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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225890 87235934 1 SN3O4C20H27 AB3C4D20E27 -165.6 1.81 -8.74 -0.78 0
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225891 87235935 1 FO2N4C22H23 AB2C4D22E23 -17.17 7.09 -9.25 -0.59 0
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225892 87235940 1 SO5N6C24H24 AB5C6D24E24 -76.52 6.25 -8.81 -1.39 0
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225893 87235943 2 FON2C9H15 ABC2D9E15 -85.27 4.82 -10.09 -0.67 0
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225894 87235944 1 F2N4H18C21 A2B4C18D21 23.93 6.38 -9.89 -0.81 0
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225895 87235946 1 PSF3C6O6H12 ABC3D6E6F12 -472.35 3.05 -11.12 -1.62 0
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225896 87235949 1 SO4N5H23C24 AB4C5D23E24 -82.31 4.44 -8.24 -1.09 1
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225897 87235961 1 BrPO3C5H13 ABC3D5E13 -166.42 2.97 0.0 0.0 0
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225898 87235973 1 S3N5O6C21H25 A3B5C6D21E25 -162.75 2.6 -8.85 -1.22 0
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225899 87235974 1 S3N5O6C21H23 A3B5C6D21E23 -160.39 6.38 -9.07 -1.55 0
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225900 87235989 1 NPC7O7H16 ABC7D7E16 -373.5 3.65 -9.98 -1.58 0
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225901 87236006 1 ClN5H6F8C14 AB5C6D8E14 -285.8 3.89 -9.6 -2.06 0
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225902 87246405 1 NPBr2O7C22H24 ABC2D7E22F24 -264.86 7.28 -8.66 -0.99 0
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225903 87246406 1 NPBr2O7H22C24 ABC2D7E22F24 -232.0 9.34 -9.03 -0.98 0
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225904 87246407 1 LiN3C10H25 AB3C10D25 9.69 3.53 0.0 0.0 0
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225905 87246408 1 NO2Si3C14H37 AB2C3D14E37 -182.79 3.87 -7.25 0.19 0
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225906 87246409 1 NO2Si3C14H37 AB2C3D14E37 -250.05 2.58 -8.4 1.4 0
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225907 87246410 1 NO2Si3C14H37 AB2C3D14E37 -245.59 3.24 -8.15 1.36 0
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225908 87246411 2 NC2O4H5 AB2C4D5 -168.84 2.1 -10.75 -1.4 0
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225909 87246412 1 NPBr2O7H22C24 ABC2D7E22F24 -227.16 5.75 -8.97 -0.96 0
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225910 87246413 1 NSiO3C13H25 ABC3D13E25 -103.18 4.69 -8.21 0.02 0
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225911 87246414 1 NPO6C24H32 ABC6D24E32 -270.55 5.3 -9.14 -0.86 0
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225912 87246415 2 F3N3O3H14C16 A3B3C3D14E16 -459.22 9.99 -9.39 -1.12 0
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225913 87246417 1 PO4C32H33 AB4C32D33 -95.65 2.69 -9.11 -0.79 0
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225914 87246418 1 ON2C12H24 AB2C12D24 -42.26 3.61 -8.88 0.78 0
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225915 87246419 1 ON2C12H24 AB2C12D24 -44.79 4.99 -8.97 0.64 0
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225916 87246420 1 Cl2N2O4H10C13 A2B2C4D10E13 -112.61 6.37 -9.32 -1.25 0
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225917 87246421 1 FN9O9H54C64 AB9C9D54E64 -24.24 18.91 -7.62 -2.87 0
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225918 87246422 1 FN9O9H54C64 AB9C9D54E64 -9.47 16.35 -7.76 -2.94 0
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225919 87246423 1 LiN3C11H28 AB3C11D28 -38.94 4.34 -7.08 3.39 0
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225920 87246424 1 N2C11H26 A2B11C26 -46.45 1.94 -8.8 3.06 0
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225921 87246425 1 LiN3C11H26 AB3C11D26 87.78 44.5 -1.97 -0.79 0
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225922 87246426 1 LiN3C12H30 AB3C12D30 -39.71 4.82 -7.04 3.27 0
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225923 87246427 2 NC6H14 AB6C14 -51.35 2.93 -8.88 2.97 0
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225924 87246428 1 LiN3C12H28 AB3C12D28 -23.72 4.8 -6.42 3.16 0
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225925 87246429 1 N3C12H29 A3B12C29 -39.44 3.3 -8.94 2.91 0
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225926 87246430 1 LiN3C9H24 AB3C9D24 -26.42 4.0 -7.11 3.37 0
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225927 87246431 2 ClNO2H6C7 ABC2D6E7 -129.01 7.63 -9.67 -1.35 0
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225928 87246432 1 LiN3C9H22 AB3C9D22 -19.09 4.05 -5.66 2.77 0
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225929 87246433 1 LiN3C12H30 AB3C12D30 -41.15 6.47 -7.14 3.37 0
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225930 87246434 2 NC6H14 AB6C14 -51.43 2.92 -8.86 2.99 0
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225931 87246435 1 LiN3C12H28 AB3C12D28 82.83 15.54 -3.46 -0.6 0
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225932 87246437 1 Cl2N4F5H13C26 A2B4C5D13E26 -24.7 7.77 -8.49 -1.87 0
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225934 87246439 1 ClN3O6H26C31 AB3C6D26E31 -109.81 2.87 -9.0 -1.47 0
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225935 87246442 1 ClOF3C6H10 ABC3D6E10 -210.52 2.3 -10.98 0.24 0
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225936 87246444 1 LiN3C10H24 AB3C10D24 95.66 25.1 -2.59 -0.81 0
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225937 87246445 1 NSiO3C12H27 ABC3D12E27 -239.27 2.84 -9.33 0.99 0
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225938 87246446 1 N2O3F6H16C21 A2B3C6D16E21 -407.11 4.64 -8.47 -1.26 0
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225939 87246448 1 Cl2Si2C7H18 A2B2C7D18 -153.11 2.99 -9.27 0.49 0
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225940 87246452 1 NSiO3C11H25 ABC3D11E25 -237.6 4.42 -8.71 0.88 0