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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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340771 127262783 1 PO2C41H43 AB2C41D43 -34.25 5.7 -8.32 -0.22 0
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340772 127262784 1 PO4C34H39 AB4C34D39 -159.99 5.92 -7.75 -0.73 0
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340773 127262785 1 PO2C34H39 AB2C34D39 -39.6 1.84 -7.59 -0.4 0
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340774 127262786 1 OPH41C42 ABC41D42 41.95 0.73 -8.21 -0.56 0
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340775 127262787 1 P2O4C55H70 A2B4C55D70 -182.61 1.8 -8.37 0.27 0
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340776 127262788 1 P2O4C55H70 A2B4C55D70 -177.72 2.45 -8.41 0.24 0
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340777 127262789 2 OPC25H30 ABC25D30 -100.8 2.63 -8.33 0.11 0
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340778 127262790 2 OPC30H40 ABC30D40 -162.25 3.91 -8.34 0.13 0
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340779 127262791 2 OPC26H32 ABC26D32 -109.98 4.61 -8.31 0.04 0
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340780 127262792 1 OPC47H65 ABC47D65 -102.11 0.8 -7.91 0.52 0
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340781 127262793 1 PSC38H51 ABC38D51 -42.95 1.71 -8.15 0.01 0
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340782 127262794 1 PO3C39H53 AB3C39D53 -144.7 3.51 -7.63 0.18 0
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340783 127262795 1 PO5C33H43 AB5C33D43 -177.9 5.03 -7.84 -0.21 0
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340784 127262796 1 PO4C32H47 AB4C32D47 -187.99 1.1 -7.78 0.06 0
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340785 127263220 1 ClNO2C11H16 ABC2D11E16 -106.98 3.0 -9.47 0.31 0
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340786 127263221 1 N2O6C29H38 A2B6C29D38 -265.95 5.51 -8.76 -0.31 0
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340787 127263222 1 ClO4N5C28H36 AB4C5D28E36 -138.76 2.93 -9.45 -1.17 0
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340788 127263223 1 ClNO4C10H20 ABC4D10E20 -248.57 3.28 -10.11 0.22 0
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340789 127263224 1 NO4C10H19 AB4C10D19 -211.79 1.91 -9.99 0.58 0
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340790 127263225 1 BrClFNOC8H10 ABCDEF8G10 -107.61 3.45 -9.87 -0.8 0
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340791 127263226 1 ClFNOC4H11 ABCDE4F11 -138.07 3.01 -9.4 1.73 0
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340792 127263227 1 Cl2N2O2C11H24 A2B2C2D11E24 -198.31 2.22 -8.96 0.71 0
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340793 127263228 1 BrINCl2H3C5 ABCD2E3F5 5.94 2.21 -10.17 -1.92 0
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340794 127263229 1 SO3N7C23H25 AB3C7D23E25 -0.13 14.63 -8.57 -1.08 0
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340795 127263230 1 N2O6C15H22 A2B6C15D22 -169.47 4.24 -8.98 -1.12 0
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340796 127263231 1 ClN2O6C15H23 AB2C6D15E23 -201.56 3.39 -8.97 -1.12 0
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340797 127263232 1 SN2O2C9H10 AB2C2D9E10 -13.8 1.35 -9.21 -1.03 0
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340798 127263233 1 LiP2N5C10O10H14 AB2C5D10E10F14 -541.52 8.87 -9.91 -1.27 0
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340799 127263234 1 K2P2N4C10O11H12 A2B2C4D10E11F12 -660.58 25.8 -8.89 -0.42 0
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340800 127263235 1 N3Na3P3C9H13O14 A3B3C3D9E13F14 -1011.45 10.31 -9.44 -0.3 0
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340801 127263236 1 Na2P3N4C10H13O14 A2B3C4D10E13F14 -890.62 10.85 -8.9 -0.5 0
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340802 127263237 1 NCl2O5H19C24 AB2C5D19E24 -159.39 5.82 -9.03 -0.8 0
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340803 127263238 3 N2O2H10C11 A2B2C10D11 -129.35 7.08 -8.57 -0.44 0
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340804 127263239 1 N2O3C13H16 A2B3C13D16 -101.86 2.67 -9.6 -0.78 0
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340805 127263240 1 ClON2C9H21 ABC2D9E21 -98.64 2.42 -8.94 1.06 0
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340806 127263241 1 BrIN2H4C5 ABC2D4E5 61.9 0.57 -10.01 -1.69 0
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340807 127263242 1 ClN2O2C6H7 AB2C2D6E7 -69.46 4.3 -10.62 -1.72 0
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340808 127263243 1 FO2N3H14C17 AB2C3D14E17 -29.68 6.99 -8.82 -0.92 0
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340809 127263244 2 NO2C7H7 AB2C7D7 -136.76 5.81 -8.84 -0.33 0
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340810 127263245 2 ClNOC5H11 ABCD5E11 -195.0 5.78 -9.74 0.5 0
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340811 127263246 1 NO3C14H23 AB3C14D23 -156.07 2.09 -9.45 0.32 0
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340812 127263247 1 NO3C11H17 AB3C11D17 -137.81 3.13 -9.21 0.29 0
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340813 127263248 1 NO3C15H19 AB3C15D19 -117.96 0.87 -9.65 -0.06 0
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340814 127263249 1 N2O6C15H28 A2B6C15D28 -319.24 4.04 -9.69 0.22 0
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340815 127263250 1 NF3O4H8C10 AB3C4D8E10 -283.98 4.57 -11.16 -2.08 0
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340816 127263251 2 BrNO2C20H25 ABC2D20E25 -22.25 137.38 -4.26 -4.24 2
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340818 127263253 1 BrN2O2C19H31 AB2C2D19E31 -86.04 13.92 -8.05 -1.07 0
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340819 127263254 1 BrNO2C20H26 ABC2D20E26 -7.01 36.45 -5.45 -3.71 0
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340820 127263255 1 BrNO2C21H28 ABC2D21E28 -5.35 55.37 -5.25 -4.23 0
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340821 127263256 1 BrNO2C28H40 ABC2D28E40 -44.27 35.03 -6.41 -2.79 0
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340822 127263257 1 BrN2O2C22H33 AB2C2D22E33 -56.53 6.63 -8.73 -1.76 0
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340823 127263258 1 BrNO2C26H44 ABC2D26E44 -94.1 25.54 -6.59 -2.35 0
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340824 127263259 1 BrNO2C22H36 ABC2D22E36 -57.1 37.03 -5.29 -3.47 0
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340825 127263260 1 BrNO2C18H28 ABC2D18E28 -88.07 4.68 -7.59 -0.34 0
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340826 127263261 1 BrN2O2C27H47 AB2C2D27E47 -59.72 126.88 -4.44 -3.75 0
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340827 127263262 1 BrN2O2C23H39 AB2C2D23E39 -116.74 3.95 -7.96 0.02 0
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340828 127263263 1 BrNO4C21H34 ABC4D21E34 -125.17 84.1 -5.02 -4.39 0
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340829 127263264 2 BrNO2C28H41 ABC2D28E41 -107.1 215.95 -3.96 -3.96 2
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340833 127263268 1 BrNO2C20H32 ABC2D20E32 -89.26 12.94 -8.65 -1.6 0
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340834 127263269 1 BrN3O6C22H28 AB3C6D22E28 -47.54 29.21 -6.1 -2.73 1
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340835 127263270 1 N3O6C22H28 A3B6C22D28 -77.0 3.83 0.0 0.0 0
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340836 127263271 1 O3N5C19H19 A3B5C19D19 -16.54 4.47 -8.83 -1.01 0
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340837 127263272 1 ClN3O3C25H30 AB3C3D25E30 -99.0 3.03 -8.86 0.09 0
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340839 127263274 1 ClNO2C12H16 ABC2D12E16 -109.18 3.62 -10.26 -1.04 0
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340840 127263275 1 BNO4C14H20 ABC4D14E20 -232.96 7.56 -9.78 -0.4 0
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340841 127263276 1 NCl2C8H11 AB2C8D11 -30.47 1.65 -9.61 -0.3 0
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340843 127263278 1 ClNO4C12H22 ABC4D12E22 -247.86 7.69 -10.17 0.05 0
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340844 127263279 1 ClNO3C10H16 ABC3D10E16 -148.37 2.27 -9.32 -0.47 0
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340845 127263280 1 ClNO3C10H16 ABC3D10E16 -148.66 7.51 -8.82 -0.17 0
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340846 127263281 1 BrCl2N2C7H11 AB2C2D7E11 -53.13 8.32 -10.05 -0.66 0
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340847 127263282 1 N2Cl3C13H21 A2B3C13D21 -66.33 5.17 -9.06 -0.26 0
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340848 127263283 1 O2N3C12H17 A2B3C12D17 -53.54 4.47 -8.72 0.16 0
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340849 127263284 1 ClN2O3C22H29 AB2C3D22E29 -130.51 2.93 -8.68 -0.08 0
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340850 127263285 1 ClNO2F3C7H11 ABC2D3E7F11 -291.98 1.98 -10.12 -0.22 0
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340851 127263286 2 ON2C6H7 AB2C6D7 -19.89 7.54 -8.48 -0.88 0