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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48748 11528291 2 H49C55 A49B55 663.5 0.89 -8.43 -1.39 0
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48749 11528292 1 Cl2N3O27C66H83 A2B3C27D66E83 -1109.21 1.44 -9.65 -0.79 0
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48750 11528293 1 SN2Si2O15C79H122 AB2C2D15E79F122 -817.08 4.72 -8.75 0.04 0
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48751 11528294 1 PS2N13O16C67H92 AB2C13D16E67F92 -758.52 11.6 -8.98 -1.0 0
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48752 11528295 1 O12N16C75H116 A12B16C75D116 -621.27 8.31 -9.29 -0.01 0
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48753 11528296 2 NO7C43H78 AB7C43D78 -900.74 10.17 -9.21 0.44 0
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48754 11528297 1 N5O35C61H87 A5B35C61D87 -1471.06 21.85 -8.99 -1.63 0
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48755 11528298 1 SP2N13O20C64H89 AB2C13D20E64F89 -722.51 11.13 -8.44 -1.71 0
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48756 11528299 6 NSiC15H20 ABC15D20 56.41 0.92 -8.24 -0.89 0
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48757 11528300 1 NPO27C71H136 ABC27D71E136 -1400.91 11.71 -9.16 -0.14 0
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48758 11528301 1 P3O19C81H97 A3B19C81D97 -828.38 4.59 -8.96 -0.21 0
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48759 11528302 1 N12O15C80H118 A12B15C80D118 -731.89 13.73 -9.01 -0.56 0
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48760 11528303 1 ISO16C85H91 ABC16D85E91 -348.53 10.64 -8.8 -1.22 0
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48761 11528304 1 NO36C70H113 AB36C70D113 -1675.81 9.65 -9.37 0.18 0
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48762 11528305 1 O25C85H136 A25B85C136 -1221.65 6.51 -7.51 -0.09 0
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48763 11528306 1 N2P2O12C91H186 A2B2C12D91E186 -971.87 20.79 -8.99 -0.23 2
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48765 11528308 1 SO10N13C85H167 AB10C13D85E167 -732.11 5.15 -8.94 -0.25 0
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48767 11528310 1 P2N4O17C83H164 A2B4C17D83E164 -1199.68 8.15 -9.58 0.13 0
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48768 11528311 2 S3Si6C39H67 A3B6C39D67 -311.81 5.96 -7.38 -0.86 0
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48769 11528312 6 NO2C17H25 AB2C17D25 -481.06 12.25 -7.84 -0.99 0
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48770 11528313 1 ClN11O19C86H142 AB11C19D86E142 -946.96 10.46 -9.31 -0.76 0
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48771 11528314 3 ClN2S2O8C24H29 AB2C2D8E24F29 -701.59 25.73 -6.59 -2.33 3
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48772 11528315 3 ClSN2O4C24H28 ABC2D4E24F28 -268.49 22.82 0.0 0.0 0
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48774 11528317 1 BN4P5C18O25H26 AB4C5D18E25F26 -1280.07 9.62 -7.63 -1.25 0
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48775 11528318 1 S2N23O25C74H121 A2B23C25D74E121 -1051.98 13.79 -8.62 -1.57 0
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48776 11528319 1 O17N29C83H161 A17B29C83D161 -765.8 13.88 -7.8 -0.05 0
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48778 11528321 1 P2N5O34C94H163 A2B5C34D94E163 -1863.0 18.61 -8.82 -1.08 0
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48781 11528324 1 NaPO44C96H174 ABC44D96E174 -2227.95 107.76 -8.67 -3.85 0
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48782 11528325 1 PO44C96H175 AB44C96D175 -2272.8 8.76 -10.11 -0.08 1
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48783 11528326 1 KS16C30H52O73 AB16C30D52E73 -2930.89 10.98 0.0 0.0 0
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48784 11528327 1 S16C30H52O73 A16B30C52D73 -3000.66 11.38 -10.65 -1.74 0
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48785 11528328 2 O35C68H113 A35B68C113 -2765.95 9.34 -9.03 -0.62 0
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48786 11528329 1 Co A 91.13 0.0 0.0 0.0 0
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48787 11528330 1 OC4H6 AB4C6 -26.93 3.78 -10.23 -0.33 0
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48788 11528331 1 FOC3H7 ABC3D7 -110.37 1.78 -10.68 2.36 0
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48789 11528332 1 LiSC3H7 ABC3D7 -34.44 6.9 -7.92 1.7 0
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48790 11528333 1 OC3H3N3 AB3C3D3 49.68 2.75 -10.98 -1.02 0
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48792 11528336 1 OC7H12 AB7C12 -32.52 2.17 -9.67 0.92 0
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48793 11528337 1 NOC6H11 ABC6D11 -52.63 3.9 -10.43 1.18 0
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48794 11528338 1 BOC6H15 ABC6D15 -109.99 1.7 -9.77 1.42 0
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48795 11528339 2 OC3H6 AB3C6 -105.58 3.59 -10.0 0.32 0
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48796 11528340 2 NOC2H5 ABC2D5 -105.99 3.55 -9.93 1.04 0
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48797 11528341 3 C3H4 A3B4 13.47 0.79 -8.68 0.64 0
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48798 11528342 1 ClO2C4H7 AB2C4D7 -100.29 2.89 -10.38 -0.36 0
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48799 11528343 1 LiN3H4C6 AB3C4D6 82.68 5.31 -8.22 0.38 0
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48800 11528344 1 OLi2C7H12 AB2C7D12 -40.54 6.79 -6.34 0.98 0
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48801 11528345 1 O2C7H12 A2B7C12 -84.96 2.02 -9.29 1.34 0
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48802 11528346 1 OSC6H8 ABC6D8 -24.59 1.7 -9.16 -0.28 0
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48803 11528347 3 OC2H4 AB2C4 -158.85 2.42 -10.21 1.63 0
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48804 11528348 1 NS2C4H7 AB2C4D7 29.25 3.91 -9.06 -0.59 0
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48805 11528349 1 NS2C4H7 AB2C4D7 33.06 4.61 -9.0 -0.18 0
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48806 11528350 1 ON2H6C7 AB2C6D7 -3.49 4.98 -8.68 -0.31 0
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48807 11528351 1 N2O3C4H12 A2B3C4D12 -75.83 2.03 -9.59 1.21 0
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48808 11528352 1 ON3C6H7 AB3C6D7 43.85 1.74 -9.18 -0.77 0
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48809 11528353 1 NOC8H13 ABC8D13 -34.97 4.03 -8.84 0.35 0
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48810 11528354 1 NOC8H13 ABC8D13 9.51 1.41 -9.3 1.08 0
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48811 11528355 1 NC9H17 AB9C17 -5.3 1.41 -8.88 1.11 0
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48812 11528356 1 NC9H17 AB9C17 -10.96 1.89 -8.97 1.22 0
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48813 11528357 1 ClNO2C4H12 ABC2D4E12 -132.41 5.95 -10.06 0.84 0
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48814 11528358 1 NO2C4H11 AB2C4D11 -93.84 1.9 -9.66 1.83 0
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48815 11528359 1 NO2C7H13 AB2C7D13 -107.2 7.86 -10.2 1.22 0
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48816 11528360 1 OC9H20 AB9C20 -90.46 1.88 -10.31 2.7 0
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48817 11528361 1 NOC9H9 ABC9D9 11.18 1.83 -8.64 -0.19 0
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48818 11528362 1 C5O5H6 A5B5C6 -204.6 3.32 -11.22 -1.9 0
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48819 11528363 1 NO4C5H11 AB4C5D11 -124.42 2.99 -10.87 -0.73 0
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48820 11528364 1 NO2H7C8 AB2C7D8 -54.57 3.37 -9.34 -0.69 0
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48821 11528365 1 NO2H7C8 AB2C7D8 -21.7 4.72 -10.06 -0.95 0
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48822 11528366 1 ON3C7H7 AB3C7D7 10.7 5.96 -8.9 -0.32 0
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48823 11528367 5 COH2 ABC2 -234.43 6.6 -10.79 0.49 0
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48824 11528368 1 ON2C8H10 AB2C8D10 -0.51 4.31 -9.98 -0.57 0
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48825 11528370 5 COH2 ABC2 -231.8 2.58 -10.44 -0.2 0
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48826 11528371 1 ON3C7H9 AB3C7D9 32.88 2.47 -9.07 -0.67 0
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48827 11528372 1 NOC9H13 ABC9D13 8.12 3.42 -9.06 -0.39 0
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48828 11528373 1 N3C8H13 A3B8C13 24.31 3.67 -9.06 0.9 0
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48829 11528374 1 O2C9H12 A2B9C12 -80.33 4.64 -9.7 0.31 0