,
42.520328521728516,
49.287574768066406,
17.59285545349121,
-10.739803314208984,
13.387... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
3.8730781078338623,
-4.553927898406982,
-1.0512750148773193,
-0.28491100668907166,
1.1385289430618286,
-0.2357410043478012,
0.250993013381958,
-0.044415999203920364,
0.4643230140209198,
0.08854000270366669,
0.3202730119228363,
1.7881120443344116,
-0.7425249814987183,
2.4215450286865234,
... | [
-672430.4375
] | [
-2.556070566177368,
7.224057197570801,
11.713019371032715,
32.713626861572266,
-58.16587448120117,
-89.32283782958984,
-28.72622299194336,
84.29489135742188,
14.34860897064209,
33.42325210571289,
-42.94063949584961,
27.117446899414062,
-21.772052764892578,
86.47795867919922,
-41.98177719... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
2.244457960128784,
2.141200065612793,
3.516545057296753,
0.5430999994277954,
-1.7893669605255127,
0.5908539891242981,
0.8052250146865845,
-0.5427119731903076,
0.8625140190124512,
0.8679389953613281,
2.233536958694458,
1.2205599546432495,
0.16926099359989166,
0.3791329860687256,
-0.128626... | [
-672475.25
] | [
-7.216431140899658,
-20.399431228637695,
-16.072057723999023,
-22.060882568359375,
-5.893631458282471,
-3.4210782051086426,
-28.0532283782959,
24.50276756286621,
-8.420462608337402,
-3.6525862216949463,
4.3824896812438965,
-14.788164138793945,
15.766356468200684,
27.403921127319336,
12.5... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
2.1228768825531006,
2.968308925628662,
-2.9236960411071777,
-1.7279889583587646,
0.8465840220451355,
-0.43391698598861694,
-0.3996270000934601,
0.9705060124397278,
-0.6255549788475037,
2.372457981109619,
0.899196982383728,
-1.1440529823303223,
0.35169199109077454,
-0.061138998717069626,
... | [
-672447.4375
] | [
-7.285970211029053,
-2.448697805404663,
31.185699462890625,
59.017906188964844,
18.847381591796875,
-8.181487083435059,
-49.50370788574219,
23.3934326171875,
-7.376680850982666,
-123.13543701171875,
6.67179536819458,
51.760311126708984,
81.05907440185547,
-54.25114059448242,
11.231473922... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
1.6876909732818604,
-3.8334391117095947,
-1.9841630458831787,
-1.8275309801101685,
-0.545524001121521,
-0.045423999428749084,
-0.6273120045661926,
-1.0311199426651,
-0.2724199891090393,
2.1389451026916504,
-1.5825940370559692,
-0.5416340231895447,
0.3981580138206482,
-0.003157000057399273,... | [
-672464.875
] | [
-0.3149208724498749,
6.094409942626953,
10.107534408569336,
-3.993762254714966,
-64.22257232666016,
-37.025428771972656,
49.639076232910156,
29.73772430419922,
-12.485787391662598,
11.18680191040039,
10.036690711975098,
-16.43545150756836,
49.73799514770508,
-59.09212875366211,
-15.60445... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
4.377885818481445,
-0.8767539858818054,
-4.209965229034424,
0.4553219974040985,
-0.009062999859452248,
1.2545839548110962,
0.42444899678230286,
0.5906370282173157,
-0.030571000650525093,
-0.3968760073184967,
1.7413020133972168,
0.02258400060236454,
-1.8917690515518188,
2.455394983291626,
... | [
-672445.8125
] | [
18.49208641052246,
-7.713019847869873,
-8.461343765258789,
-2.4320929050445557,
-34.95122528076172,
31.962383270263672,
-8.115080833435059,
43.74201965332031,
33.34038162231445,
11.239558219909668,
-110.6704330444336,
91.6971206665039,
42.14619445800781,
-74.86603546142578,
23.8874416351... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
-4.234687805175781,
-1.4843389987945557,
1.439816951751709,
0.9370099902153015,
-0.9807419776916504,
1.3907849788665771,
-0.31123098731040955,
-0.7286499738693237,
0.8859050273895264,
-2.7511379718780518,
-0.2887069880962372,
-0.38707900047302246,
-0.29603201150894165,
-0.03520600125193596... | [
-672467.625
] | [
12.155375480651855,
-1.983859658241272,
11.058009147644043,
-67.10493469238281,
2.228966474533081,
-6.979892253875732,
19.45528221130371,
-38.480316162109375,
62.79965591430664,
86.50105285644531,
7.274385929107666,
10.595602989196777,
-67.63802337646484,
26.521011352539062,
-30.89742851... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
4.314648151397705,
3.0613958835601807,
-3.9705638885498047,
-0.3436720073223114,
0.981365978717804,
0.9267160296440125,
1.0400209426879883,
0.5241739749908447,
0.48353299498558044,
1.33011794090271,
-0.4358910024166107,
1.3922979831695557,
-0.08354999870061874,
-1.5572370290756226,
3.242... | [
-672445.375
] | [
-23.847713470458984,
-12.022150993347168,
30.926984786987305,
37.14332962036133,
14.10832405090332,
-74.8111572265625,
-78.43818664550781,
-0.033469799906015396,
70.14460754394531,
55.28007507324219,
-28.596010208129883,
12.851673126220703,
-103.84649658203125,
24.3873233795166,
0.687442... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
-2.123260974884033,
1.0808780193328857,
-4.009244918823242,
-1.0490210056304932,
-1.490854024887085,
0.2888549864292145,
-0.8202409744262695,
-0.46909499168395996,
-0.5256189703941345,
-0.2784239947795868,
1.5713249444961548,
-2.131279945373535,
0.07190199941396713,
0.4889160096645355,
-... | [
-672470.6875
] | [
14.896498680114746,
-17.476743698120117,
15.718890190124512,
-9.049342155456543,
8.567626953125,
-12.486315727233887,
-69.61363983154297,
-63.18912124633789,
-38.064090728759766,
37.17980194091797,
52.12453842163086,
-10.057211875915527,
17.703523635864258,
34.16361618041992,
-39.3506355... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
2.265974998474121,
1.9478260278701782,
3.605034112930298,
0.754705011844635,
1.1415899991989136,
-1.2635140419006348,
0.71287602186203,
0.9262530207633972,
0.047269999980926514,
0.5138459801673889,
0.1544709950685501,
2.7145121097564697,
-0.17488199472427368,
-0.11294200271368027,
0.3867... | [
-672490.75
] | [
4.232792854309082,
11.126827239990234,
-3.666532516479492,
20.389373779296875,
30.44020652770996,
19.841096878051758,
10.653564453125,
26.427766799926758,
-27.415573120117188,
-16.048795700073242,
-5.839591026306152,
-26.964998245239258,
-28.542360305786133,
-52.6732063293457,
30.6027393... |
[H:26][c:11]1[c:9]([c:13]([c:10]([c:12]([c:14]1[C:7]2=[C:8]3[N:16]([C:20]([C:22]([C@:23]([O:4]3)([H:41])[C:17]([H:28])([H:29])[H:30])([H:39])[H:40])([H:35])[H:36])[N:3]=[C:6]2[C:5](=[O:1])[N:15]4[C:18]([C:21]([C:19]4([H:33])[H:34])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25])[Cl:2])[H:24] | [
1.258389949798584,
0.4653739929199219,
2.752156972885132,
-3.844857931137085,
-3.3190081119537354,
4.474636077880859,
1.22359299659729,
0.7387480139732361,
-0.7993059754371643,
-1.1332600116729736,
-1.808840036392212,
-1.7672170400619507,
1.328794002532959,
1.0289570093154907,
1.66588699... | [
-899535.9375
] | [
-12.266347885131836,
-5.6299309730529785,
-11.21025562286377,
15.900690078735352,
18.317787170410156,
-18.142610549926758,
1.238560438156128,
-7.632379531860352,
-9.471094131469727,
23.14446449279785,
23.498428344726562,
16.034120559692383,
36.64665222167969,
15.041080474853516,
24.50498... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
-3.972040891647339,
-3.3193519115448,
-1.6055059432983398,
0.7715039849281311,
0.6546580195426941,
1.491495966911316,
0.2543329894542694,
0.6401360034942627,
0.09869500249624252,
1.0008970499038696,
1.502606987953186,
-0.6804900169372559,
2.97284197807312,
2.974437952041626,
0.1341519951... | [
-672470.5
] | [
7.9378862380981445,
8.37833309173584,
-0.26171308755874634,
-26.603412628173828,
-13.452601432800293,
-41.509986877441406,
-1.235138177871704,
-7.527695178985596,
25.944643020629883,
-27.38669776916504,
-23.306522369384766,
16.133081436157227,
13.429137229919434,
-7.347510814666748,
49.9... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
-2.821319103240967,
-2.9718589782714844,
-3.793313980102539,
0.33306801319122314,
1.6762750148773193,
0.9009320139884949,
0.4827429950237274,
0.27585700154304504,
0.23308299481868744,
1.7265880107879639,
-0.21914799511432648,
0.6421380043029785,
3.07682204246521,
0.6531969904899597,
2.59... | [
-672444
] | [
-10.029701232910156,
4.592360019683838,
-2.4673426151275635,
-10.748334884643555,
-76.16187286376953,
-46.706703186035156,
10.304394721984863,
38.81990051269531,
8.818806648254395,
-47.72080993652344,
27.01178741455078,
11.499674797058105,
33.87565994262695,
13.6827974319458,
61.86882019... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
2.4878079891204834,
3.982836961746216,
0.3024600148200989,
0.6171540021896362,
-0.6291790008544922,
1.6325730085372925,
0.708873987197876,
0.43042001128196716,
0.8639469742774963,
0.4497379958629608,
2.6204800605773926,
-0.8096420168876648,
-0.2193949967622757,
0.34695398807525635,
-0.24... | [
-672467.25
] | [
-7.494442462921143,
-15.531420707702637,
11.90963077545166,
32.11344909667969,
16.74471664428711,
18.903841018676758,
-14.58604907989502,
-21.86089515686035,
7.333854675292969,
-0.2926226854324341,
-33.904850006103516,
1.1430069208145142,
-10.031881332397461,
31.46431541442871,
-59.53911... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
2.597727060317993,
3.846630096435547,
-0.2672649919986725,
0.45461800694465637,
-0.3957679867744446,
1.7628740072250366,
0.6828849911689758,
0.5104749798774719,
0.8362320065498352,
0.6442139744758606,
2.3405380249023438,
-1.2563170194625854,
-0.1936340034008026,
0.30678901076316833,
-0.3... | [
-672488.75
] | [
4.265110015869141,
-5.337708950042725,
12.536361694335938,
55.89137268066406,
16.33245277404785,
27.144054412841797,
-22.9698486328125,
-3.176158905029297,
6.261441230773926,
16.231216430664062,
-2.360366106033325,
12.864699363708496,
8.19375228881836,
26.98713493347168,
-33.352100372314... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
-4.848776817321777,
-1.0938880443572998,
-2.3878979682922363,
1.311257004737854,
-0.1824059933423996,
0.8516349792480469,
0.16927599906921387,
0.6859959959983826,
0.4228459894657135,
0.44875800609588623,
1.984766960144043,
0.722216010093689,
2.5277340412139893,
2.876159906387329,
1.88902... | [
-672473.625
] | [
-0.13524289429187775,
-0.5743915438652039,
-2.833322525024414,
-48.21958923339844,
17.936443328857422,
-21.511743545532227,
13.387677192687988,
-37.446739196777344,
-0.16845062375068665,
-17.128372192382812,
8.792659759521484,
-5.378222465515137,
47.274696350097656,
-33.58277130126953,
3... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
-0.010724999941885471,
4.831262111663818,
5.209705829620361,
1.411829948425293,
-0.051798999309539795,
0.3083820044994354,
0.2645849883556366,
0.8095409870147705,
0.6642540097236633,
-0.7742040157318115,
0.582660973072052,
-0.2257930040359497,
-0.7880809903144836,
-1.0971699953079224,
-2... | [
-672474.75
] | [
5.6589813232421875,
-12.062520980834961,
-12.340725898742676,
-22.96038246154785,
31.90752601623535,
33.352596282958984,
18.98615837097168,
1.354742407798767,
0.678754448890686,
25.667003631591797,
6.0756940841674805,
39.339420318603516,
26.597116470336914,
-39.091209411621094,
-31.85552... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
4.034140110015869,
0.703898012638092,
-2.292227029800415,
-0.10902000218629837,
1.770105004310608,
0.608223021030426,
0.6290069818496704,
1.0162049531936646,
-0.18804900348186493,
2.01932692527771,
-0.9287440180778503,
-1.6019459962844849,
0.11594100296497345,
-0.28471100330352783,
-0.24... | [
-672490.8125
] | [
-14.346124649047852,
5.296813488006592,
8.179368019104004,
22.189678192138672,
33.34534454345703,
-5.093672752380371,
-9.195000648498535,
35.92316818237305,
8.202906608581543,
-25.289888381958008,
15.754912376403809,
25.80855369567871,
-4.365096092224121,
-52.637142181396484,
-17.7581024... |
[H:23][c:10]1[c:8]([c:12]([c:9]([c:11]([c:13]1[C:3]2=[C:4]([N:14]3[C:5](=[C:6]([N:15]([C:7]3=[C:2]2[H:17])[C:16]([H:25])([H:26])[H:27])[H:20])[H:19])[H:18])[H:24])[H:22])[Cl:1])[H:21] | [
-4.780624866485596,
-0.9708250164985657,
3.4380600452423096,
0.818343997001648,
0.15264800190925598,
-0.4621250033378601,
0.21288800239562988,
0.8754559755325317,
0.7162669897079468,
0.9420850276947021,
1.9899319410324097,
1.0605659484863281,
3.3332319259643555,
2.485743999481201,
0.0452... | [
-672447.4375
] | [
11.263242721557617,
7.0664472579956055,
-1.7356494665145874,
-33.39970016479492,
14.739184379577637,
47.813751220703125,
8.884512901306152,
-35.144596099853516,
-36.240135192871094,
-17.618511199951172,
-39.975711822509766,
-1.767029881477356,
34.58259201049805,
-7.328507900238037,
1.105... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
4.339686870574951,
-1.6858739852905273,
-0.7855449914932251,
-0.730105996131897,
-0.7557629942893982,
-1.5497729778289795,
0.41753000020980835,
-0.6901010274887085,
-0.8844990134239197,
2.716813087463379,
-0.06280799955129623,
0.6545680165290833,
0.2802259922027588,
0.18322299420833588,
... | [
-672485.8125
] | [
-23.45821189880371,
9.452452659606934,
-5.552840709686279,
37.7065544128418,
-22.478639602661133,
-8.347247123718262,
-24.523969650268555,
21.641517639160156,
-7.643702983856201,
-46.961246490478516,
3.2669594287872314,
-29.114498138427734,
48.18338394165039,
5.015750408172607,
39.343448... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
-4.606626987457275,
1.0172699689865112,
0.3350389897823334,
-0.1202320009469986,
-1.579576015472412,
1.1011329889297485,
-0.8939869999885559,
-0.6373149752616882,
0.5488499999046326,
-2.1499340534210205,
1.4776719808578491,
-0.6707980036735535,
-0.12441299855709076,
0.2812480032444,
-0.2... | [
-672491.5
] | [
20.814069747924805,
-14.913949966430664,
5.753605842590332,
-13.871009826660156,
15.031853675842285,
-16.980762481689453,
15.873616218566895,
-12.26354694366455,
19.19050407409668,
18.323863983154297,
-17.65616226196289,
12.190037727355957,
-3.32368803024292,
42.84785079956055,
-36.54684... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
2.636046886444092,
3.2361700534820557,
-2.074789047241211,
-1.6174360513687134,
0.808883011341095,
-0.47441399097442627,
-0.34602901339530945,
0.9089249968528748,
-0.6634929776191711,
2.4715158939361572,
0.8910620212554932,
-0.8724269866943359,
0.40058401226997375,
-0.1585869938135147,
-... | [
-672490.5625
] | [
-17.5866756439209,
-6.501577854156494,
-1.9141333103179932,
-27.432716369628906,
20.002216339111328,
6.005100727081299,
20.698528289794922,
8.562088012695312,
-18.375280380249023,
-56.64970397949219,
-17.71088409423828,
20.50787353515625,
86.53565216064453,
6.5893168449401855,
-6.7798452... |
[H:19][c:9]1[c:8]([c:10]([c:12]2[c:13]([c:11]1[H:21])[C:5]3=[C:7]([C:4](=[C:6]([N:14]([C:3]3=[N:2]2)[C:16]([H:25])([H:26])[H:27])[Cl:1])[H:17])[C:15]([H:22])([H:23])[H:24])[H:20])[H:18] | [
-3.7861249446868896,
2.6172471046447754,
-1.0707770586013794,
1.0252009630203247,
1.4554330110549927,
0.6752200126647949,
-0.13873900473117828,
1.1977510452270508,
0.10415100306272507,
-2.5190000534057617,
0.20085899531841278,
-0.960877001285553,
-0.26386499404907227,
-0.22353799641132355,... | [
-672490.875
] | [
39.30646514892578,
-11.502426147460938,
9.027485847473145,
-12.731962203979492,
21.73196792602539,
1.8760104179382324,
26.668996810913086,
-19.39040184020996,
0.8064282536506653,
7.582954406738281,
45.38866424560547,
4.201672077178955,
-64.90681457519531,
9.084300994873047,
-12.333609580... |
[H:26][c:11]1[c:9]([c:13]([c:10]([c:12]([c:14]1[C:7]2=[C:8]3[N:16]([C:20]([C:22]([C@@:23]([O:4]3)([H:41])[C:17]([H:28])([H:29])[H:30])([H:39])[H:40])([H:35])[H:36])[N:3]=[C:6]2[C:5](=[O:1])[N:15]4[C:18]([C:21]([C:19]4([H:33])[H:34])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25])[Cl:2])[H:24] | [
-1.5531209707260132,
-1.798077940940857,
-1.8311580419540405,
-2.083717107772827,
-4.7672648429870605,
4.043406009674072,
0.7863039970397949,
0.8568909764289856,
-1.2706300020217896,
0.8375930190086365,
0.8422579765319824,
2.3819100856781006,
-0.6111059784889221,
-1.113389015197754,
-2.1... | [
-899482.8125
] | [
4.637578964233398,
-31.11579132080078,
32.960933685302734,
2.275045156478882,
-13.540400505065918,
-0.4393502473831177,
38.1754264831543,
10.968730926513672,
2.1186885833740234,
-34.14560317993164,
-47.445396423339844,
-69.25209045410156,
-62.614742279052734,
40.13050842285156,
-47.66857... |
[H:26][c:11]1[c:9]([c:13]([c:10]([c:12]([c:14]1[C:7]2=[C:8]3[N:16]([C:20]([C:22]([C@:23]([O:4]3)([H:41])[C:17]([H:28])([H:29])[H:30])([H:39])[H:40])([H:35])[H:36])[N:3]=[C:6]2[C:5](=[O:1])[N:15]4[C:18]([C:21]([C:19]4([H:33])[H:34])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25])[Cl:2])[H:24] | [
-1.1964919567108154,
0.634119987487793,
2.6706619262695312,
3.5978879928588867,
-3.430063009262085,
4.198188781738281,
-1.0346729755401611,
0.8386269807815552,
-0.9455459713935852,
1.425887942314148,
-1.5362600088119507,
-1.7601200342178345,
-1.401183009147644,
1.154710054397583,
1.57904... | [
-899485.4375
] | [
1.8950985670089722,
-31.862146377563477,
-5.50367546081543,
24.250144958496094,
-17.78806495666504,
16.264205932617188,
-31.762676239013672,
21.288307189941406,
80.47264099121094,
-15.816404342651367,
21.930580139160156,
-25.066879272460938,
61.562564849853516,
-3.0167927742004395,
45.82... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
1.9133529663085938,
1.0264760255813599,
0.07130499929189682,
1.948820948600769,
0.28156301379203796,
-3.3950889110565186,
2.0341920852661133,
1.1195000410079956,
-2.3342669010162354,
1.3516900539398193,
0.6178600192070007,
-0.986890971660614,
-4.094363212585449,
-1.3544869422912598,
4.26... | [
-518127.40625
] | [
-1.5837434530258179,
9.270115852355957,
-23.980239868164062,
20.008127212524414,
-3.9274072647094727,
22.125694274902344,
-44.84477615356445,
-40.729976654052734,
44.11051940917969,
51.29890441894531,
5.27262020111084,
-62.066551208496094,
43.04127502441406,
-2.9579665660858154,
-7.09993... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.698632001876831,
0.39568498730659485,
-0.8180379867553711,
-1.3548469543457031,
-0.4933210015296936,
-0.30552399158477783,
0.2914929986000061,
1.5151410102844238,
-2.7156059741973877,
0.9316319823265076,
2.1796889305114746,
-0.4857980012893677,
1.1474720239639282,
2.4513189792633057,
... | [
-518173.625
] | [
-17.45879364013672,
-31.87783432006836,
18.57693862915039,
4.721616744995117,
49.040252685546875,
-17.510881423950195,
3.964449882507324,
11.377163887023926,
-51.66889953613281,
13.276466369628906,
26.164276123046875,
-43.89876174926758,
-1.6608953475952148,
4.530020236968994,
0.58567702... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
1.5161110162734985,
0.46130800247192383,
1.7249029874801636,
3.416023015975952,
-1.7641019821166992,
1.7520619630813599,
2.1763980388641357,
-1.8737430572509766,
2.1820619106292725,
1.212702989578247,
-0.7409819960594177,
2.0943069458007812,
-2.873142957687378,
4.228748798370361,
-3.5540... | [
-518130.34375
] | [
10.569131851196289,
25.370012283325195,
3.8780486583709717,
30.57372283935547,
-98.70259094238281,
20.561588287353516,
-8.761626243591309,
41.23244094848633,
-20.245948791503906,
-25.097578048706055,
55.01683807373047,
-3.915935516357422,
-64.63739776611328,
-35.68408966064453,
-58.21430... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
0.11146099865436554,
2.1481080055236816,
0.12179099768400192,
-3.246009111404419,
2.324131965637207,
-1.1833269596099854,
-1.9358839988708496,
1.8318239450454712,
-1.0989500284194946,
-1.1456869840621948,
2.069211006164551,
0.16348500549793243,
4.943926811218262,
-3.1305758953094482,
3.3... | [
-518126.21875
] | [
19.918834686279297,
-26.485849380493164,
-34.363182067871094,
44.182247161865234,
27.514751434326172,
15.941216468811035,
-80.47814178466797,
32.73601150512695,
9.42383098602295,
-17.67431640625,
21.841960906982422,
6.389235973358154,
-68.7939224243164,
45.315330505371094,
-3.24198603630... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.31189200282096863,
0.41308000683784485,
0.10645999759435654,
-0.44314199686050415,
-0.48998600244522095,
0.4376069903373718,
0.4716140031814575,
2.173893928527832,
-1.7222720384597778,
1.8907320499420166,
2.249114990234375,
0.20318199694156647,
1.122784972190857,
3.3038411140441895,
-2... | [
-518133.53125
] | [
-48.014686584472656,
-22.32270050048828,
0.4211929738521576,
18.50532341003418,
34.32770919799805,
-50.420143127441406,
37.33930206298828,
-4.584710121154785,
17.154605865478516,
20.986164093017578,
37.95965576171875,
10.500680923461914,
-13.333571434020996,
-31.176219940185547,
6.844465... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
-0.5638309717178345,
-0.25135499238967896,
0.41093799471855164,
-3.936583995819092,
0.5337560176849365,
-0.7705360054969788,
-2.985024929046631,
-0.17422300577163696,
-0.04347800090909004,
-1.6358699798583984,
0.4066460132598877,
0.02898699976503849,
7.336377143859863,
2.330238103866577,
... | [
-518183.625
] | [
-72.59036254882812,
-0.9100820422172546,
-1.4421552419662476,
32.38050842285156,
-46.830787658691406,
32.08318328857422,
-37.93843078613281,
25.582406997680664,
-38.401832580566406,
46.396949768066406,
-20.93361473083496,
13.326347351074219,
10.046064376831055,
-10.385822296142578,
4.083... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.35684698820114136,
-0.1691190004348755,
1.2830920219421387,
-0.22598199546337128,
-1.3568710088729858,
0.9246600270271301,
-1.6160730123519897,
1.7606749534606934,
2.210469961166382,
0.31230100989341736,
2.1221320629119873,
0.9362639784812927,
-1.7785240411758423,
3.1223039627075195,
... | [
-518111.75
] | [
2.3040716648101807,
-102.162841796875,
-33.41007995605469,
18.6395263671875,
92.60710144042969,
40.191070556640625,
16.558897018432617,
-17.411422729492188,
-17.453899383544922,
43.118804931640625,
-30.27875518798828,
-2.674475908279419,
10.004416465759277,
-36.95476531982422,
-8.9026031... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.3861440122127533,
0.19062599539756775,
-0.613985002040863,
-0.11683300137519836,
-0.9901390075683594,
-0.7471380233764648,
-0.3545190095901489,
2.3076090812683105,
0.5196800231933594,
-1.6173679828643799,
2.0830819606781006,
-1.5568759441375732,
-0.7188209891319275,
3.6755290031433105,
... | [
-518168.4375
] | [
8.405728340148926,
-62.21212387084961,
-12.704850196838379,
-10.278030395507812,
37.831993103027344,
-2.251319169998169,
-23.459083557128906,
38.85506820678711,
-11.52437686920166,
1.3625640869140625,
38.65018844604492,
15.444091796875,
-0.676780104637146,
-31.163774490356445,
-15.045839... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])[N:1]=[C:4]([H:22])[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
1.4709559679031372,
-0.020927000790834427,
-0.1477690041065216,
5.016810894012451,
-0.5801650285720825,
-0.49943700432777405,
3.6792140007019043,
-0.8150420188903809,
-0.7610840201377869,
2.622025966644287,
-0.4954099953174591,
0.2121489942073822,
-5.501512050628662,
2.6858770847320557,
... | [
-518132.1875
] | [
93.9374008178711,
-13.456000328063965,
-113.07849884033203,
-59.635459899902344,
12.065624237060547,
14.956624031066895,
58.317108154296875,
-18.13215446472168,
-9.353593826293945,
-65.63385772705078,
14.130638122558594,
-12.25975513458252,
12.35049819946289,
5.391601085662842,
0.5688478... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
0.4434039890766144,
-0.9126070141792297,
0.15579499304294586,
0.8627640008926392,
-3.6815590858459473,
0.7613840103149414,
1.874066948890686,
-2.7935569286346436,
0.6742439866065979,
1.6420739889144897,
-1.3973779678344727,
0.28506699204444885,
-1.645071029663086,
7.264571189880371,
0.78... | [
-518130.90625
] | [
51.305599212646484,
10.429327964782715,
1.2060297727584839,
45.87281036376953,
-5.572068691253662,
16.611469268798828,
-6.67080545425415,
-8.098014831542969,
12.748310089111328,
-35.31147003173828,
15.576045036315918,
-1.7236584424972534,
-35.01567840576172,
-87.89395141601562,
48.019622... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.43777498602867126,
0.8677099943161011,
0.7243180274963379,
-0.5536249876022339,
1.94172203540802,
0.2485020011663437,
-0.18129099905490875,
-1.5162060260772705,
0.9344980120658875,
0.26468899846076965,
-0.09176000207662582,
2.8470399379730225,
0.16753099858760834,
-2.645946979522705,
... | [
-518127.1875
] | [
8.410680770874023,
-10.808837890625,
18.30006217956543,
-32.66392517089844,
80.45230102539062,
-28.980405807495117,
5.355926513671875,
-18.827341079711914,
10.491107940673828,
-15.20980453491211,
15.2012357711792,
-22.82291030883789,
19.83777618408203,
0.8694309592247009,
-6.768073558807... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@:16]2([C:18]([C@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.0952799990773201,
0.3350769877433777,
-0.7837589979171753,
-0.6171849966049194,
0.8296449780464172,
0.030849000439047813,
1.580312967300415,
-1.4149160385131836,
-1.5184719562530518,
1.153723955154419,
0.3599410057067871,
-3.0310370922088623,
2.4081480503082275,
-2.0115489959716797,
-2... | [
-518170.0625
] | [
19.103473663330078,
-2.2773549556732178,
-24.42108726501465,
-16.277795791625977,
23.67383575439453,
30.363588333129883,
9.717451095581055,
-9.606650352478027,
14.871349334716797,
11.68253231048584,
-9.025238990783691,
-5.676217079162598,
18.17953109741211,
-28.596174240112305,
-10.07961... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
1.4236259460449219,
0.4531700015068054,
1.6168789863586426,
0.7343140244483948,
0.03011699952185154,
5.104036808013916,
1.5270190238952637,
0.15495799481868744,
3.937406063079834,
0.9224200248718262,
-0.15040799975395203,
2.6577301025390625,
-1.7245299816131592,
0.5718299746513367,
-6.15... | [
-518128.65625
] | [
32.715087890625,
2.748453378677368,
71.80250549316406,
27.812715530395508,
9.003066062927246,
-61.73761749267578,
-27.856826782226562,
-1.3915965557098389,
103.58016204833984,
31.50321388244629,
39.61161422729492,
-51.434574127197266,
-34.5635986328125,
-18.45566749572754,
48.04948425292... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.44049400091171265,
0.0030879999976605177,
0.7586269974708557,
-0.2536599934101105,
-1.029062032699585,
0.14087000489234924,
0.4474329948425293,
1.9631340503692627,
1.8309400081634521,
-1.9311909675598145,
1.8476200103759766,
1.6163899898529053,
0.2941499948501587,
3.250936985015869,
2... | [
-518173.15625
] | [
-7.689041614532471,
-26.661571502685547,
-19.522462844848633,
-1.7703181505203247,
27.47906494140625,
20.28614616394043,
1.60128653049469,
49.15939712524414,
13.225607872009277,
-1.731161117553711,
-12.403708457946777,
-20.607181549072266,
8.521894454956055,
-24.54819107055664,
3.2362086... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
0.5517370104789734,
-0.5719389915466309,
0.6544139981269836,
1.02885901927948,
-3.203258991241455,
-0.348363995552063,
1.850978970527649,
-2.6403110027313232,
0.6281179785728455,
1.5638959407806396,
-1.2757600545883179,
1.0982589721679688,
-1.4785380363464355,
6.629735946655273,
-0.97330... | [
-518171.375
] | [
25.736665725708008,
-50.91380310058594,
3.0890555381774902,
25.797637939453125,
41.87526321411133,
33.08904266357422,
-41.32993698120117,
-40.641326904296875,
-54.690879821777344,
-27.96150779724121,
27.73761558532715,
-12.128294944763184,
-3.5794410705566406,
0.06403433531522751,
-14.85... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
-0.9759680032730103,
0.25602900981903076,
0.5050320029258728,
-3.765108108520508,
1.2481460571289062,
0.836575984954834,
-2.767026901245117,
1.3642410039901733,
1.7690349817276,
-1.4381530284881592,
0.7274360060691833,
1.6022499799728394,
7.135772228240967,
-0.5007290244102478,
-1.569525... | [
-518130.1875
] | [
-58.55624771118164,
-16.486738204956055,
-36.95061111450195,
24.036039352416992,
16.379079818725586,
1.4204713106155396,
-18.2266902923584,
-27.521408081054688,
-56.64673614501953,
35.43030548095703,
-6.1147003173828125,
-17.33547019958496,
-8.584901809692383,
-18.509992599487305,
26.910... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
-0.2786079943180084,
-0.5142220258712769,
-0.4593859910964966,
-2.2524850368499756,
0.040987998247146606,
-2.535167932510376,
-0.9484609961509705,
0.49581998586654663,
-2.587378978729248,
0.0008169999928213656,
0.23177699744701385,
-1.5070639848709106,
3.2289130687713623,
1.892806053161621... | [
-518176.59375
] | [
46.86423873901367,
27.623571395874023,
-21.509132385253906,
71.1834945678711,
35.56013870239258,
-14.2257661819458,
-65.08706665039062,
-24.354738235473633,
-6.6273722648620605,
-15.534740447998047,
-8.955062866210938,
30.97144317626953,
6.095338344573975,
13.526994705200195,
27.79894638... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.5689430236816406,
-0.30060601234436035,
-0.31982898712158203,
-0.14855800569057465,
0.8274379968643188,
-0.5447850227355957,
-1.8285460472106934,
-2.1407248973846436,
-1.2250839471817017,
-0.9129260182380676,
-2.437040090560913,
0.9727810025215149,
-2.383352041244507,
-3.439085960388183... | [
-518167.53125
] | [
21.589277267456055,
38.499183654785156,
-3.1853370666503906,
-30.140975952148438,
-60.153995513916016,
-2.178295135498047,
-8.812256813049316,
-28.820209503173828,
-2.994511127471924,
-18.70539665222168,
-29.91002655029297,
-15.633820533752441,
4.465953826904297,
15.345324516296387,
-12.... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.6031079888343811,
-0.880810022354126,
0.32179200649261475,
-0.866428017616272,
-0.6764640212059021,
-0.857234001159668,
0.1645449995994568,
-2.464294910430908,
2.051050901412964,
-0.04479900002479553,
-0.13954100012779236,
2.548892021179199,
0.6611409783363342,
-2.6957080364227295,
3.... | [
-518173.125
] | [
-8.24849796295166,
-0.5720056891441345,
-55.94034194946289,
20.837968826293945,
-22.334897994995117,
56.12818145751953,
2.415191411972046,
-15.33436393737793,
13.18002986907959,
4.967916488647461,
1.8504939079284668,
36.32054138183594,
-3.174368143081665,
2.354055166244507,
-17.901922225... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
1.4550620317459106,
0.12139199674129486,
-0.24115200340747833,
4.99445104598999,
-0.7892829775810242,
-0.33035901188850403,
3.711113929748535,
-0.5648130178451538,
-0.8175640106201172,
2.666804075241089,
-0.17244400084018707,
0.13648399710655212,
-5.505058765411377,
2.6514739990234375,
3... | [
-518179.90625
] | [
73.37723541259766,
-37.2215461730957,
-69.70784759521484,
-52.856414794921875,
6.602177143096924,
-19.66669273376465,
47.25707244873047,
-5.981314659118652,
28.685182571411133,
-47.57850646972656,
20.088397979736328,
-21.19595718383789,
-12.651464462280273,
-19.47600555419922,
-6.3690319... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])[N:1]=[C:4]([H:22])[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
-0.5657359957695007,
-0.36924099922180176,
-0.12178300321102142,
-3.957379102706909,
-0.13966700434684753,
1.3483690023422241,
-3.0199220180511475,
-0.24442599713802338,
0.32273998856544495,
-1.5928219556808472,
-0.10216599702835083,
0.6714739799499512,
7.189813137054443,
2.618388891220092... | [
-518175.15625
] | [
-56.66663360595703,
-3.6598658561706543,
13.291167259216309,
42.836666107177734,
14.874366760253906,
-39.48581314086914,
-17.816211700439453,
-6.027815341949463,
32.064510345458984,
51.60789108276367,
-4.361052513122559,
-23.509422302246094,
19.549829483032227,
-4.6474223136901855,
9.647... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.9638670086860657,
-0.3870890140533447,
0.21942999958992004,
0.9430469870567322,
0.8425170183181763,
0.16025499999523163,
1.6130739450454712,
-2.5326380729675293,
1.311872959136963,
-0.07280299812555313,
-2.4600698947906494,
-0.48834699392318726,
1.4333629608154297,
-3.8732800483703613,
... | [
-518124.65625
] | [
2.577512502670288,
60.98883819580078,
-0.08803653717041016,
22.560829162597656,
-55.66185760498047,
1.2522934675216675,
-20.994394302368164,
2.1720376014709473,
-21.943355560302734,
28.4039306640625,
82.50432586669922,
8.504555702209473,
-22.755115509033203,
-46.588462829589844,
-47.2437... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])[N:1]=[C:4]([H:22])[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
-0.4115369915962219,
0.2281540036201477,
-0.3232339918613434,
-2.5332119464874268,
1.3004319667816162,
-2.2430930137634277,
-1.1844040155410767,
1.3595629930496216,
-2.5364010334014893,
-0.11649999767541885,
0.7433030009269714,
-1.5326459407806396,
3.427762985229492,
-1.1321560144424438,
... | [
-518106.53125
] | [
-62.20335006713867,
13.862183570861816,
-137.7133331298828,
59.624114990234375,
4.38590145111084,
-29.911474227905273,
-21.309762954711914,
-32.35863494873047,
43.43287658691406,
-54.201812744140625,
37.010353088378906,
46.07390594482422,
4.962568759918213,
-16.321847915649414,
58.110202... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
0.9839169979095459,
0.6032469868659973,
2.062351942062378,
3.4577760696411133,
-0.9458360075950623,
1.835237979888916,
2.3241639137268066,
-1.4411989450454712,
2.427467107772827,
1.0808329582214355,
-0.6431639790534973,
2.50498104095459,
-2.9019219875335693,
4.05062198638916,
-3.72581100... | [
-518174.125
] | [
4.761998653411865,
-53.45160675048828,
7.434977054595947,
-32.84800338745117,
-28.206710815429688,
19.934539794921875,
51.2246208190918,
29.583127975463867,
-19.730621337890625,
-7.410776615142822,
52.00609588623047,
-19.3260498046875,
-2.1559033393859863,
-4.759720802307129,
3.092844247... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@:16]2([C:18]([C@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.1561329960823059,
-1.051650047302246,
0.9176909923553467,
-0.8122749924659729,
-0.11997000128030777,
1.361670970916748,
1.4897500276565552,
-2.8488221168518066,
0.6811990141868591,
0.34277498722076416,
-2.1789560317993164,
-1.2353379726409912,
2.3822081089019775,
-3.6170730590820312,
... | [
-518119.6875
] | [
-33.42803955078125,
25.98207664489746,
-9.73804759979248,
1.404868245124817,
-23.225812911987305,
3.5410239696502686,
41.14341735839844,
-25.932249069213867,
-27.4646053314209,
-18.376039505004883,
2.9958653450012207,
-64.17487335205078,
-16.241376876831055,
-19.965675354003906,
35.18534... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.24551799893379211,
-0.5200589895248413,
0.1723800003528595,
0.08020699769258499,
0.5658379793167114,
-0.3229379951953888,
-0.567924976348877,
-2.2919199466705322,
1.697525978088379,
1.3575680255889893,
-2.666002035140991,
0.23088499903678894,
-0.37316998839378357,
-3.590886116027832,
2... | [
-518119.46875
] | [
-9.015745162963867,
25.645727157592773,
-14.020411491394043,
-13.23037338256836,
-31.709203720092773,
-7.835331439971924,
-12.423773765563965,
-34.43696212768555,
17.662399291992188,
19.35821533203125,
-31.196138381958008,
21.93289566040039,
46.306236267089844,
20.288057327270508,
-28.93... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
-0.023662999272346497,
1.3629800081253052,
1.0820980072021484,
-0.004726999904960394,
5.066755771636963,
1.1918790340423584,
-0.06921300292015076,
3.72611403465271,
1.681054949760437,
-0.048813000321388245,
2.6233139038085938,
0.7201330065727234,
2.5115110874176025,
-5.558028221130371,
-... | [
-518139.71875
] | [
7.747704029083252,
31.991605758666992,
0.13566267490386963,
-23.624462127685547,
-60.16586685180664,
67.13587951660156,
7.632940292358398,
99.53601837158203,
-33.5374870300293,
-3.7522685527801514,
-54.00306701660156,
10.155266761779785,
-4.522895812988281,
55.386566162109375,
-26.797430... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.23272199928760529,
0.6874060034751892,
0.9871730208396912,
-0.4714750051498413,
1.5982190370559692,
0.20411600172519684,
-0.7993209958076477,
-1.362396001815796,
2.2077438831329346,
1.3671469688415527,
-0.36759400367736816,
2.4596080780029297,
-0.3619779944419861,
-2.4307138919830322,
... | [
-518170.65625
] | [
-14.247930526733398,
54.37163543701172,
-35.74639129638672,
10.837179183959961,
-28.25640869140625,
34.05546569824219,
30.943422317504883,
-12.927000045776367,
16.454757690429688,
25.516647338867188,
-23.552509307861328,
20.74822235107422,
-39.869014739990234,
-6.630251407623291,
-17.000... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@:16]2([C:18]([C@@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.5017009973526001,
0.5094010233879089,
1.1535500288009644,
-0.4571770131587982,
0.23278599977493286,
1.8345580101013184,
2.8432929515838623,
0.43230900168418884,
0.5577369928359985,
1.4765290021896362,
1.667333960533142,
-0.8962720036506653,
3.9251229763031006,
0.80069899559021,
-0.2901... | [
-518127.4375
] | [
-11.461122512817383,
-3.4400336742401123,
-7.033461570739746,
17.260631561279297,
26.75877571105957,
-17.26344871520996,
39.11958312988281,
-1.372450351715088,
-46.120399475097656,
-93.92071533203125,
18.010610580444336,
8.027716636657715,
7.703015327453613,
11.669976234436035,
2.7668750... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
2.028078079223633,
0.03595900163054466,
1.147907018661499,
3.359452962875366,
-2.6746509075164795,
1.316532015800476,
3.087568998336792,
-1.9770209789276123,
0.14071300625801086,
2.4164419174194336,
-0.6565210223197937,
0.05965400114655495,
-4.515478134155273,
5.162435054779053,
0.602562... | [
-518114.375
] | [
9.225960731506348,
-59.773223876953125,
-51.258880615234375,
-38.91062927246094,
42.54734802246094,
-38.07386016845703,
24.70052719116211,
-41.462711334228516,
56.7964973449707,
-18.159339904785156,
43.9696159362793,
70.66609954833984,
27.452707290649414,
-14.740208625793457,
10.31900405... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@:16]2([C:18]([C@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.8243470191955566,
0.38108500838279724,
0.8445709943771362,
0.15747199952602386,
1.3454070091247559,
0.7501189708709717,
2.149348020553589,
-1.1742229461669922,
2.0525810718536377,
1.9586360454559326,
-1.4186480045318604,
-0.3699119985103607,
2.9336249828338623,
-2.3347699642181396,
2.1... | [
-518131.5625
] | [
49.65589141845703,
-63.37371826171875,
-3.818406581878662,
-49.564090728759766,
73.8974838256836,
-18.17356300354004,
38.57591247558594,
-39.976924896240234,
18.584739685058594,
33.95241928100586,
-2.8597450256347656,
45.629425048828125,
-30.533662796020508,
19.796588897705078,
-41.92604... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.5775480270385742,
-0.6877319812774658,
-1.3980400562286377,
1.117576003074646,
0.4118860065937042,
-1.4628230333328247,
-1.5948309898376465,
-1.8027280569076538,
-2.078887939453125,
-0.33734700083732605,
-2.6291120052337646,
-0.19763199985027313,
-2.64968204498291,
-2.6840639114379883,
... | [
-518117.3125
] | [
-8.081254005432129,
29.447860717773438,
-10.491212844848633,
-16.494794845581055,
-40.63108444213867,
-8.991028785705566,
4.348690509796143,
-30.712430953979492,
7.410506248474121,
-93.74107360839844,
-26.42500114440918,
21.749248504638672,
-4.197426795959473,
8.944601058959961,
-30.3194... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@:16]2([C:18]([C@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.01418600045144558,
0.9710339903831482,
0.3504030108451843,
0.718858003616333,
0.9071829915046692,
-0.6181740164756775,
-1.6374950408935547,
-0.01924300007522106,
1.8923579454421997,
-0.8381059765815735,
2.2036590576171875,
2.2423360347747803,
-2.50285005569458,
0.10519099980592728,
2.9... | [
-518172.03125
] | [
-0.4845501780509949,
-7.184610843658447,
4.530001163482666,
-0.7908501625061035,
4.212253093719482,
-14.953372955322266,
-0.05867679789662361,
-10.651294708251953,
-11.053241729736328,
-23.3655948638916,
14.738040924072266,
17.185062408447266,
-7.654272079467773,
-10.424871444702148,
7.0... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
-0.7574380040168762,
0.19918400049209595,
0.928525984287262,
-4.24211311340332,
0.8501880168914795,
0.1109049990773201,
-3.1099889278411865,
0.014558999799191952,
0.3855290114879608,
-1.940161943435669,
0.7266610264778137,
0.5805630087852478,
7.466363906860352,
1.361556053161621,
0.49717... | [
-518116.375
] | [
-30.036489486694336,
-14.132710456848145,
-3.2971112728118896,
68.3777084350586,
-75.79657745361328,
-7.510307312011719,
-128.22996520996094,
69.04840850830078,
-13.226377487182617,
174.4646453857422,
42.279441833496094,
0.21710485219955444,
7.291627883911133,
-49.32438278198242,
3.11044... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.45154300332069397,
-0.4747909903526306,
1.123998999595642,
-0.2914170026779175,
-1.5260670185089111,
0.4917530119419098,
-0.9496579766273499,
1.776021957397461,
0.8637049794197083,
-0.4172140061855316,
0.9476270079612732,
3.0590860843658447,
-1.3189120292663574,
3.032818078994751,
1.3... | [
-518119.96875
] | [
14.562498092651367,
-77.87162017822266,
-41.06544494628906,
-12.718446731567383,
61.835044860839844,
34.302467346191406,
-40.69804382324219,
79.6142807006836,
-1.877624273300171,
-30.934812545776367,
51.86627197265625,
59.316524505615234,
30.051044464111328,
-10.4188814163208,
-33.912139... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@:16]2([C:18]([C@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.3907260000705719,
0.46829500794410706,
-0.5348680019378662,
0.5069829821586609,
0.677681028842926,
0.25041699409484863,
-0.9905170202255249,
-1.2370740175247192,
-2.21875,
-2.4833719730377197,
0.6624330282211304,
-1.7196849584579468,
-2.033881902694702,
-1.7886680364608765,
-3.0963540... | [
-518117.53125
] | [
31.039390563964844,
-16.653825759887695,
-1.466597318649292,
-45.420658111572266,
14.74596881866455,
-46.17380142211914,
-97.49696350097656,
7.092859268188477,
-35.627140045166016,
2.2958407402038574,
-39.86886978149414,
10.351043701171875,
-7.845921993255615,
55.80483627319336,
57.65974... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
0.34539198875427246,
-0.7524080276489258,
0.9587500095367432,
-0.7139880061149597,
-3.117156982421875,
2.2917699813842773,
-0.8099380135536194,
-1.8259700536727905,
2.778855085372925,
-0.3134140074253082,
-0.660614013671875,
2.10367488861084,
3.1309149265289307,
5.490973949432373,
-3.668... | [
-518172.1875
] | [
-49.10647964477539,
-35.459510803222656,
70.16519165039062,
1.9864814281463623,
44.69682693481445,
24.30960464477539,
-9.123228073120117,
-68.8570556640625,
-11.300024032592773,
47.00521469116211,
6.20514440536499,
-68.16474914550781,
5.03437614440918,
-5.397491931915283,
4.1907424926757... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
-0.3600490093231201,
0.8481240272521973,
-0.3470200002193451,
-0.7085989713668823,
-0.6868829727172852,
-2.8708460330963135,
-0.6937530040740967,
0.7215020060539246,
-2.837454080581665,
-0.4506230056285858,
1.3908740282058716,
-1.5082770586013794,
3.2925899028778076,
-0.8530460000038147,
... | [
-518100.4375
] | [
-57.09931182861328,
-68.42033386230469,
-12.560076713562012,
11.964457511901855,
71.65514373779297,
34.369606018066406,
-7.611700057983398,
-99.01935577392578,
56.69171905517578,
30.97386932373047,
-26.5838680267334,
5.689904689788818,
7.67584228515625,
8.99925708770752,
34.0578689575195... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
1.6485650539398193,
0.33567699790000916,
1.0932070016860962,
2.2509748935699463,
-1.493899941444397,
3.387850046157837,
2.0130960941314697,
-0.12387999892234802,
3.5176239013671875,
1.73090398311615,
0.7753890156745911,
2.3493199348449707,
-2.977617025375366,
0.38330501317977905,
-4.6147... | [
-518171.1875
] | [
21.132585525512695,
-14.822097778320312,
71.42427062988281,
12.169841766357422,
59.274566650390625,
24.569766998291016,
-0.9131794571876526,
-60.50261688232422,
-22.98304557800293,
-9.217730522155762,
-40.60809326171875,
-67.05339050292969,
-2.7146146297454834,
-4.142673015594482,
-8.470... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.8757809996604919,
-0.2854419946670532,
-0.21626299619674683,
0.9489129781723022,
0.9058820009231567,
-0.4058449864387512,
1.6570429801940918,
-2.1249799728393555,
1.1708569526672363,
0.08769000321626663,
-2.626682996749878,
-0.6050000190734863,
1.6679240465164185,
-3.5035130977630615,
... | [
-518174.53125
] | [
-0.5590541362762451,
13.466029167175293,
-0.24600450694561005,
18.516443252563477,
1.7791181802749634,
6.635521411895752,
-5.075363636016846,
-39.8746223449707,
-0.6341853737831116,
27.60057830810547,
-15.711871147155762,
26.11823081970215,
21.848308563232422,
13.03037166595459,
11.81035... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.46253499388694763,
-0.23401500284671783,
0.47702300548553467,
-0.6616770029067993,
-0.29440799355506897,
0.006626000162214041,
2.8005549907684326,
-0.7605900168418884,
0.3391680121421814,
1.8908109664916992,
0.2507140040397644,
2.360124111175537,
4.08805513381958,
-0.8025199770927429,
... | [
-518119.78125
] | [
-51.02211380004883,
-9.767004013061523,
-12.936912536621094,
3.1713051795959473,
-2.080543279647827,
6.201752662658691,
16.456737518310547,
-9.460521697998047,
-37.134490966796875,
40.29549026489258,
3.643106698989868,
-7.021823883056641,
-12.825847625732422,
24.25632095336914,
34.279834... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
1.1526440382003784,
-0.3320150077342987,
0.27940499782562256,
3.428370952606201,
-1.32259202003479,
-1.1247069835662842,
3.3813750743865967,
-1.4734159708023071,
0.2544440031051636,
2.221043109893799,
-0.8097429871559143,
0.9430080056190491,
-4.834936141967773,
4.20123815536499,
-0.14200... | [
-518115.71875
] | [
90.72887420654297,
-76.73170471191406,
-20.76360511779785,
17.937034606933594,
-44.53227996826172,
54.867828369140625,
-29.13153839111328,
20.073665618896484,
-40.984352111816406,
-49.785728454589844,
36.46709060668945,
-101.49181365966797,
54.2960090637207,
-75.96040344238281,
100.73022... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
0.1758130043745041,
0.9723799824714661,
-0.6129570007324219,
-0.12707500159740448,
4.222848892211914,
-2.216204881668091,
-0.4272879958152771,
2.932284116744995,
-1.8867050409317017,
0.4844520092010498,
2.1778368949890137,
-1.0093480348587036,
2.001612901687622,
-4.032598972320557,
5.490... | [
-518180.375
] | [
-30.392696380615234,
43.668548583984375,
-48.08415603637695,
-0.08624476194381714,
-28.839290618896484,
22.07065200805664,
4.015364170074463,
26.390871047973633,
-28.17919921875,
-27.30958366394043,
-44.2033805847168,
18.2941837310791,
5.778257846832275,
19.168046951293945,
4.01419401168... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
1.2851099967956543,
-0.5579910278320312,
-0.06840699911117554,
3.4966208934783936,
-2.3955190181732178,
0.05489100143313408,
2.512131929397583,
-2.3891820907592773,
1.0064970254898071,
1.415565013885498,
-1.400136947631836,
0.9240000247955322,
-2.983644962310791,
6.306527137756348,
1.014... | [
-518143.96875
] | [
5.370306968688965,
19.581623077392578,
15.614256858825684,
-27.755895614624023,
0.5453342199325562,
8.066835403442383,
31.966733932495117,
-2.8438456058502197,
-15.970663070678711,
-40.07477951049805,
38.64543914794922,
-22.22247886657715,
25.727249145507812,
3.273394823074341,
-38.60255... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@:16]2([C:18]([C@@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.1766580045223236,
-1.1402599811553955,
-0.22670400142669678,
-0.4414080083370209,
-0.419391006231308,
-1.1723079681396484,
0.3508319854736328,
-1.2335129976272583,
2.114145040512085,
0.6921290159225464,
-3.2447409629821777,
0.8428390026092529,
0.8150010108947754,
-1.8400499820709229,
... | [
-518172.21875
] | [
-2.4469926357269287,
16.824254989624023,
-31.1721248626709,
-3.8989131450653076,
-28.613319396972656,
15.39703369140625,
-13.888084411621094,
26.165969848632812,
21.962177276611328,
-7.442108631134033,
22.58604621887207,
23.695980072021484,
2.383939027786255,
-11.869760513305664,
-1.4759... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.6512050032615662,
-0.7888829708099365,
1.0454219579696655,
0.9808869957923889,
0.28938499093055725,
1.344918966293335,
-1.0246479511260986,
-1.989603042602539,
-0.1345600038766861,
0.893189013004303,
-3.2177000045776367,
0.7077199816703796,
-1.4058430194854736,
-3.0400259494781494,
-0.... | [
-518113.78125
] | [
-18.082996368408203,
-68.26625061035156,
-9.334943771362305,
24.528141021728516,
89.16413879394531,
41.99502944946289,
-0.9672327041625977,
74.31181335449219,
13.326308250427246,
-31.640596389770508,
-37.050655364990234,
-64.30557250976562,
-77.95947265625,
-71.73136138916016,
-76.847908... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.9963409900665283,
-0.4187310039997101,
0.6274110078811646,
1.451470971107483,
0.00937500037252903,
-0.47231200337409973,
-0.8232349753379822,
-1.5023080110549927,
1.8575160503387451,
1.0703500509262085,
-0.6340039968490601,
3.0908780097961426,
-1.318660020828247,
-1.9571340084075928,
3... | [
-518127.15625
] | [
42.96847915649414,
50.97102737426758,
-125.3552017211914,
-36.44969940185547,
-53.27189254760742,
74.78385925292969,
-47.967124938964844,
-27.327085494995117,
40.83429718017578,
-15.064981460571289,
-8.629966735839844,
-28.53360939025879,
23.667848587036133,
21.786012649536133,
-64.28827... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-1.1192950010299683,
-0.467276006937027,
-0.6290540099143982,
-1.2852050065994263,
-1.3623759746551514,
0.1302420049905777,
-1.9965109825134277,
1.4762459993362427,
-1.8396539688110352,
0.3810189962387085,
1.134242057800293,
-1.7688570022583008,
-1.806704044342041,
2.698754072189331,
-2.... | [
-518174.21875
] | [
5.9757080078125,
29.399063110351562,
-25.399057388305664,
-9.628840446472168,
-35.02882385253906,
28.8660945892334,
-0.13042964041233063,
21.689319610595703,
-12.8732328414917,
2.0492255687713623,
0.0844968631863594,
11.068307876586914,
14.98220443725586,
-38.18546676635742,
26.097099304... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
-0.3138450086116791,
-0.3473620116710663,
1.0762619972229004,
-1.4532649517059326,
-2.9148919582366943,
2.001807928085327,
-1.0033040046691895,
-1.8483350276947021,
2.79955792427063,
-0.27400699257850647,
-0.764723002910614,
2.3074820041656494,
4.122350215911865,
5.311519145965576,
-3.39... | [
-518108.0625
] | [
-26.52336311340332,
-5.735830783843994,
-14.421160697937012,
43.781211853027344,
95.38013458251953,
20.777381896972656,
-95.23662567138672,
-125.27981567382812,
39.347320556640625,
65.08350372314453,
78.16230010986328,
-72.35018157958984,
97.56615447998047,
-41.038429260253906,
-2.773097... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
-0.6867449879646301,
1.1952069997787476,
0.4269790053367615,
-3.0646989345550537,
2.8476250171661377,
0.8108050227165222,
-2.582261085510254,
1.9614180326461792,
1.738929033279419,
-1.405729055404663,
1.1266590356826782,
1.5115519762039185,
6.571883201599121,
-2.309556007385254,
-1.89034... | [
-518174.03125
] | [
-47.41635513305664,
27.247989654541016,
22.08083152770996,
29.034936904907227,
-27.40770149230957,
15.892817497253418,
-24.93056297302246,
26.653915405273438,
-29.18332290649414,
35.438045501708984,
13.578927993774414,
-46.11323928833008,
-0.8831058144569397,
-34.83705139160156,
7.581799... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.954567015171051,
-0.513418972492218,
0.4677320122718811,
1.5513770580291748,
-0.0487699992954731,
-0.5079910159111023,
-0.6400009989738464,
-1.9966449737548828,
1.6446919441223145,
0.5739650130271912,
-0.2839849889278412,
2.832119941711426,
-1.3283480405807495,
-2.380048990249634,
2.83... | [
-518171.1875
] | [
38.513885498046875,
23.47124671936035,
-62.911964416503906,
-28.1258544921875,
-18.328567504882812,
61.86593246459961,
-22.33802032470703,
-8.844338417053223,
41.16891098022461,
0.2600801885128021,
-7.0806145668029785,
27.111820220947266,
18.54659652709961,
12.431251525878906,
-19.485977... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@:16]2([C:18]([C@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.741972029209137,
-0.09835799783468246,
1.3503589630126953,
-1.625404953956604,
-0.5732740163803101,
0.7114480137825012,
0.7418929934501648,
1.5289419889450073,
2.324059009552002,
1.5421249866485596,
-0.7641109824180603,
2.019486904144287,
1.996852993965149,
1.885638952255249,
2.948431... | [
-518132.6875
] | [
32.02812576293945,
1.5478782653808594,
-9.189666748046875,
-62.20179748535156,
-18.261484146118164,
-19.930255889892578,
52.3857421875,
80.21607971191406,
-2.8369879722595215,
6.8969879150390625,
72.13450622558594,
32.77657699584961,
-33.27752685546875,
-81.46668243408203,
-24.0302333831... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.5306130051612854,
0.48437899351119995,
0.05838700011372566,
-0.5531730055809021,
-0.6608849763870239,
-0.36027398705482483,
-1.0978000164031982,
1.9780089855194092,
1.8863919973373413,
-0.02302899956703186,
2.9008779525756836,
-0.044461000710725784,
-1.0989209413528442,
3.21022796630859... | [
-518173.6875
] | [
-6.039878845214844,
-36.50740432739258,
-21.916461944580078,
-7.679112434387207,
22.089717864990234,
22.32988739013672,
5.798020839691162,
11.911069869995117,
-16.520109176635742,
-17.665729522705078,
19.58788299560547,
16.27037811279297,
3.165329933166504,
-5.339494705200195,
-0.2925242... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.7542420029640198,
-0.6724089980125427,
0.6035599708557129,
-0.9819440245628357,
-0.46261298656463623,
-0.6204460263252258,
1.1073490381240845,
-1.0844329595565796,
2.0713789463043213,
-1.0826029777526855,
-0.4657190144062042,
3.087714910507202,
1.658750057220459,
-1.085569977760315,
3... | [
-518103.0625
] | [
-18.582027435302734,
19.336565017700195,
-106.83268737792969,
29.044322967529297,
-8.103580474853516,
129.2860107421875,
44.11806106567383,
-18.36770248413086,
42.29362869262695,
65.18099212646484,
-12.183723449707031,
16.45722198486328,
-9.686491966247559,
2.8595244884490967,
-25.648921... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
1.2683780193328857,
-0.5780649781227112,
0.06911099702119827,
4.179121017456055,
-0.8551080226898193,
-2.113924980163574,
3.1571829319000244,
-1.2670199871063232,
-1.3055659532546997,
2.270962953567505,
-0.2918190062046051,
-0.7318609952926636,
-4.4377641677856445,
4.727725982666016,
3.4... | [
-518183.875
] | [
22.77219009399414,
4.000060081481934,
-15.882201194763184,
-28.83342742919922,
-54.64957809448242,
29.119121551513672,
17.359989166259766,
-7.065350532531738,
-15.455156326293945,
-48.657012939453125,
36.612918853759766,
35.98548126220703,
0.34079548716545105,
-4.611393451690674,
-5.1726... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@:16]2([C:18]([C@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
0.4258680045604706,
1.0826820135116577,
0.348378986120224,
1.3387759923934937,
0.8367540240287781,
-0.416579008102417,
-1.929744005203247,
0.7171859741210938,
0.9930369853973389,
-0.3643510043621063,
1.9795199632644653,
2.446263074874878,
-2.978754997253418,
1.0099040269851685,
1.8973309... | [
-518143.09375
] | [
26.930585861206055,
-19.665687561035156,
-12.573004722595215,
-13.231040954589844,
11.076766014099121,
0.24680374562740326,
15.07312297821045,
4.854923248291016,
25.776336669921875,
-40.28469467163086,
14.504903793334961,
40.82880401611328,
25.7353515625,
-25.48773193359375,
-64.84692382... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@:20]3([C@@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.4456480145454407,
-0.7158550024032593,
-0.691444993019104,
-0.6874070167541504,
-1.7041369676589966,
0.059824999421834946,
-1.41731595993042,
1.192209005355835,
-1.606503963470459,
0.8769969940185547,
0.6006659865379333,
-2.3526248931884766,
-1.3214069604873657,
2.2063679695129395,
-2... | [
-518114.65625
] | [
-16.331235885620117,
-120.10933685302734,
87.11678314208984,
46.76892852783203,
140.1764373779297,
-116.45960998535156,
-33.3477783203125,
35.26231002807617,
-27.595216751098633,
-34.37936019897461,
-10.955939292907715,
3.1334171295166016,
35.715694427490234,
37.22072219848633,
-12.60834... |
[H:21][c:3]1[c:5]([c:8]([c:6]([c:4]([c:7]1[C:1]#[C:2][C@@:16]2([C:18]([C@@:20]3([C@:19]([N:11]2[H:26])([C:15]([N:10]([C:14]([C:17]3([H:38])[H:39])([H:33])[H:34])[H:25])([H:35])[H:36])[H:42])[H:43])([H:40])[H:41])[H:37])[H:22])[H:24])[N:9]([C:12]([H:27])([H:28])[H:29])[C:13]([H:30])([H:31])[H:32])[H:23] | [
-0.4378870129585266,
0.30640000104904175,
-0.549547016620636,
0.5848730206489563,
-0.15233300626277924,
-0.9427629709243774,
-1.6012639999389648,
2.2159929275512695,
0.4290100038051605,
-2.8445539474487305,
0.23811200261116028,
-0.20138099789619446,
-2.8139359951019287,
2.8505280017852783,... | [
-518171.46875
] | [
-22.796340942382812,
10.423648834228516,
14.823745727539062,
27.6524658203125,
-14.87601089477539,
-36.582847595214844,
-26.278535842895508,
3.314641237258911,
2.5754966735839844,
-10.77672290802002,
19.439695358276367,
9.398066520690918,
11.319795608520508,
-9.30268669128418,
-2.9434378... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])/[N:1]=[C:4](\[H:22])/[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
0.2840160131454468,
1.5988340377807617,
-0.16465899348258972,
-2.6675829887390137,
3.370589017868042,
-1.2490500211715698,
-1.6481549739837646,
2.4530770778656006,
-1.2519450187683105,
-0.616786003112793,
2.52679705619812,
-0.19369199872016907,
4.664511203765869,
-2.8831241130828857,
4.4... | [
-518178.4375
] | [
-41.74568557739258,
13.749903678894043,
-34.29435348510742,
43.64186096191406,
-35.718788146972656,
5.8018951416015625,
-28.21312141418457,
30.410926818847656,
-17.42877769470215,
6.080472946166992,
-46.042686462402344,
-20.284677505493164,
0.7562194466590881,
-9.192495346069336,
2.39495... |
[H:23][c:5]1[c:6]([c:8]([c:10]([c:9]([c:7]1[H:25])[H:27])[N:12]2[C:17]([C:15]([N:11]([C:16]([C:18]2([H:38])[H:39])([H:34])[H:35])[N:1]=[C:4]([H:22])[C:3]3=[C:2]([C:13]([C:19]([C:20]([C:14]3([H:30])[H:31])([H:42])[H:43])([H:40])[H:41])([H:28])[H:29])[H:21])([H:32])[H:33])([H:36])[H:37])[H:26])[H:24] | [
0.8445749878883362,
0.06740699708461761,
1.5854209661483765,
-0.3277890086174011,
-1.7415610551834106,
4.508357048034668,
0.6006280183792114,
-1.1796729564666748,
3.6483960151672363,
0.07875099778175354,
-0.5834239721298218,
2.417617082595825,
0.8657190203666687,
4.294830799102783,
-5.10... | [
-518178.84375
] | [
1.2044241428375244,
-25.307601928710938,
52.16312026977539,
36.199546813964844,
22.5340518951416,
-29.618391036987305,
-20.445430755615234,
-20.044879913330078,
18.59383773803711,
31.509601593017578,
29.457443237304688,
-28.37922477722168,
23.223329544067383,
-16.60280990600586,
1.394482... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.