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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193844 78446555 1 NO6C23H29 AB6C23D29 -216.04 6.23 -8.26 -0.73 1
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193845 78447648 1 SN4O4C20H21 AB4C4D20E21 -67.41 5.2 0.0 0.0 1
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193846 78447649 1 SO4N5C17H22 AB4C5D17E22 -103.21 3.69 0.0 0.0 1
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193847 78447803 1 FN3O3C20H21 AB3C3D20E21 -93.91 5.51 0.0 0.0 0
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193848 78447862 2 N2O3C5H6 A2B3C5D6 -80.75 5.78 -10.53 -2.23 0
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193849 78447863 1 BrNO4C20H20 ABC4D20E20 -119.83 8.64 -8.83 -0.96 0
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193850 78447864 1 O4N7C27H35 A4B7C27D35 -139.92 3.08 -8.6 -0.32 1
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193851 78448217 1 N2O3C20H31 A2B3C20D31 -111.87 8.18 0.0 0.0 0
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193852 78448243 1 OSN4C24H34 ABC4D24E34 12.81 5.26 -8.3 -1.9 0
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193853 78448500 1 SO2N4H8C11 AB2C4D8E11 61.19 5.73 -9.49 -2.78 0
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193854 78448501 1 ON4C22H24 AB4C22D24 63.77 6.89 -8.99 -0.67 2
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193855 78448502 1 ON5C9H13 AB5C9D13 22.77 7.81 -8.03 -0.81 1
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193856 78448503 1 O2N6C20H29 A2B6C20D29 -2.36 5.95 0.0 0.0 1
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193857 78448504 1 ON2C18H27 AB2C18D27 -31.74 2.88 0.0 0.0 -1
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193858 78448505 1 S2N3O4H14C17 A2B3C4D14E17 -42.19 6.77 0.0 0.0 1
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193859 78448752 1 N2O5C22H29 A2B5C22D29 -134.43 5.75 0.0 0.0 1
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193860 78448753 1 ON3C25H26 AB3C25D26 70.17 3.19 0.0 0.0 1
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193861 78448754 1 F3N3O4C19H21 A3B3C4D19E21 -258.16 8.17 0.0 0.0 0
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193862 78448755 1 N3O4C17H19 A3B4C17D19 -104.35 11.98 -8.81 -1.3 0
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193863 78448756 1 N3O4C18H21 A3B4C18D21 -114.38 6.98 -8.16 -1.53 0
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193864 78448757 1 N3O4H21C22 A3B4C21D22 -79.17 12.15 -8.57 -1.4 -1
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193865 78448913 1 N2O7C19H23 A2B7C19D23 -264.29 3.11 0.0 0.0 0
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193866 78449751 2 NO3C11H12 AB3C11D12 -230.75 3.48 -9.19 -0.67 0
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193867 78449752 1 N2O5C21H24 A2B5C21D24 -182.53 4.67 -8.29 -0.21 0
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193868 78449753 1 N3O4H19C20 A3B4C19D20 -108.34 10.79 -9.09 -0.6 0
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193869 78449754 1 FN2O4C19H19 AB2C4D19E19 -180.68 2.26 -9.2 -0.5 0
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193870 78449755 1 ClN2O5C20H21 AB2C5D20E21 -183.92 4.33 -8.78 -0.53 0
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193871 78449756 1 N2O4C19H26 A2B4C19D26 -183.41 3.61 -9.81 -0.13 0
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193872 78449757 1 N3O6C19H19 A3B6C19D19 -139.54 7.25 -9.64 -1.4 -1
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193873 78449996 1 N6O7C24H27 A6B7C24D27 -211.98 2.87 0.0 0.0 -1
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193874 78450107 1 NO4C22H30 AB4C22D30 -146.29 4.88 0.0 0.0 0
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193875 78450108 1 NO4C22H31 AB4C22D31 -202.73 7.01 -9.11 -0.08 -1
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193876 78450109 1 NO4C24H28 AB4C24D28 -114.46 2.88 0.0 0.0 0
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193877 78450399 1 SO2N3C20H21 AB2C3D20E21 1.86 5.24 -8.42 -1.67 0
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193878 78450501 1 FOSN3C21H22 ABCD3E21F22 -10.47 10.13 -8.44 -1.65 0
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193879 78450502 1 OSN3C22H25 ABC3D22E25 28.18 6.98 -8.6 -1.55 0
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193880 78450503 1 OSN3C21H23 ABC3D21E23 27.81 6.64 -8.36 -1.64 0
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193881 78450504 1 OSN3C21H23 ABC3D21E23 21.68 7.6 -8.44 -0.56 0
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193882 78450505 1 OSN3C21H23 ABC3D21E23 22.36 7.67 -8.43 -0.52 0
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193883 78450592 1 ClSO2N3C19H26 ABC2D3E19F26 -88.48 8.05 -8.55 -0.32 0
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193884 78450898 1 FN3O5H16C19 AB3C5D16E19 -202.96 4.67 -9.63 -0.99 0
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193885 78450968 1 FN3O5H18C19 AB3C5D18E19 -189.3 1.49 -8.39 -0.46 0
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193886 78450969 1 N3O6C20H21 A3B6C20D21 -189.17 2.37 -8.44 -0.43 0
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193887 78450970 1 N3O6C20H21 A3B6C20D21 -184.33 3.15 -8.34 -0.34 0
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193888 78450971 1 F2N3O5H17C19 A2B3C5D17E19 -234.86 1.67 -8.56 -0.62 0
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193889 78450972 1 ClN3O5H18C19 AB3C5D18E19 -153.0 1.62 -8.39 -0.5 0
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193890 78450973 1 FN3O5H18C19 AB3C5D18E19 -194.99 3.4 -8.5 -0.52 -1
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193891 78451427 1 ClNO6C23H25 ABC6D23E25 -204.06 2.56 0.0 0.0 1
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193892 78451593 1 F3N6C18H26 A3B6C18D26 -77.7 4.87 0.0 0.0 1
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193893 78451775 1 FO2N4C24H30 AB2C4D24E30 -58.07 13.11 0.0 0.0 1