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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46762 10527087 1 O3C30H32 A3B30C32 -52.35 4.68 -9.49 -0.06 0
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46763 10527103 1 SiO3C27H40 AB3C27D40 -161.77 2.44 -9.17 0.03 0
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46764 10527105 1 ClN2O4C24H25 AB2C4D24E25 -99.37 4.26 -9.36 -0.54 0
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46765 10527110 2 ClSO4H5C7 ABC4D5E7 -289.24 8.92 -9.89 -2.1 0
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46766 10527117 1 SN3O6H19C21 AB3C6D19E21 -133.9 3.44 -9.23 -0.85 0
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46767 10527122 1 N3O6C23H27 A3B6C23D27 -191.17 4.11 -9.48 -0.54 0
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46768 10527123 1 O3N5H23C25 A3B5C23D25 -37.6 3.6 -8.42 -1.34 0
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46769 10527128 1 N3O5C24H31 A3B5C24D31 -194.33 9.63 -8.82 -0.26 2
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46770 10527161 1 FeOH22C29 ABC22D29 103.64 1.29 -8.36 -0.75 0
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46771 10527170 2 O4C12H13 A4B12C13 -289.89 3.31 -9.49 0.04 0
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46772 10527174 1 SN2O6C22H22 AB2C6D22E22 -189.43 10.33 -8.67 -1.36 0
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46773 10527175 1 F2O2H24C29 A2B2C24D29 -73.44 1.76 -9.31 -0.8 0
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46774 10527193 1 N2O2C29H34 A2B2C29D34 -26.89 5.03 -8.98 0.16 0
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46775 10527198 1 SiO2C29H34 AB2C29D34 -63.07 2.91 -8.9 -0.65 0
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46776 10527219 1 SnC23H48 AB23C48 -71.41 0.5 -9.41 0.98 0
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46777 10527228 1 NO5H25C27 AB5C25D27 -138.08 3.96 -9.26 -0.31 0
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46778 10527240 1 NO3C29H33 AB3C29D33 -65.42 5.28 -8.12 -0.05 0
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46779 10527254 1 SN2F3O4C20H23 AB2C3D4E20F23 -249.08 12.01 -9.17 -0.48 0
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46780 10527260 1 SN2O8C19H28 AB2C8D19E28 -316.94 5.05 -9.47 -0.47 0
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46781 10527274 1 N2O7C22H40 A2B7C22D40 -398.63 7.01 -9.77 0.64 0
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46782 10527275 1 N2O7C22H40 A2B7C22D40 -391.65 7.16 -9.91 -0.21 0
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46783 10527286 2 OC15H26 AB15C26 -188.9 2.2 -9.85 2.83 0
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46784 10527287 3 C11H16 A11B16 21.9 0.17 -8.99 0.26 0
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46785 10527314 1 NO5C27H27 AB5C27D27 -106.95 5.96 -8.85 -0.44 0
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46786 10527320 1 NSO5C24H31 ABC5D24E31 -173.23 6.8 -8.37 -0.35 0
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46787 10527343 1 BrSO2N3C20H20 ABC2D3E20F20 1.88 5.76 -9.17 -1.34 0
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46788 10527350 1 N2F3O5C21H29 A2B3C5D21E29 -399.84 7.45 -9.0 -0.67 0
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46789 10527368 1 SiN2O5C23H34 AB2C5D23E34 -268.62 6.8 -9.1 -0.28 0
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46790 10527369 1 O5C27H42 A5B27C42 -258.43 6.75 -9.52 1.04 0
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46791 10527371 1 SN4C27H34 AB4C27D34 69.23 0.7 -8.08 -0.71 0
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46792 10527372 1 SiN2O4C24H38 AB2C4D24E38 -213.01 4.34 -9.01 0.11 0
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46793 10527373 1 OSiN4C26H34 ABC4D26E34 -3.19 4.59 -9.01 0.13 0
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46794 10527389 1 NO8C23H29 AB8C23D29 -323.28 7.05 -9.88 -0.6 0
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46795 10527392 1 NPSO7C19H30 ABCD7E19F30 -324.82 3.81 -8.85 -0.85 0
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46796 10527402 1 NO5C27H29 AB5C27D29 -117.45 2.37 -8.22 0.17 0
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46797 10527405 1 NO5C27H29 AB5C27D29 -151.2 4.67 -8.28 -0.38 0
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46798 10527419 1 NO2H29C31 AB2C29D31 -0.04 2.96 -8.78 0.13 0
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46799 10527431 1 ClO5N7C18H18 AB5C7D18E18 -132.58 4.31 -9.28 -1.38 0
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46800 10527433 1 ClNO6C23H26 ABC6D23E26 -255.59 5.19 -8.49 -0.64 0
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46801 10527443 1 N2P2O7C18H30 A2B2C7D18E30 -383.39 6.52 -9.38 -0.14 0
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46802 10527444 1 BrNO3C23H30 ABC3D23E30 -103.97 2.63 -7.57 0.2 0
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46803 10527459 8 OC3H4 AB3C4 -334.79 7.81 -10.61 -0.34 0
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46804 10527463 1 N2O5C26H28 A2B5C26D28 -142.88 10.85 -8.47 -1.43 0
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46805 10527470 1 SO3N4C24H24 AB3C4D24E24 -8.33 15.06 -8.85 -0.68 0
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46806 10527472 2 NO3C12H18 AB3C12D18 -293.23 1.82 -9.63 -0.01 0
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46807 10527474 1 N2O4C27H32 A2B4C27D32 -80.16 2.5 -8.71 -0.81 0
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46808 10527475 1 SO6C24H32 AB6C24D32 -193.88 5.69 -9.18 -0.09 0
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46809 10527477 1 N2O5C25H40 A2B5C25D40 -218.85 6.02 -8.7 0.07 0
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46810 10527483 1 ClFPN2O8H15C16 ABCD2E8F15G16 -417.48 3.66 -9.6 -0.87 0
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46811 10527484 2 SiO2C12H20 AB2C12D20 -258.63 5.47 -8.52 0.31 0