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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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64776 29203984 1 SN3O3C16H21 AB3C3D16E21 -84.34 7.33 -9.72 -1.06 0
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64777 29203987 1 N3O3C14H21 A3B3C14D21 -61.74 10.9 -8.85 -0.72 0
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64778 29203988 1 ON3C15H19 AB3C15D19 3.04 1.79 -9.31 -0.72 0
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64779 29203989 1 O2N3C22H25 A2B3C22D25 -8.9 3.15 -8.96 -0.26 0
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64780 29203990 1 SN3O3C18H29 AB3C3D18E29 -124.4 8.73 -9.15 -0.61 0
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64781 29203991 1 SN3O3C14H19 AB3C3D14E19 -80.93 5.63 -9.62 -1.3 0
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64782 29203992 1 SO2N3C13H19 AB2C3D13E19 -82.31 7.71 -8.88 -0.48 0
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64783 29203995 1 N2O3C14H20 A2B3C14D20 -134.13 5.45 -9.23 -0.45 0
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64784 29203996 1 N2O3C14H20 A2B3C14D20 -133.54 5.16 -9.23 -0.46 0
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64785 29203997 1 ClON3C21H22 ABC3D21E22 17.58 4.46 -9.03 -0.82 0
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64786 29203999 1 SN3O4C15H25 AB3C4D15E25 -203.98 4.4 -9.42 -0.88 0
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64787 29204000 1 FO2N3C15H18 AB2C3D15E18 -67.7 4.61 -9.72 -0.91 0
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64788 29204001 1 N2O2C23H26 A2B2C23D26 -45.7 4.82 -9.09 -0.34 0
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64789 29204002 1 N2O5C27H36 A2B5C27D36 -182.27 3.79 -8.92 -0.43 0
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64790 29204003 1 N2O4C21H28 A2B4C21D28 -109.23 4.76 -9.56 -0.36 0
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64791 29204004 1 N2O4C21H28 A2B4C21D28 -110.38 5.31 -9.53 -0.25 0
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64792 29204005 1 N2O4C21H28 A2B4C21D28 -104.79 5.95 -9.52 -0.34 0
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64793 29204006 1 N2O4C21H28 A2B4C21D28 -108.48 5.48 -9.54 -0.31 0
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64794 29204007 1 N2O3C24H24 A2B3C24D24 -56.02 4.21 -9.4 -1.6 0
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64795 29204008 1 SN2O5C26H34 AB2C5D26E34 -174.48 8.99 -9.18 -0.8 0
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64796 29204009 1 SN2O5C26H34 AB2C5D26E34 -178.48 8.6 -9.08 -0.66 0
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64797 29204010 1 ClNO3C22H24 ABC3D22E24 -93.21 2.92 -9.15 -0.45 0
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64798 29204011 1 ClSN2O4C21H25 ABC2D4E21F25 -101.2 2.06 -9.45 -1.11 0
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64799 29204012 1 BrSN2O4C21H25 ABC2D4E21F25 -94.24 7.75 -9.34 -1.22 0
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64800 29204014 1 ClSN2O4C21H25 ABC2D4E21F25 -102.81 7.47 -9.5 -1.14 0
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64801 29204020 1 SN2O5C25H32 AB2C5D25E32 -189.91 2.72 -9.31 -0.47 0
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64802 29204021 1 N3O5C22H23 A3B5C22D23 -87.85 6.53 -9.55 -1.81 0
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64803 29204022 1 N3O3C25H27 A3B3C25D27 -79.08 2.93 -9.34 -0.44 0
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64804 29204023 2 NO2C13H15 AB2C13D15 -102.74 3.97 -8.6 -1.06 0
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64805 29204024 2 NO2C13H15 AB2C13D15 -102.58 6.75 -8.66 -1.0 0
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64806 29204026 2 NO2C13H15 AB2C13D15 -102.27 4.99 -8.68 -0.94 0
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64807 29204027 1 FN2S2O4H19C20 AB2C2D4E19F20 -102.92 8.86 -9.54 -1.3 -1
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64808 29204028 1 ClN2S2O5C21H24 AB2C2D5E21F24 -149.76 5.14 0.0 0.0 -1
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64809 29204031 1 ClN2S2O5C21H24 AB2C2D5E21F24 -108.92 23.46 0.0 0.0 0
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64810 29204032 1 ClN2S2O5C21H25 AB2C2D5E21F25 -185.96 7.63 -9.49 -1.43 0
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64811 29204033 1 FSN2O5H19C20 ABC2D5E19F20 -139.78 8.54 -9.75 -1.29 0
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64812 29204035 1 ClN2S2O5C21H25 AB2C2D5E21F25 -184.74 8.82 -9.63 -1.53 0
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64813 29204036 1 FSN2O5C21H21 ABC2D5E21F21 -149.0 8.74 -9.52 -1.21 0
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64814 29204037 2 NOC9H12 ABC9D12 -78.23 4.98 -9.22 -0.17 0
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64815 29204038 1 FSN2O5C21H21 ABC2D5E21F21 -150.64 9.15 -9.49 -1.25 0
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64816 29204039 2 NOC9H12 ABC9D12 -77.39 6.57 -9.33 -0.52 0
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64817 29204040 2 NOC9H12 ABC9D12 -72.09 5.97 -8.9 -0.14 0
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64818 29204041 1 N2O3C20H30 A2B3C20D30 -143.83 2.3 -9.14 -0.28 0
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64819 29204042 1 N2O3C20H30 A2B3C20D30 -142.86 1.68 -9.14 -0.31 0
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64820 29204044 1 N2O5C22H34 A2B5C22D34 -215.51 2.4 -8.86 -0.18 0
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64821 29204045 1 SN2O3C17H26 AB2C3D17E26 -135.49 2.77 -9.42 0.16 0
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64822 29204047 1 SN2O3C17H26 AB2C3D17E26 -136.26 2.62 -9.43 0.16 0
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64823 29204048 1 N2O5C22H34 A2B5C22D34 -215.14 3.45 -8.9 -0.32 0
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64824 29204050 1 N3O3C18H25 A3B3C18D25 -57.52 8.48 -8.8 -0.8 0
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64825 29204051 1 N3O3C18H25 A3B3C18D25 -56.3 10.29 -8.82 -0.82 0
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64826 29204052 1 ClON3C19H24 ABC3D19E24 -12.89 5.18 -9.1 -0.22 0
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64827 29204053 1 ClON3C19H24 ABC3D19E24 -12.95 4.0 -9.13 -0.16 0
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64828 29204054 1 ClON3C19H24 ABC3D19E24 -12.76 4.61 -9.1 -0.22 0
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64829 29204057 1 SN3O3C20H31 AB3C3D20E31 -128.52 5.64 -8.6 -0.08 0
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64830 29204058 1 ON3C19H25 AB3C19D25 -13.59 3.26 -9.01 -0.4 0
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64831 29204059 1 ON3C19H25 AB3C19D25 -14.53 3.42 -9.03 -0.39 0
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64832 29204060 1 ON3C19H25 AB3C19D25 -12.89 5.18 -9.03 -0.41 0
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64833 29204061 1 ON3C20H27 AB3C20D27 -18.77 6.02 -9.01 -0.16 0
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64834 29204064 1 N3O3C25H29 A3B3C25D29 -44.69 4.19 -8.14 -0.59 0
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64835 29204065 1 N3O3C25H29 A3B3C25D29 -41.7 6.9 -8.54 -0.72 0
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64836 29204066 1 N3O3C25H29 A3B3C25D29 -44.68 3.69 -8.46 -0.6 0
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64837 29204070 1 N3O3C25H29 A3B3C25D29 -49.23 2.55 -8.4 -0.47 0
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64838 29204072 1 N3O3C25H29 A3B3C25D29 -50.01 6.59 -8.69 -0.68 0
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64839 29204075 1 ClON3C20H26 ABC3D20E26 -23.03 5.63 -9.07 -0.14 0
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64840 29204077 1 N2O3C19H22 A2B3C19D22 -93.14 5.2 -9.62 -1.56 0
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64841 29204079 1 ON2C16H20 AB2C16D20 -23.51 3.35 -8.71 -0.38 0
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64842 29204083 1 O2N3C15H21 A2B3C15D21 -86.36 6.26 -9.04 -0.24 0
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64843 29204084 1 O2N3C15H21 A2B3C15D21 -85.57 6.23 -9.04 -0.22 0
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64844 29204085 1 O2N3C16H23 A2B3C16D23 -89.16 7.51 -9.24 -0.22 0
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64845 29204086 1 O2N3C16H23 A2B3C16D23 -90.43 6.21 -9.25 -0.23 0
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64846 29204087 1 O2N3C16H23 A2B3C16D23 -88.14 2.0 -9.3 -0.32 0
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64847 29204088 1 SN3O3C16H23 AB3C3D16E23 -142.43 3.6 -8.94 -0.55 0
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64848 29204089 1 SN3O3C16H23 AB3C3D16E23 -143.54 3.57 -8.93 -0.55 0
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64849 29204090 1 SN3O3C16H23 AB3C3D16E23 -141.97 3.67 -8.95 -0.56 0
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64850 29204091 1 N3O3C16H23 A3B3C16D23 -50.03 8.77 -8.89 -0.92 0