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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407957 135080712 1 NO5C8H15 AB5C8D15 -236.47 4.19 -9.97 0.47 0
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407959 135080714 1 BrO2C6H13 AB2C6D13 -118.53 2.87 -10.62 -0.2 0
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407960 135080715 1 FNOC7H14 ABCD7E14 -125.33 5.25 -9.94 0.82 0
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407961 135080716 1 NO3C10H15 AB3C10D15 -129.87 2.68 -10.21 0.3 0
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407962 135080717 1 OC14H16 AB14C16 -26.2 3.4 -9.3 0.26 0
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407963 135080718 3 OC3H4 AB3C4 -93.46 2.67 -8.88 0.1 0
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407964 135080719 1 ClSC14H19 ABC14D19 1.73 2.17 -8.75 -0.01 0
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407966 135080721 1 ZnH4N8F28C40 AB4C8D28E40 -984.81 7.32 -8.93 -3.93 0
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407967 135080722 2 H3N4F14C20 A3B4C14D20 -1146.82 6.15 -9.19 -3.79 0
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407968 135080723 1 MgN16C32H48 AB16C32D48 444.22 16.33 -6.76 -0.87 0
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407969 135080724 1 MgN8O14H68C89 AB8C14D68E89 179.57 11.53 -7.08 -2.27 0
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407970 135080725 1 N8O14H70C89 A8B14C70D89 195.14 3.48 -7.97 -2.48 0
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407971 135080726 1 NiN11H21C29 AB11C21D29 587.63 6.51 -8.06 -2.47 0
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407972 135080727 1 N11H23C29 A11B23C29 304.48 5.38 -8.22 -2.75 0
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407973 135080728 1 NiN10C30H30 AB10C30D30 471.39 11.75 -7.56 -3.66 0
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407974 135080729 2 N5C15H16 A5B15C16 233.22 10.24 -7.9 -2.39 0
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407975 135080730 1 ClNO2C9H16 ABC2D9E16 -77.67 2.17 -9.28 0.41 0
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407976 135080731 1 ClNPO4C12H17 ABCD4E12F17 -199.78 8.56 -8.61 -0.57 0
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407977 135080732 1 CoO4Cl12N12H16C52 AB4C12D12E16F52 583.14 44.08 0.0 0.0 0
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407978 135080733 2 O2Cl6N6H9C26 A2B6C6D9E26 275.78 11.33 -8.43 -2.99 0
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407979 135080734 1 CoCl8O8N16H32C72 AB8C8D16E32F72 647.71 20.96 0.0 0.0 0
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407980 135080735 2 Cl4O4N8H17C36 A4B4C8D17E36 422.37 13.44 -8.13 -2.58 0
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407981 135080736 1 NiN8H44C48 AB8C44D48 386.9 9.21 -8.23 -2.02 0
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407982 135080737 1 PCl2O3C8H15 AB2C3D8E15 -194.02 1.97 -9.81 -0.27 0
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407983 135080738 1 ClOC10H11 ABC10D11 -29.83 1.33 -9.47 -0.18 0
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407984 135080739 1 O4C7H12 A4B7C12 -160.05 7.74 -10.36 -0.47 0
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407985 135080740 2 FSH3C5 ABC3D5 -24.61 1.28 -9.15 -0.75 0
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407986 135080741 1 OC11H14 AB11C14 -29.27 2.67 -9.17 0.32 0
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407987 135080742 1 ON2C9H10 AB2C9D10 6.96 4.72 -9.57 -0.56 0
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407988 135080743 1 ClSiO3C12H23 ABC3D12E23 -197.17 2.52 -8.89 -0.03 0
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407989 135080744 1 NO2S2C9H9 AB2C2D9E9 -48.32 5.84 -8.09 -1.12 0
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407990 135080745 1 OC15H18 AB15C18 -4.63 2.28 -9.31 0.37 0
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407991 135080746 1 NO6C9H17 AB6C9D17 -281.54 6.47 -9.9 0.76 0
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407992 135080747 1 PSC6O8H13 ABC6D8E13 -419.03 3.6 -9.99 -0.92 -2
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407993 135080748 1 NO4C8H11 AB4C8D11 -151.49 1.41 -8.63 0.31 -2
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407994 135080749 1 NO4C9H13 AB4C9D13 -156.18 1.76 -8.62 0.31 -2
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407995 135080750 1 NO5C7H11 AB5C7D11 -187.91 0.38 -8.92 0.07 0
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407996 135080751 1 NOF3H10C11 ABC3D10E11 -165.81 3.61 -10.26 -0.79 -2
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407997 135080752 1 NO4C9H13 AB4C9D13 -167.25 1.5 -8.54 0.28 0
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407998 135080753 1 NO2C8H13 AB2C8D13 -80.84 4.26 -11.09 0.44 0
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408000 135080755 1 ClO3C10H11 AB3C10D11 -99.48 4.73 -9.58 -0.88 0
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408001 135080756 1 BrSF2C7H11 ABC2D7E11 -107.1 3.65 -8.85 -0.68 0
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408002 135080757 1 FO3C7H11 AB3C7D11 -193.42 3.33 -10.14 0.02 0
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408003 135080758 1 NOF3C4H6 ABC3D4E6 -204.04 3.48 -10.78 -0.16 0
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408004 135080759 1 O3C13H14 A3B13C14 -61.71 1.77 -9.5 -0.18 0
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408005 135080760 1 NOC11H17 ABC11D17 -37.6 3.1 -7.89 0.31 0
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408006 135080761 1 OCl3C13H13 AB3C13D13 -27.79 1.36 -9.36 -0.42 0
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408007 135080762 1 O2S3H12C13 A2B3C12D13 -20.7 4.32 -8.94 -1.12 1
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408008 135080763 1 ON2C8H9 AB2C8D9 -8.87 3.9 0.0 0.0 0
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408009 135080764 1 NPO3C12H24 ABC3D12E24 -232.63 5.34 -9.13 1.35 0
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408010 135080765 1 NOC13H21 ABC13D21 -53.18 4.76 -8.0 0.37 0
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408011 135080766 1 NSeO2C5H7 ABC2D5E7 -53.64 4.37 -8.6 -0.62 0
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408012 135080767 1 NS2O3C9H9 AB2C3D9E9 -60.36 1.58 -9.32 -1.87 0
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408013 135080768 1 ON5C9H17 AB5C9D17 37.94 7.47 -10.0 -0.16 0
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408014 135080769 1 O2F3C7H7 A2B3C7D7 -207.77 3.3 -9.59 -0.82 0
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408015 135080770 1 OCl4C5F6 AB4C5D6 -366.14 0.88 -11.78 -1.43 0
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408016 135080771 1 OSN2C12H16 ABC2D12E16 -18.39 5.9 -8.38 -0.04 0
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408017 135080772 1 O3C10H16 A3B10C16 -140.46 2.59 -10.25 0.26 0
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408018 135080773 1 NOC12H15 ABC12D15 18.04 3.39 -9.44 0.24 0
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408019 135080774 1 NOC14H19 ABC14D19 -26.06 2.55 -8.78 0.31 0
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408020 135080775 1 N2C13H18 A2B13C18 11.62 1.85 -8.09 0.46 0
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408021 135080776 1 OI2H10C11 AB2C10D11 68.05 1.75 -9.7 -1.12 0
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408022 135080777 1 ON2C10H18 AB2C10D18 -27.12 4.23 -9.51 0.75 0
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408023 135080778 2 NOC4H7 ABC4D7 -86.18 4.76 -10.49 0.69 0
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408024 135080779 1 BrNO3H10C11 ABC3D10E11 -105.42 4.88 -9.49 -0.49 0
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408025 135080780 1 ClO5C7H13 AB5C7D13 -249.16 4.67 -10.26 0.13 0
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408026 135080781 1 NC12H15 AB12C15 19.35 2.14 -9.06 -0.05 0
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408027 135080782 1 NO4C8H15 AB4C8D15 -124.5 4.72 -11.02 -0.53 0
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408028 135080783 1 NSiO2Cl3C8H8 ABC2D3E8F8 -110.74 5.33 -9.89 -1.35 0
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408029 135080784 1 NOC13H19 ABC13D19 -45.6 2.06 -9.63 0.11 0
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408030 135080785 1 ON3C11H15 AB3C11D15 29.72 4.43 -9.46 0.15 0
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408031 135080786 1 O3C14H18 A3B14C18 -126.48 1.22 -9.82 -0.67 0
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408032 135080787 1 FO2C9H17 AB2C9D17 -179.74 3.81 -11.24 0.32 0
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408033 135080788 1 BrOC13H17 ABC13D17 -26.39 2.4 -9.04 -0.32 0
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408034 135080789 1 SSiF2C10H18 ABC2D10E18 -128.63 2.08 -8.53 0.07 0