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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392708 135017710 1 NOSH9C12 ABCD9E12 39.99 1.04 -9.06 -0.54 0
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392709 135017712 1 IH27C28 AB27C28 68.18 2.38 -8.73 -0.79 0
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392710 135017714 1 IH25C28 AB25C28 78.81 2.34 -8.7 -0.8 0
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392711 135017716 1 NF3O3C19H20 AB3C3D19E20 -205.13 3.9 -8.44 -0.62 0
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392712 135017717 1 NF3O3C18H18 AB3C3D18E18 -196.53 5.82 -8.65 -0.73 0
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392713 135017718 1 N2F3O4H17C18 A2B3C4D17E18 -169.0 6.31 -9.46 -1.75 0
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392714 135017726 1 Si2O3C30H44 A2B3C30D44 -167.66 4.02 -9.04 -0.23 0
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392715 135017728 2 NO2C7H8 AB2C7D8 -80.06 4.22 -9.9 -1.5 0
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392716 135017729 1 N2O3H18C21 A2B3C18D21 -31.36 6.27 -8.43 -1.46 0
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392718 135017732 1 SiO4C34H46 AB4C34D46 -238.49 5.34 -8.82 0.08 0
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392719 135017736 1 N3C8H17 A3B8C17 -2.49 3.02 -8.6 2.82 -1
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392720 135017738 1 BNO3C11H15 ABC3D11E15 -127.25 4.82 0.0 0.0 0
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392721 135017741 1 Si2O7C26H54 A2B7C26D54 -472.91 3.58 -9.04 0.51 0
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392722 135017743 1 NSi2O7C29H61 AB2C7D29E61 -499.54 2.45 -8.85 0.66 0
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392723 135017745 1 O11C25H28 A11B25C28 -406.13 5.15 -9.34 -0.83 0
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392724 135017746 1 SN2O4H24C27 AB2C4D24E27 -58.78 6.93 -8.76 -0.79 0
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392725 135017748 1 SN2O4H22C26 AB2C4D22E26 -68.39 6.11 -8.68 -0.82 0
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392726 135017753 1 NSO5C21H21 ABC5D21E21 -151.41 6.38 -8.89 -0.9 0
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392727 135017758 1 NO4C18H31 AB4C18D31 -211.77 0.48 -10.1 0.15 0
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392728 135017759 1 NO4C17H29 AB4C17D29 -204.08 3.61 -10.08 0.25 0
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392729 135017760 1 N2O7H16C21 A2B7C16D21 -115.47 6.95 -8.85 -1.26 0
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392730 135017761 1 SN2O9H24C28 AB2C9D24E28 -196.23 7.9 -8.61 -0.93 0
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392731 135017762 1 NSO7H21C26 ABC7D21E26 -177.41 6.2 -8.49 -0.8 0
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392732 135017793 1 ClO2C27H27 AB2C27D27 -35.27 1.85 -8.68 -0.42 0
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392733 135017801 1 BrNO2C20H24 ABC2D20E24 -54.51 1.56 -8.94 -0.07 0
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392734 135017802 1 NO4C21H25 AB4C21D25 -118.87 3.53 -8.25 0.13 0
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392735 135017803 1 NO5C22H27 AB5C22D27 -156.33 2.23 -8.66 0.21 0
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392736 135017812 2 NO2C11H14 AB2C11D14 -149.23 4.98 -8.62 -0.12 0
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392737 135017815 1 NO11C19H29 AB11C19D29 -523.93 4.45 -10.51 0.05 -1
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392738 135017822 1 BN2O4C17H22 AB2C4D17E22 -177.03 2.03 0.0 0.0 0
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392739 135017825 1 NO10C18H27 AB10C18D27 -477.14 1.45 -9.85 0.38 0
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392740 135017829 1 NO3C6H7 AB3C6D7 -107.99 4.14 -10.43 -0.02 0
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392741 135017830 1 SiN2O9C36H40 AB2C9D36E40 -155.57 5.45 -8.93 -2.02 1
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392742 135017831 1 SiN2O9C36H41 AB2C9D36E41 -167.5 8.2 0.0 0.0 0
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392743 135017832 1 MnO6C15F18H18 AB6C15D18E18 -1204.45 5.6 0.0 0.0 0
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392744 135017834 1 O2C5F6H6 A2B5C6D6 -419.31 3.3 -11.72 0.76 0
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392746 135017836 2 N2O9H32C33 A2B9C32D33 -369.28 41.82 -5.52 -3.92 0
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392747 135017837 1 N4O13H24C38 A4B13C24D38 -212.77 5.62 -8.33 -2.54 0
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392748 135017839 1 N4O13H24C38 A4B13C24D38 -271.96 3.75 -8.75 -2.29 2
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392749 135017840 1 N4O13H26C38 A4B13C26D38 -165.78 8.23 -7.92 -2.92 0
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392750 135017841 2 N2O7H13C19 A2B7C13D19 -315.88 9.9 -8.55 -2.56 2
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392751 135017842 2 N2O7H14C19 A2B7C14D19 -280.11 36.31 -6.54 -4.58 0
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392752 135017843 2 N2O7H13C19 A2B7C13D19 -286.47 13.0 -6.8 -2.91 0
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392753 135017845 1 O2N3H19C21 A2B3C19D21 13.25 10.48 -9.26 -0.74 0
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392754 135017847 1 O5C16H18 A5B16C18 -174.05 5.06 -8.74 -0.09 0
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392755 135017853 1 IO4H19C20 AB4C19D20 -97.14 1.3 -9.51 -1.05 0
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392756 135017860 1 ON3H17C20 AB3C17D20 88.42 2.44 -9.31 -0.59 0
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392757 135017861 1 SnO2C13H18 AB2C13D18 -45.61 3.38 -9.35 -0.44 0
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392758 135017862 1 NOSH21C22 ABCD21E22 60.37 2.31 -8.23 0.0 0
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392759 135017865 1 O6N15C21H37 A6B15C21D37 -137.3 3.19 -9.58 -0.4 0
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392760 135017872 1 Cl2N3O3H23C24 A2B3C3D23E24 10.49 4.57 -9.11 -0.93 0
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392761 135017874 1 Cl2N3O3C20H21 A2B3C3D20E21 -12.71 11.63 -9.01 -1.02 0
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392762 135017878 1 ClNOH18C27 ABCD18E27 94.42 6.71 -8.67 -1.31 0
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392763 135017884 1 BrO4C8H15 AB4C8D15 -201.74 1.62 -10.23 -0.5 0
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392764 135017890 1 NSO5C24H25 ABC5D24E25 -109.9 5.16 -8.51 -0.65 0
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392765 135017895 2 O2C9H13 A2B9C13 -167.09 2.58 -8.35 -0.06 0
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392766 135017898 3 NH3C4 AB3C4 118.1 6.01 -9.28 -1.04 0
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392767 135017899 1 O5H12C16 A5B12C16 -133.27 6.5 -8.88 -1.45 0
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392768 135017900 1 NO3C25H31 AB3C25D31 -82.99 3.71 -9.06 -0.48 0
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392769 135017901 2 IC10H14 AB10C14 196.67 1.02 -8.43 -0.32 0
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392770 135017902 1 BrClC7H8 ABC7D8 37.34 2.21 -9.47 -0.5 0
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392771 135017903 1 NSO2F3H12C15 ABC2D3E12F15 -179.47 4.22 -8.8 -1.4 0
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392772 135017904 2 C7H12 A7B12 -37.53 0.21 -10.03 3.44 0
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392773 135017906 1 NO6C14H17 AB6C14D17 -187.81 4.38 -10.0 -0.03 0
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392774 135017907 1 O6H26C27 A6B26C27 -161.59 3.49 -9.49 -0.26 0
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392775 135017909 1 O5C28H28 A5B28C28 -109.0 1.12 -9.51 -0.05 0
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392776 135017914 1 O5C28H28 A5B28C28 -112.51 2.08 -9.5 -0.09 0
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392777 135017921 1 N2O6C17H26 A2B6C17D26 -255.9 4.1 -10.01 -1.14 0
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392778 135017936 1 SN2O6H16C18 AB2C6D16E18 -89.5 3.44 -8.65 -2.19 0
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392779 135017939 1 NSO4C20H21 ABC4D20E21 -115.5 4.24 -8.22 -0.66 0
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392780 135017941 1 N2O3C21H22 A2B3C21D22 -94.54 2.88 -8.69 -0.64 0
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392781 135017944 1 ON2H14C16 AB2C14D16 11.16 2.75 -8.68 -0.64 0
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392782 135017945 1 N2O5C22H26 A2B5C22D26 -191.36 2.85 -9.16 -0.33 0
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392783 135017947 2 NO2C11H13 AB2C11D13 -155.66 2.18 -8.67 -0.54 0
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392784 135017968 1 Si2O4C33H64 A2B4C33D64 -349.48 2.87 -8.73 -0.39 0
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392785 135017969 1 NSO3C19H19 ABC3D19E19 -33.62 7.16 -8.69 -0.45 0
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392787 135017977 1 SN2O2C20H20 AB2C2D20E20 -8.19 4.87 -8.67 -0.23 0
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392788 135017980 1 NOC15H19 ABC15D19 6.72 4.95 -8.73 -0.12 0
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392789 135017982 1 O3H12C17 A3B12C17 -42.58 5.8 -9.12 -1.86 0
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392790 135017985 1 O7C21H26 A7B21C26 -277.72 5.15 -9.52 -1.04 0
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392791 135017986 1 O5H16C17 A5B16C17 -158.19 3.84 -9.02 -0.9 0
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392792 135017987 1 ON3C17H17 AB3C17D17 42.55 2.58 -7.92 -0.54 0
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392793 135017988 2 N2H15C16 A2B15C16 157.97 2.71 -7.43 -0.17 0
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392794 135017989 1 SN2C17H18 AB2C17D18 65.78 1.18 -7.54 -0.42 0
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392795 135017990 1 ON3H19C21 AB3C19D21 62.48 1.7 -7.58 -1.03 0
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392796 135017991 1 O3N4C11H16 A3B4C11D16 -113.15 3.37 -9.81 -0.8 0
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392797 135017993 1 NSeO6C14H27 ABC6D14E27 -255.07 2.37 -8.44 0.05 0
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392798 135017994 1 SSeO5C15H22 ABC5D15E22 -206.02 3.18 -8.61 -1.01 1
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392799 135017995 1 N3C22H22 A3B22C22 109.19 1.75 0.0 0.0 0
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392800 135017996 1 SiN5O5C19H31 AB5C5D19E31 -238.96 5.61 -8.82 -0.71 0
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392801 135017997 2 OC6H10 AB6C10 -109.54 2.06 -9.9 0.73 0
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392802 135018008 1 N2C15H16 A2B15C16 66.21 1.67 -8.17 -0.27 0
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392803 135018010 1 N2H20C29 A2B20C29 113.56 1.7 -7.86 -0.76 0
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392804 135018012 1 FN2H17C28 AB2C17D28 75.36 3.52 -7.98 -0.9 0
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392805 135018014 1 ON2H20C29 AB2C20D29 82.55 1.76 -7.88 -0.79 0
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392806 135018016 1 NO8C41H47 AB8C41D47 -257.15 6.01 -9.38 -0.13 0
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392807 135018017 1 O7C37H40 A7B37C40 -206.78 4.86 -9.48 -0.1 0
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392808 135018022 2 O3C11H12 A3B11C12 -188.11 4.17 -8.5 -0.89 0
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392809 135018029 1 NO2C20H21 AB2C20D21 -40.27 2.87 -7.83 -0.33 0
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392810 135018030 1 BrSN3O4H22C25 ABC3D4E22F25 -91.39 5.18 -8.72 -0.97 0