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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402857 135057577 1 OSC12H16 ABC12D16 -28.58 4.56 -9.29 -0.78 0
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402858 135057581 1 BrNO3C21H22 ABC3D21E22 -99.56 2.83 -8.88 -0.69 0
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402859 135057584 1 BrNSO4C14H18 ABCD4E14F18 -165.11 4.52 -10.25 -0.95 0
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402860 135057586 1 N2O3C23H24 A2B3C23D24 -86.35 3.82 -8.7 -0.82 0
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402861 135057589 1 SN2O4C29H30 AB2C4D29E30 -106.44 6.46 -8.46 -0.7 0
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402862 135057590 1 NOF3H12C16 ABC3D12E16 -141.75 6.8 -8.76 -0.68 0
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402863 135057593 1 NSO3H17C24 ABC3D17E24 -33.99 5.53 -8.6 -1.03 0
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402864 135057594 1 NS2O3H15C19 AB2C3D15E19 -58.15 6.03 -8.74 -1.13 0
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402865 135057596 2 NOH7C8 ABC7D8 -36.44 4.95 -9.83 -0.9 0
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402866 135057599 1 N2O2C15H18 A2B2C15D18 -30.31 3.73 -9.35 -0.77 0
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402867 135057601 1 ClNO2C12H16 ABC2D12E16 -80.34 1.57 -8.96 -0.73 0
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402868 135057602 1 NO2F3C13H16 AB2C3D13E16 -234.49 3.46 -9.11 -0.93 0
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402869 135057604 1 NO2H11C12 AB2C11D12 -13.33 6.34 -9.57 -0.6 0
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402870 135057605 1 SN2O2C13H18 AB2C2D13E18 -44.6 5.63 -9.62 -0.1 0
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402871 135057608 1 NSO4H17C21 ABC4D17E21 -94.34 5.84 -8.76 -0.74 0
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402872 135057611 1 NCl2O2H11C14 AB2C2D11E14 -49.05 2.5 -9.85 -1.21 0
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402873 135057614 1 BClNO3C15H21 ABCD3E15F21 -226.07 5.79 -9.02 -0.37 0
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402874 135057616 1 BBrNO3C15H21 ABCD3E15F21 -216.0 6.55 -8.87 -0.42 0
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402875 135057622 1 NO2H15C17 AB2C15D17 1.93 4.98 -8.83 -0.71 0
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402876 135057626 1 ON3H13C20 AB3C13D20 124.58 3.58 -9.33 -1.24 -1
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402877 135057629 1 BBrNO3C15H20 ABCD3E15F20 -180.61 0.84 0.0 0.0 0
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402878 135057630 1 ON2H14C20 AB2C14D20 82.82 2.91 -8.87 -0.86 0
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402879 135057649 1 ClFO3N4H12C21 ABC3D4E12F21 60.12 2.38 -9.52 -2.31 0
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402880 135057656 1 Cl2O2N7C26H27 A2B2C7D26E27 51.76 2.7 -8.42 -1.38 0
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402881 135057657 2 N2O2C11H12 A2B2C11D12 -77.98 7.65 -8.75 -0.4 0
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402882 135057668 1 SiO2C21H24 AB2C21D24 -49.57 2.33 -9.11 0.22 0
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402883 135057670 1 N2S2C27H44 A2B2C27D44 -27.39 1.66 -8.05 0.15 0
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402884 135057694 1 FNO3C13H14 ABC3D13E14 -142.2 2.4 -9.57 -0.78 0
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402885 135057695 1 NO3C17H23 AB3C17D23 -120.09 1.71 -9.26 -0.39 0
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402886 135057701 1 NO3C15H17 AB3C15D17 -110.25 2.66 -8.89 -0.42 0
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402887 135057702 1 NO3C16H19 AB3C16D19 -119.56 3.11 -8.72 -0.43 0
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402888 135057714 1 ON2H14C16 AB2C14D16 10.22 6.79 -9.13 -0.74 0
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402889 135057717 1 FN2O3H13C18 AB2C3D13E18 -94.26 4.06 -8.83 -1.37 0
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402890 135057720 1 SN2O6C12H22 AB2C6D12E22 -289.44 3.69 -10.12 -0.59 0
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402891 135057724 1 NSO3H17C21 ABC3D17E21 -62.93 5.8 -8.72 -0.81 0
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402893 135057733 1 NO2H13C15 AB2C13D15 -7.02 3.09 -8.64 -0.79 0
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402894 135057734 1 N2O3C13H18 A2B3C13D18 -140.5 4.26 -8.69 0.06 0
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402895 135057735 1 N2O3C18H20 A2B3C18D20 -104.14 3.92 -8.74 -0.51 0
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402896 135057736 1 N2O3F7H15C19 A2B3C7D15E19 -401.52 9.71 -9.07 -1.5 0
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402897 135057739 1 NO4C21H23 AB4C21D23 -101.63 1.82 -8.83 -0.95 0
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402898 135057741 1 NSO3C10H19 ABC3D10E19 -143.38 6.24 -9.74 -0.14 0
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402899 135057742 1 N2C13H16 A2B13C16 35.23 2.97 -9.82 -0.3 0
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402900 135057743 1 NO3C15H19 AB3C15D19 -94.51 2.3 -9.51 -0.88 0
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402901 135057745 1 SiO2C11H18 AB2C11D18 -108.12 1.42 -8.62 0.12 0
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402902 135057764 1 OCl2N3H9C15 AB2C3D9E15 64.72 3.13 -9.53 -1.15 0
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402903 135057769 2 ON2C10H10 AB2C10D10 56.61 6.16 -9.28 -1.52 0
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402904 135057770 1 ClN2O2C11H11 AB2C2D11E11 -55.31 2.31 -8.95 -0.89 0
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402905 135057797 1 NO3S3Cl6H15C23 AB3C3D6E15F23 -34.94 2.32 -9.2 -1.59 0
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402906 135057805 1 O4C15H18 A4B15C18 -157.42 2.72 -8.6 -0.24 0
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402907 135057826 1 NO3H23C29 AB3C23D29 -9.25 5.54 -8.53 -0.43 0
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402908 135057827 1 BrNC15H18 ABC15D18 16.82 2.6 -9.01 -0.88 0
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402909 135057828 1 FOH13C19 ABC13D19 -12.47 2.63 -8.67 -0.79 0
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402910 135057832 1 O2H16C19 A2B16C19 -12.6 1.52 -8.65 -0.06 0
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402911 135057833 1 NCl2H17C27 AB2C17D27 121.72 2.68 -8.95 -1.41 0
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402912 135057834 2 OC8H9 AB8C9 -54.68 0.59 -8.66 0.24 0
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402913 135057835 1 BrSN3O6C24H30 ABC3D6E24F30 -161.65 7.22 -9.64 -1.82 0
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402914 135057836 1 NOBr2H9C10 ABC2D9E10 10.39 2.58 -9.68 -1.04 0
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402915 135057837 2 OC9H9 AB9C9 -38.3 4.49 -9.34 -0.21 0
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402916 135057843 1 NO2C15H19 AB2C15D19 -72.65 5.22 -8.68 -0.27 0
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402917 135057857 1 NO5C22H23 AB5C22D23 -145.2 1.3 -9.68 -1.18 0
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402918 135057873 1 SiN2C13H15 AB2C13D15 68.13 6.86 0.0 0.0 0
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402919 135057880 1 N3O3H21C22 A3B3C21D22 11.33 4.39 -9.35 -0.86 0
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402920 135057883 1 FN3H18C19 AB3C18D19 54.9 5.19 -8.92 -0.28 0
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402921 135057884 1 N2O4H10C13 A2B4C10D13 -6.74 6.86 -10.37 -2.04 0
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402922 135057886 1 NO4C10H17 AB4C10D17 -156.39 3.49 -9.7 0.59 0
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402923 135057887 1 IPO10C59H60 ABC10D59E60 -260.57 5.48 -9.15 -0.73 0
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402924 135057891 1 N3C12H13 A3B12C13 88.69 4.44 -9.29 -0.23 -2
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402925 135057894 1 P2C5O8H10 A2B5C8D10 -288.72 4.16 -10.26 -3.67 0
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402926 135057896 1 NO6C14H19 AB6C14D19 -243.51 2.56 -9.73 -0.55 -2
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402927 135057897 1 NPO9C14H18 ABC9D14E18 -324.36 2.19 -9.64 -1.94 0
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402928 135057898 1 NPO9C14H20 ABC9D14E20 -435.4 4.6 -9.59 -0.28 0
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402929 135057900 1 O3C9H16 A3B9C16 -156.25 1.43 -10.37 0.41 0
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402930 135057905 1 NO16C21H29 AB16C21D29 -605.02 3.69 -10.11 -1.38 0
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402931 135057907 1 N2O16C23H32 A2B16C23D32 -604.71 5.59 -10.15 -1.35 -1
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402932 135057910 1 N2O17C23H31 A2B17C23D31 -629.03 9.29 0.0 0.0 0
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402933 135057912 1 SP3N7O18C25H40 AB3C7D18E25F40 -947.07 2.24 -9.51 -1.04 0
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402934 135057917 1 SiO2C18H28 AB2C18D28 -117.83 1.7 -9.3 0.26 0
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402935 135057924 1 NOSH13C16 ABCD13E16 51.87 10.61 -9.32 -0.81 0
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402936 135057932 1 NSiF3C24H24 ABC3D24E24 -114.03 3.19 -9.12 -0.42 0
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402937 135057948 1 SN2O5H12C14 AB2C5D12E14 -86.58 7.39 -8.89 -1.09 0
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402938 135057949 1 NSiC15H19 ABC15D19 11.22 1.73 -9.1 -0.12 0
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402939 135057959 2 NO2C10H14 AB2C10D14 -107.77 5.1 -9.06 -1.31 0
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402940 135057964 1 ON3H15C16 AB3C15D16 49.64 3.72 -8.75 -1.05 0
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402941 135057978 1 BrClNOH13C16 ABCDE13F16 15.9 2.12 -8.99 -0.86 0
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402942 135057980 1 BrNSO2C25H42 ABCD2E25F42 -147.74 3.26 -8.9 -0.09 0
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402943 135057983 1 N3O4C26H29 A3B4C26D29 -108.48 2.87 -8.82 -0.86 0
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402944 135057987 1 OC15H20 AB15C20 -27.97 1.53 -8.57 0.33 0
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402945 135057989 1 INOH6F8C15 ABCD6E8F15 -359.11 7.22 -9.93 -1.59 0
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402946 135057991 1 ClNO2C13H14 ABC2D13E14 -74.22 4.58 -9.08 -0.72 0
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402947 135057996 1 NB2O6C24H39 AB2C6D24E39 -423.91 5.05 -8.41 -0.11 0
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402948 135058001 1 N2O3F7H15C20 A2B3C7D15E20 -402.7 5.81 -9.09 -1.69 0
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402949 135058002 1 BN2O3C16H25 AB2C3D16E25 -163.64 6.16 -7.86 0.1 0
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402950 135058007 1 NSO2F3C12H12 ABC2D3E12F12 -195.75 4.17 -9.41 -1.1 0
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402951 135058016 1 NSF3O5H14C16 ABC3D5E14F16 -296.33 4.34 -9.25 -0.93 0
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402952 135058023 1 SiN2C15H26 AB2C15D26 19.78 4.85 -8.78 0.14 0
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402953 135058034 1 INOCl4H10C12 ABCD4E10F12 -15.93 3.5 -9.68 -1.26 0
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402954 135058039 1 O3N6H22C23 A3B6C22D23 31.4 2.27 -9.14 -1.49 1
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402955 135058047 1 ClNO2C5H11 ABC2D5E11 -92.52 4.97 0.0 0.0 0
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402956 135058048 1 BrNSO11C14H20 ABCD11E14F20 -473.9 4.65 -10.76 -1.04 0
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402957 135058050 1 IC13H21 AB13C21 8.86 2.75 -9.17 -0.89 0