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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173838 75690384 1 O3N4C22H22 A3B4C22D22 -39.55 4.58 -8.89 -0.46 0
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173839 75690385 1 SN3O3C17H23 AB3C3D17E23 -97.92 1.93 -8.56 -0.63 1
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173840 75690386 1 SN2O2C17H27 AB2C2D17E27 -60.21 3.43 0.0 0.0 0
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173841 75690387 1 SN2O2C17H26 AB2C2D17E26 -70.18 3.28 -8.65 0.25 1
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173842 75690388 1 FOSN2C16H24 ABCD2E16F24 -66.22 2.21 0.0 0.0 0
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173843 75690389 1 FOSN2C16H23 ABCD2E16F23 -77.77 1.74 -8.72 -0.07 0
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173844 75690390 1 OSN3C14H21 ABC3D14E21 -18.42 3.21 -8.85 -0.17 0
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173845 75690404 1 SN2O2C13H26 AB2C2D13E26 -117.58 3.76 -8.74 0.17 0
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173846 75690405 1 ON3C20H23 AB3C20D23 7.95 6.18 -8.23 -0.5 0
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173847 75690406 1 SN2O2C15H30 AB2C2D15E30 -116.23 2.04 -8.83 0.32 1
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173848 75690407 1 OSN2C15H23 ABC2D15E23 -14.75 3.09 0.0 0.0 0
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173849 75690408 1 N2O2C19H22 A2B2C19D22 -48.47 4.39 -9.26 -0.3 0
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173850 75690409 1 ON2H18C19 AB2C18D19 19.52 4.88 -8.78 -0.29 0
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173851 75690410 1 SO2N3C17H27 AB2C3D17E27 -101.03 4.31 -8.51 0.09 0
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173852 75690827 1 O2N3C18H25 A2B3C18D25 -47.42 4.29 -8.95 0.25 0
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173853 75691160 1 ClO3N4C20H25 AB3C4D20E25 -123.83 7.71 -8.95 -0.24 0
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173854 75691303 1 BrSN2O3C15H15 ABC2D3E15F15 -76.73 2.53 -9.61 -1.23 0
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173855 75691304 1 FSN2O3H13C14 ABC2D3E13F14 -128.49 5.57 -9.23 -1.66 0
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173856 75691305 1 SN2O4C16H18 AB2C4D16E18 -127.25 4.17 -8.54 -1.46 0
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173857 75691306 1 SN2O3C11H14 AB2C3D11E14 -88.9 4.3 -9.76 -1.49 0
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173858 75691307 1 SN2O4C16H16 AB2C4D16E16 -120.89 1.11 -9.21 -1.51 0
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173859 75691308 1 SN2O3C12H18 AB2C3D12E18 -124.86 2.72 -9.78 -1.45 0
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173860 75691309 1 SN2O3C14H20 AB2C3D14E20 -123.41 3.79 -9.52 -1.13 0
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173861 75691310 1 SN2O3C19H22 AB2C3D19E22 -98.76 5.06 -9.13 -1.12 0
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173862 75691311 1 N2S2O3C13H14 A2B2C3D13E14 -76.97 3.92 -9.35 -1.45 0
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173863 75691312 1 O2N5C19H25 A2B5C19D25 -32.54 3.54 -8.75 -0.24 0
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173864 75691313 1 N3O3C24H31 A3B3C24D31 -96.75 8.05 -8.94 0.11 0
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173865 75691314 2 NO2C9H14 AB2C9D14 -166.01 1.52 -8.84 0.19 1
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173866 75691315 1 ON5C18H20 AB5C18D20 57.28 4.21 0.0 0.0 0
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173867 75691367 1 ON4C19H32 AB4C19D32 -43.95 3.96 -8.4 0.32 1
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173868 75691368 1 O2N4C20H29 A2B4C20D29 -14.09 0.62 0.0 0.0 0
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173869 75691369 2 ON2C10H14 AB2C10D14 -35.48 3.31 -8.49 0.28 1
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173870 75691815 1 ClFOSN3C15H18 ABCDE3F15G18 -37.44 2.27 0.0 0.0 1
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173871 75692161 1 NSC12H22 ABC12D22 -8.21 4.61 0.0 0.0 0
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173872 75692171 1 N3O3H5C9 A3B3C5D9 -36.72 4.01 -10.36 -2.05 0
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173873 75692172 1 N2O3C21H26 A2B3C21D26 -120.94 4.26 -8.91 -0.14 0
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173874 75692173 1 N2F3O3C15H19 A2B3C3D15E19 -302.58 8.56 -9.28 -0.59 0
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173875 75692174 1 N2O3C18H26 A2B3C18D26 -157.67 6.07 -8.64 0.24 0
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173876 75692175 1 N2F3O4C15H19 A2B3C4D15E19 -342.55 5.57 -9.33 -0.75 0
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173877 75692176 1 N2O3C17H26 A2B3C17D26 -162.14 3.66 -8.5 0.07 0
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173878 75692532 1 SN3O4C21H23 AB3C4D21E23 -82.79 5.65 -9.05 -0.97 0
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173879 75692533 1 SO3N4C20H22 AB3C4D20E22 -58.97 6.9 -9.35 -1.15 0
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173880 75692931 1 F2N2O2H12C17 A2B2C2D12E17 -76.38 5.49 -8.77 -1.37 0
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173881 75692986 1 ClOSN4H7C12 ABCD4E7F12 75.54 5.11 -9.57 -1.45 0
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173882 75693054 1 ClN2O4H19C20 AB2C4D19E20 -55.49 9.87 -8.75 -1.9 0
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173883 75693253 1 NOSH11C15 ABCD11E15 61.17 3.19 -9.47 -1.16 0
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173884 75693254 1 BrNSO3H14C17 ABCD3E14F17 -6.08 6.7 -8.79 -1.26 1
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173885 75693770 1 O4N5C19H20 A4B5C19D20 -34.46 7.54 0.0 0.0 1
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173886 75693771 1 O3N6C20H21 A3B6C20D21 4.08 8.04 0.0 0.0 1
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173887 75693772 1 O4N5C22H24 A4B5C22D24 -49.45 7.34 0.0 0.0 1