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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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61751 26712497 1 SN3O4C25H27 AB3C4D25E27 -109.51 8.5 -8.96 -0.8 0
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61752 26712499 1 O3N4C21H22 A3B4C21D22 -66.66 3.32 -9.22 -1.15 0
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61753 26712501 1 FN2O2C20H21 AB2C2D20E21 -81.81 7.86 -9.01 -0.9 0
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61754 26712541 1 SN2O4C19H22 AB2C4D19E22 -129.44 7.52 -9.26 -1.15 0
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61755 26712545 1 ClSN2O4C19H21 ABC2D4E19F21 -134.92 7.98 -9.27 -1.38 0
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61756 26712550 1 SN3O5C23H31 AB3C5D23E31 -180.01 9.62 -9.12 -0.89 0
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61757 26712552 1 SN3O5C22H29 AB3C5D22E29 -181.27 4.96 -9.05 -0.91 0
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61758 26712569 1 SN3O4C21H27 AB3C4D21E27 -137.32 4.28 -9.26 -1.14 0
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61759 26712571 1 SN3O5C23H29 AB3C5D23E29 -152.38 4.45 -8.95 -0.99 0
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61760 26712595 1 SN3O4C16H17 AB3C4D16E17 -44.35 2.78 -9.41 -2.21 0
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61761 26712600 1 FN3O3C20H22 AB3C3D20E22 -136.15 4.03 -9.35 -0.68 0
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61762 26712601 1 ClN3O3C20H22 AB3C3D20E22 -98.69 5.94 -9.31 -0.76 0
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61763 26712603 1 F3N3O3C21H22 A3B3C3D21E22 -253.26 5.22 -9.11 -1.36 0
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61764 26712605 1 BrN3O3C20H22 AB3C3D20E22 -89.13 7.46 -9.06 -1.09 0
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61765 26712628 1 N2O3C22H26 A2B3C22D26 -100.88 5.44 -9.19 -0.78 0
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61766 26712668 1 BrSN2O2C16H17 ABC2D2E16F17 -32.85 5.85 -9.16 -1.32 0
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61767 26712700 1 N2O4C21H22 A2B4C21D22 -98.22 5.33 -9.04 -0.84 0
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61768 26712716 1 SN3O3C21H23 AB3C3D21E23 -94.71 6.02 -9.04 -1.13 0
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61769 26712730 1 SN3O5C25H27 AB3C5D25E27 -131.62 1.33 -8.9 -1.22 0
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61770 26712731 1 FSN3O4C25H26 ABC3D4E25F26 -155.13 2.26 -9.03 -1.12 0
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61771 26712734 1 N3O4C21H25 A3B4C21D25 -134.29 6.91 -8.82 -0.78 0
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61772 26712737 1 N3O3C21H25 A3B3C21D25 -97.64 5.25 -9.22 -0.35 0
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61773 26712763 1 BrN2O4C23H27 AB2C4D23E27 -124.42 8.8 -8.58 -1.0 0
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61774 26712786 1 BrN2O4H19C20 AB2C4D19E20 -105.57 8.47 -8.68 -1.03 0
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61775 26712794 1 Br2N3O4H13C16 A2B3C4D13E16 -38.12 4.31 -9.49 -1.54 0
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61776 26712808 1 BrSN3O4C20H22 ABC3D4E20F22 -113.22 7.95 -9.06 -1.18 0
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61777 26712809 1 BrN3O4C23H24 AB3C4D23E24 -88.56 4.85 -8.83 -0.29 0
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61778 26712863 1 BrN2O3C20H21 AB2C3D20E21 -77.15 3.26 -8.91 -0.63 0
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61779 26712885 1 BrClSN3O3H17C20 ABCD3E3F17G20 -70.56 2.76 -8.86 -1.17 0
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61780 26712891 1 BrN2O4C20H23 AB2C4D20E23 -130.86 7.27 -8.73 -0.44 0
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61781 26712906 1 BrN3O3C20H22 AB3C3D20E22 -104.17 9.29 -8.7 -0.34 0
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61782 26712907 1 BrN3O3C20H22 AB3C3D20E22 -101.94 5.13 -9.05 -0.25 0
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61783 26713060 1 SCl2N2O3H14C15 AB2C2D3E14F15 -90.68 1.25 -9.56 -1.24 0
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61784 26713062 1 ClN2O4H23C24 AB2C4D23E24 -106.97 5.33 -8.96 -0.47 0
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61785 26713087 1 ClN2O3C20H23 AB2C3D20E23 -114.36 7.12 -9.34 -0.47 0
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61786 26713088 1 ClN2O3C20H23 AB2C3D20E23 -111.24 1.9 -9.07 -0.45 0
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61787 26713097 1 ClN2O2C17H17 AB2C2D17E17 -63.36 7.19 -9.21 -0.48 0
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61788 26713117 1 ClNO2C17H18 ABC2D17E18 -60.33 5.04 -9.17 -0.24 0
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61789 26713121 1 ClNO4C20H22 ABC4D20E22 -112.13 5.91 -8.84 -0.57 0
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61790 26713142 1 ClSN2O4H21C22 ABC2D4E21F22 -97.93 3.67 -8.35 -1.15 0
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61791 26713147 1 ClSO3N6H15C17 ABC3D6E15F17 61.61 2.88 -9.43 -2.21 0
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61792 26713165 1 N2O2F3C24H25 A2B2C3D24E25 -197.54 11.3 -9.17 -0.51 0
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61793 26713178 1 F2N2O4H24C25 A2B2C4D24E25 -206.29 2.94 -9.17 -1.01 0
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61794 26713184 1 SN3O4H23C24 AB3C4D23E24 -23.58 5.62 -9.04 -1.55 0
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61795 26713189 1 ON3C23H25 AB3C23D25 31.69 4.03 -8.99 -0.15 0
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61796 26713192 1 FSN2O2H23C24 ABC2D2E23F24 -75.2 4.97 -8.97 -0.62 0
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61797 26713228 1 ClN2O2H21C23 AB2C2D21E23 -31.46 4.15 -9.04 -0.88 0
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61798 26713236 1 SN2O3H16C19 AB2C3D16E19 23.45 5.23 -9.19 -1.96 0
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61799 26713243 1 N2O3H20C21 A2B3C20D21 -51.97 3.76 -9.05 -0.74 0
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61800 26713244 1 N2O3H20C21 A2B3C20D21 -51.85 3.6 -9.06 -0.72 0
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61801 26713263 1 SN2O5C27H30 AB2C5D27E30 -146.78 3.61 -9.12 -0.69 0
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61802 26713275 1 SN2O4C27H28 AB2C4D27E28 -78.84 3.79 -9.23 -1.09 0
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61803 26713290 1 SN2O4C24H26 AB2C4D24E26 -103.4 8.79 -9.22 -0.54 0
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61804 26713297 1 ClO2N3C24H24 AB2C3D24E24 -41.71 3.62 -9.24 -0.36 0
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61805 26713300 1 Cl2N3O3H23C25 A2B3C3D23E25 -69.41 4.92 -9.02 -0.97 0
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61806 26713301 1 NO3H23C24 AB3C23D24 -59.92 4.56 -8.64 -0.27 0
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61807 26713302 1 NO3H23C24 AB3C23D24 -60.0 5.01 -8.71 -0.21 0
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61808 26713303 1 N2O2H22C23 A2B2C22D23 -30.07 6.12 -9.12 -0.38 0
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61809 26713304 1 N2O2H22C23 A2B2C22D23 -29.72 6.02 -9.12 -0.42 0
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61810 26713305 1 SN3O3C22H23 AB3C3D22E23 -12.58 4.97 -8.8 -0.81 0
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61811 26713307 1 SN2O4H20C23 AB2C4D20E23 -73.82 5.54 -9.13 -1.36 0
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61812 26713313 1 S2N3O3C25H29 A2B3C3D25E29 -70.26 2.42 -8.66 -0.81 0
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61813 26713315 1 OBr2N2S2H14C17 AB2C2D2E14F17 40.42 4.35 -9.27 -1.17 0
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61814 26713316 1 SN3O4C26H31 AB3C4D26E31 -63.14 4.05 -8.44 -0.66 0
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61815 26713326 1 SO2N4C25H28 AB2C4D25E28 -30.3 7.95 -8.55 -0.88 0
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61816 26713332 1 ON2S2C22H24 AB2C2D22E24 0.67 4.56 -8.76 -0.72 0
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61817 26713407 1 S2N3O4C24H27 A2B3C4D24E27 -102.46 4.52 -9.17 -0.75 0
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61818 26713411 1 SN3O3H21C27 AB3C3D21E27 -16.87 7.3 -9.14 -1.68 0
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61819 26713485 1 N3O5C23H27 A3B5C23D27 -80.35 3.68 -8.65 -0.74 0
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61820 26713486 1 SN2O5C18H18 AB2C5D18E18 -71.11 6.68 -8.81 -1.75 0
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61821 26713499 1 SF2N2O5H20C23 AB2C2D5E20F23 -204.55 4.19 -8.76 -1.29 0
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61822 26713500 1 SN2O5C22H26 AB2C5D22E26 -155.46 7.78 -8.75 -0.81 0
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61823 26713527 1 ClSN2O4C20H23 ABC2D4E20F23 -103.47 2.72 -9.04 -0.78 0
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61824 26713534 1 N2O2S3C19H22 A2B2C3D19E22 -30.59 1.77 -9.07 -0.81 0
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61825 26713537 1 SN4O4C20H22 AB4C4D20E22 -108.18 8.02 -9.11 -1.17 0
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61826 26713547 1 BrS2N3O4C18H22 AB2C3D4E18F22 -106.81 4.27 -8.79 -1.12 0
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61827 26713552 1 SO4N6C18H22 AB4C6D18E22 -103.52 6.42 -9.24 -0.83 0
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61828 26713611 1 N3O5C22H27 A3B5C22D27 -178.4 6.34 -8.71 -0.32 0
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61829 26713613 1 ClSN3O4C23H28 ABC3D4E23F28 -158.63 1.83 -8.77 -1.34 0
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61830 26713623 1 F3N3O3C21H26 A3B3C3D21E26 -277.87 10.55 -9.18 -0.61 0
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61831 26713629 2 FNOC9H9 ABCD9E9 -153.21 4.12 -9.02 -0.82 0
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61832 26713653 1 SN3O4C25H33 AB3C4D25E33 -153.8 4.39 -8.81 -0.99 0
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61833 26713659 1 SN3O5C25H33 AB3C5D25E33 -198.13 5.46 -8.94 -0.59 0
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61834 26713660 1 SN3O4C23H31 AB3C4D23E31 -163.17 3.43 -8.66 -0.98 0
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61835 26713697 1 ClN2O4C23H27 AB2C4D23E27 -138.06 4.95 -8.62 -0.83 0
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61836 26713720 1 N4O4C21H24 A4B4C21D24 -53.7 6.32 -8.96 -1.17 0
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61837 26713825 1 SN2O2C19H22 AB2C2D19E22 -52.61 1.25 -8.92 -0.79 0
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61838 26713842 1 FN3O3C20H22 AB3C3D20E22 -150.0 4.8 -9.04 -0.54 0
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61839 26713847 1 ClN3O3C22H26 AB3C3D22E26 -126.99 2.62 -8.99 -0.61 0
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61840 26713852 1 N3O4C27H35 A3B4C27D35 -160.57 7.59 -8.55 -0.44 0
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61841 26713855 1 N3O4C22H29 A3B4C22D29 -193.99 6.18 -8.58 -0.2 0
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61842 26713885 1 N2O3C24H24 A2B3C24D24 -70.48 4.62 -8.67 -0.63 0
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61843 26713941 2 ClNOC9H9 ABCD9E9 -73.49 2.17 -8.92 -0.83 0
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61844 26713942 2 ClNOC9H9 ABCD9E9 -77.16 3.53 -9.04 -0.87 0
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61845 26713985 2 NOF3H9C10 ABC3D9E10 -382.68 0.43 -8.87 -1.72 0
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61846 26713992 1 SN3O4C22H29 AB3C4D22E29 -159.76 7.22 -9.0 -0.38 0
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61847 26714032 1 SN3O5C24H29 AB3C5D24E29 -161.79 1.82 -8.73 -1.38 1
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61848 26714041 1 SN4O4C23H31 AB4C4D23E31 -71.02 7.0 0.0 0.0 0
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61849 26714123 1 BrSO3N4C21H25 ABC3D4E21F25 -69.28 5.81 -9.36 -0.62 0
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61850 26714187 1 BrN3O5C18H18 AB3C5D18E18 -85.06 5.33 -9.73 -1.34 0