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{
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{
"id": "jvasp-112033",
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{
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"structure_string": "H5 C8 S1 N1 O1\n1.0\n4.259888 -0.019871 0.251570\n1.458754 5.433413 0.863794\n-0.155274 0.040506 7.559378\nH C S N O\n5 8 1 1 1\ndirect\n0.728304 0.059924 0.578035 H\n0.202150 0.426454 0.954413 H\n0.191958 0.919745 0.310747 H\n0.241813 0.805838 0.643439 H\n0.636796 0.165184 0.247395 H\n0.327397 0.667230 0.555317 C\n0.298880 0.730514 0.370711 C\n0.499586 0.428169 0.628302 C\n0.422102 0.551879 0.259058 C\n0.630017 0.395087 0.811475 C\n0.485957 0.618976 0.067358 C\n0.603636 0.245829 0.518465 C\n0.552809 0.304917 0.334757 C\n0.666808 0.841379 0.000781 S\n0.418688 0.476943 0.948467 N\n0.924047 0.309246 0.840390 O\n",
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{
"id": "jvasp-112103",
"created_at": "2022-09-04T14:38:43.712763Z",
"updated_at": "2022-09-04T14:38:43.712786Z",
"structure_string": "Sn1 H14 C8 O4\n1.0\n4.990890 0.008553 1.016105\n0.419588 6.040346 0.568295\n-0.051544 -0.185070 8.239165\nSn H C O\n1 14 8 4\ndirect\n0.607027 0.691043 0.708034 Sn\n0.239659 0.320751 0.025044 H\n0.851419 0.484850 0.937257 H\n0.734881 -0.021530 0.445718 H\n0.902980 0.036515 0.609147 H\n0.554696 0.124325 0.621113 H\n0.959251 0.326694 0.187681 H\n0.657954 0.286621 0.868506 H\n0.517978 0.138287 0.234932 H\n0.224552 0.173718 0.390226 H\n0.190162 0.581139 0.291121 H\n0.521117 0.539856 0.170608 H\n0.065237 0.890928 0.215802 H\n0.895331 0.006077 0.059707 H\n0.973123 0.360211 0.743562 H\n0.086475 0.001065 0.102542 C\n0.383254 0.483670 0.282388 C\n0.328915 0.240315 0.269467 C\n0.149491 0.232324 0.140863 C\n0.298871 0.891876 0.973509 C\n0.794090 0.417995 0.830697 C\n0.713478 -0.003453 0.578662 C\n0.498175 0.530171 0.430385 C\n0.329466 0.581888 0.565799 O\n0.545984 0.912842 0.962870 O\n0.221617 0.774233 0.867169 O\n0.746599 0.528438 0.427707 O\n",
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"formula_full": "Sn1 H14 C8 O4",
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{
"id": "jvasp-112112",
"created_at": "2022-09-04T14:38:43.825609Z",
"updated_at": "2022-09-04T14:38:43.825632Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.747689 -0.066036 -0.467047\n-0.771591 4.272036 -0.206411\n0.115831 0.025218 11.197997\nCd H C O\n1 10 7 4\ndirect\n0.596912 0.768067 0.800621 Cd\n0.848993 0.552612 0.398370 H\n0.969401 0.516498 0.173523 H\n0.432531 0.518078 0.219853 H\n0.254319 0.032181 0.330832 H\n0.795072 0.027529 0.282938 H\n0.897645 0.973121 0.071509 H\n0.352170 0.971858 0.116625 H\n0.654925 0.030322 0.492187 H\n0.108815 0.041734 0.548625 H\n0.303654 0.544727 0.451509 H\n0.869131 0.370875 0.636676 C\n0.913888 0.192061 0.522304 C\n0.037750 0.393390 0.420656 C\n0.059980 0.186905 0.308258 C\n0.163649 0.364189 0.198334 C\n0.163743 0.130676 0.092143 C\n0.272468 0.254492 0.974663 C\n0.477291 0.522215 0.974480 O\n0.634209 0.250171 0.703248 O\n0.053740 0.649114 0.664157 O\n0.166108 0.067734 0.879259 O\n",
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{
"id": "jvasp-112016",
"created_at": "2022-09-04T14:38:43.277370Z",
"updated_at": "2022-09-04T14:38:43.277394Z",
"structure_string": "H8 C16 S2 O4\n1.0\n3.637060 -0.047309 0.141287\n0.904978 8.721644 3.069959\n-0.021480 -0.104376 9.910657\nH C S O\n8 16 2 4\ndirect\n0.737283 0.871376 0.708352 H\n0.737281 0.371377 0.208352 H\n0.236706 0.099117 0.216940 H\n0.236707 0.599117 0.716940 H\n0.217585 0.255701 0.382916 H\n0.217586 0.755700 0.882917 H\n0.737972 0.712374 0.546955 H\n0.737970 0.212374 0.046955 H\n0.594273 0.333378 0.753166 C\n0.594274 0.833378 0.253166 C\n0.617472 0.330307 0.011631 C\n0.617473 0.830306 0.511631 C\n0.616028 0.418518 0.102855 C\n0.616029 0.918517 0.602855 C\n0.494847 0.397410 0.870911 C\n0.494848 0.897410 0.370911 C\n0.481151 0.071599 0.551322 C\n0.337666 0.549457 0.825576 C\n0.337666 0.049458 0.325576 C\n0.324584 0.635997 0.916341 C\n0.324584 0.135997 0.416341 C\n0.474308 0.682535 0.248065 C\n0.474307 0.182536 0.748065 C\n0.481151 0.571599 0.051322 C\n0.282753 0.056466 0.878809 S\n0.282754 0.556466 0.378809 S\n0.772922 0.910343 0.152210 O\n0.547931 0.180520 0.614695 O\n0.547931 0.680520 0.114695 O\n0.772921 0.410343 0.652211 O\n",
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{
"id": "jvasp-112072",
"created_at": "2022-09-04T14:38:43.739093Z",
"updated_at": "2022-09-04T14:38:43.739112Z",
"structure_string": "H18 C24 N2 O2\n1.0\n3.824328 0.038724 0.019290\n1.388310 8.141284 0.511261\n-0.092391 0.072299 13.002538\nH C N O\n18 24 2 2\ndirect\n0.012954 0.005161 0.953674 H\n0.534607 0.233140 0.333097 H\n0.034606 0.233141 0.833097 H\n0.308181 0.445804 0.746139 H\n0.767507 0.720224 0.511959 H\n0.267505 0.720224 0.011959 H\n0.002527 0.221543 0.420300 H\n0.502527 0.221543 0.920301 H\n0.022523 0.938634 0.160420 H\n0.808181 0.445804 0.246139 H\n0.967947 0.059962 0.586441 H\n0.467947 0.059963 0.086441 H\n0.276131 0.651860 0.219662 H\n0.776131 0.651860 0.719662 H\n0.332221 0.608454 0.580403 H\n0.832220 0.608454 0.080403 H\n0.512955 0.005161 0.453674 H\n0.522523 0.938634 0.660420 H\n0.632666 0.242804 0.178289 C\n0.132666 0.242805 0.678289 C\n0.182773 0.928792 0.901904 C\n0.682774 0.928792 0.401904 C\n0.748656 0.489364 0.081482 C\n0.734650 0.397854 0.174691 C\n0.326783 0.767064 0.935115 C\n0.826784 0.767064 0.435115 C\n0.234650 0.397854 0.674691 C\n0.040526 0.667085 0.369065 C\n0.248656 0.489364 0.581483 C\n0.540525 0.667084 0.869065 C\n0.605481 0.730152 0.770157 C\n0.661758 0.425428 0.990020 C\n0.746305 0.994466 0.302714 C\n0.246304 0.994467 0.802715 C\n0.051284 0.179175 0.585652 C\n0.551284 0.179174 0.085652 C\n0.105481 0.730152 0.270157 C\n0.065876 0.270300 0.492409 C\n0.565875 0.270300 0.992410 C\n0.960867 0.891552 0.237101 C\n0.460867 0.891552 0.737101 C\n0.161759 0.425428 0.490020 C\n0.600231 0.158955 0.274322 N\n0.100230 0.158955 0.774322 N\n0.693236 0.502148 0.892532 O\n0.193237 0.502148 0.392532 O\n",
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{
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"structure_string": "Sn2 H18 C18 N2 O8\n1.0\n6.223331 0.128707 1.397154\n1.878528 8.316528 1.655507\n0.127523 0.305817 9.423473\nSn H C N O\n2 18 18 2 8\ndirect\n0.757918 0.779280 0.524886 Sn\n0.257658 0.779474 0.024924 Sn\n0.742569 0.328001 0.189326 H\n0.891312 0.786259 0.928174 H\n0.822919 0.786563 0.124332 H\n0.516215 0.095845 -0.015038 H\n0.987699 0.517388 0.044496 H\n0.503772 0.719845 0.237135 H\n0.855504 0.970520 -0.006442 H\n0.870074 0.555083 0.757052 H\n0.610679 0.574210 0.114981 H\n0.242925 0.327920 0.689280 H\n0.488113 0.517249 0.544439 H\n0.323294 0.786259 0.624578 H\n0.355641 0.970204 0.493705 H\n0.004037 0.719574 0.737147 H\n0.391401 0.785883 0.428428 H\n0.369818 0.555316 0.257148 H\n0.016528 0.095640 0.484950 H\n0.110964 0.574022 0.614917 H\n0.430817 0.428244 0.933255 C\n0.915299 0.283842 0.141920 C\n0.910784 0.838503 0.018029 C\n0.003397 0.117488 0.162234 C\n0.346528 0.150862 0.031328 C\n0.051698 0.386618 0.064011 C\n0.273938 0.320512 0.011966 C\n0.859277 0.013312 0.264543 C\n0.461632 0.639759 0.179777 C\n0.774311 0.320339 0.511933 C\n0.552083 0.386478 0.563971 C\n0.415650 0.283733 0.641886 C\n0.503695 0.117373 0.662217 C\n0.846852 0.150684 0.531316 C\n0.931207 0.428053 0.433204 C\n0.961905 0.639546 0.679724 C\n0.410989 0.838194 0.518204 C\n0.359485 0.013271 0.764538 C\n0.213714 0.050274 0.101589 N\n0.714001 0.050119 0.601587 N\n0.468834 0.882886 0.843352 O\n0.834767 0.582759 0.400116 O\n0.155636 0.055714 0.779402 O\n0.632220 0.369108 0.901764 O\n0.968763 0.882882 0.343245 O\n0.655423 0.055703 0.279486 O\n0.132605 0.368903 0.401713 O\n0.334351 0.582940 0.900191 O\n",
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"formula_full": "Sn2 H18 C18 N2 O8",
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{
"id": "jvasp-112049",
"created_at": "2022-09-04T14:38:43.295719Z",
"updated_at": "2022-09-04T14:38:43.295744Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.186412 -0.190639 -0.182048\n-1.322724 4.234221 -0.273169\n0.182758 -0.174150 10.694502\nZn H C O\n1 10 7 4\ndirect\n0.126632 0.935526 0.182657 Zn\n0.596979 0.160430 0.526683 H\n0.403554 0.135173 0.769217 H\n0.835416 0.253222 0.819389 H\n0.958097 0.756385 0.710721 H\n0.532634 0.635566 0.654113 H\n0.341278 0.611479 0.887560 H\n0.785450 0.783318 0.920562 H\n0.760659 0.682320 0.430623 H\n0.163741 0.805907 0.505408 H\n0.011144 0.255753 0.593575 H\n0.084045 0.458221 0.349706 C\n0.956455 0.590625 0.465197 C\n0.820980 0.361945 0.565628 C\n0.734810 0.542108 0.680731 C\n0.632980 0.346501 0.793367 C\n0.573185 0.555127 0.906209 C\n0.538178 0.395411 0.026984 C\n0.745101 0.518445 0.120136 O\n0.288440 0.651366 0.282367 O\n0.982563 0.153770 0.325285 O\n0.291410 0.126185 0.028893 O\n",
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{
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"structure_string": "Sn1 H16 C9 O4\n1.0\n4.544526 -0.043054 -0.684890\n-1.669095 6.611836 -1.016979\n-0.122473 0.204683 8.622412\nSn H C O\n1 16 9 4\ndirect\n0.154599 0.358519 0.632703 Sn\n0.818172 0.748213 0.029185 H\n0.582789 0.689653 0.775402 H\n0.158887 0.984416 0.513957 H\n0.788166 0.025981 0.448680 H\n0.893342 0.969094 0.645792 H\n0.956276 0.907522 0.214557 H\n0.408633 0.733272 0.584496 H\n0.213291 0.744427 0.748821 H\n0.437576 0.774322 0.289195 H\n0.919756 0.632902 0.351656 H\n0.746175 0.438613 0.192372 H\n0.025335 0.236760 0.082148 H\n0.957936 0.049242 0.917301 H\n0.401218 0.930256 0.971922 H\n0.540888 0.086943 0.158184 H\n0.331174 0.600639 0.109496 H\n0.610121 -0.000890 0.061255 C\n0.840490 0.138545 0.988879 C\n0.696084 0.547569 0.281914 C\n0.528855 0.688292 0.200722 C\n0.720802 0.270292 0.878542 C\n0.527917 0.431460 0.391784 C\n0.367927 0.673179 0.692732 C\n0.973828 0.043304 0.550143 C\n0.745919 0.834760 0.125811 C\n0.674483 0.386207 0.517486 O\n0.917736 0.405489 0.833971 O\n0.435378 0.241589 0.832770 O\n0.238684 0.387794 0.366793 O\n",
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{
"id": "jvasp-112066",
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{
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}