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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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170777 75277660 1 N3O4C17H19 A3B4C17D19 -99.04 3.35 -8.45 -1.18 0
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170778 75277661 1 F3N3O4C16H18 A3B3C4D16E18 -311.35 4.22 -9.47 -0.89 0
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170779 75278001 1 ClN4O5C21H23 AB4C5D21E23 -101.01 7.47 -9.16 -1.5 0
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170780 75278433 1 SF2N3O3H15C18 AB2C3D3E15F18 -124.33 5.82 -9.6 -1.17 0
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170781 75279405 1 SN2O2C18H22 AB2C2D18E22 -49.13 6.95 -9.29 -1.11 0
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170782 75279406 1 N3O3C16H17 A3B3C16D17 -76.28 8.05 -9.49 -1.24 0
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170783 75280045 1 N2O3C25H30 A2B3C25D30 -106.12 5.51 -9.38 -0.02 0
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170784 75280046 1 N2O3C21H30 A2B3C21D30 -144.26 7.5 -9.66 -0.04 0
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170785 75280047 1 N2O3C20H28 A2B3C20D28 -141.32 6.69 -9.49 0.28 0
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170786 75280048 1 N2O3C21H30 A2B3C21D30 -146.74 5.97 -9.41 0.35 0
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170787 75280049 1 N2O3C26H32 A2B3C26D32 -113.1 5.07 -9.47 0.11 0
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170788 75280050 1 ClN2O3C23H31 AB2C3D23E31 -153.79 6.01 -9.46 -0.24 0
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170789 75280431 2 NOC8H10 ABC8D10 -51.66 7.19 -9.28 -1.04 0
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170790 75280683 2 NOC8H9 ABC8D9 15.96 9.57 -9.07 -1.08 0
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170791 75280708 1 ClN2O2C17H19 AB2C2D17E19 4.77 8.06 -9.09 -1.1 0
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170792 75281050 1 N2O2C23H24 A2B2C23D24 -22.84 6.31 -9.29 -1.02 0
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170793 75281243 3 ON2C6H6 AB2C6D6 53.1 6.48 -9.24 -1.01 0
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170794 75281322 1 N2S3O4C19H24 A2B3C4D19E24 -107.1 5.0 -8.78 -0.64 0
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170795 75281323 1 FN3O4C26H26 AB3C4D26E26 -84.27 3.56 -8.75 -0.75 0
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170796 75281324 1 FN3O3C28H28 AB3C3D28E28 -52.6 3.89 -8.72 -0.55 0
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170797 75281325 1 FSN3O3C26H26 ABC3D3E26F26 -48.35 3.51 -8.74 -0.98 0
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170798 75281326 1 ClFN3O3H27C28 ABC3D3E27F28 -61.64 3.97 -8.72 -0.61 0
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170799 75281446 1 N2O5C27H30 A2B5C27D30 -102.24 3.1 -8.78 -0.37 0
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170800 75281502 1 FSN2O6C27H27 ABC2D6E27F27 -200.82 5.45 -8.39 -0.79 0
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170801 75281607 1 FO2N4C21H23 AB2C4D21E23 -69.99 5.38 -8.82 -0.24 0
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170802 75281688 1 O3N4H14C15 A3B4C14D15 -35.14 3.87 -8.65 -1.71 0
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170803 75281911 2 ClN2O4H20C23 AB2C4D20E23 -173.76 5.13 -8.8 -0.82 0
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170804 75282425 1 ClN3O3C18H18 AB3C3D18E18 -49.92 6.34 -9.29 -1.3 0
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170805 75282426 1 O2F3N4C28H37 A2B3C4D28E37 -238.5 6.64 -9.15 -1.17 0
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170806 75282427 1 OF3N5C26H36 AB3C5D26E36 -155.04 3.98 -8.42 -1.15 0
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170807 75282428 1 F3N4O4H17C21 A3B4C4D17E21 -253.55 5.32 -10.01 -0.9 0
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170808 75282429 1 Cl2N3O3C13H13 A2B3C3D13E13 -121.33 6.0 -10.11 -1.11 0
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170809 75282430 1 F3N4O6H25C28 A3B4C6D25E28 -346.43 4.02 -9.34 -1.34 0
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170810 75282770 1 N2O5C28H34 A2B5C28D34 -192.55 4.32 -8.82 -0.44 0
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170811 75282858 1 F3N3O3C22H24 A3B3C3D22E24 -215.71 5.55 -9.13 -0.69 0
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170812 75283006 1 N5O37C57H93 A5B37C57D93 -1488.68 14.45 -8.37 -1.01 0
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170813 75283152 1 NO4C10H13 AB4C10D13 -78.86 4.69 -9.04 -0.72 0
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170814 75283153 1 ClNO2C10H16 ABC2D10E16 -109.36 2.69 -9.21 -0.24 0
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170815 75283154 2 NOH10C12 ABC10D12 22.73 3.03 -8.62 -1.29 0
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170816 75283536 1 NSO7C30H33 ABC7D30E33 -244.55 4.64 -8.69 -0.27 1
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170817 75283762 1 N3O3C20H22 A3B3C20D22 -85.99 2.35 0.0 0.0 1
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170818 75283989 1 SN3O4C16H18 AB3C4D16E18 -113.11 1.98 0.0 0.0 1
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170819 75284683 1 SN3O3C18H20 AB3C3D18E20 -84.7 5.39 0.0 0.0 0
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170820 75284684 1 ClSN3O3H22C23 ABC3D3E22F23 -74.69 2.73 -9.16 -0.58 0
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170821 75284685 1 SN3O4H23C24 AB3C4D23E24 -97.88 3.58 -8.56 -0.66 0
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170822 75284761 1 FSN3O4C19H20 ABC3D4E19F20 -161.26 2.3 -9.12 -0.57 0
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170823 75284762 1 FSN3O3C19H22 ABC3D3E19F22 -133.89 2.49 -9.15 -0.62 0
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170824 75284818 1 FSN3O4H20C22 ABC3D4E20F22 -126.78 4.37 -9.02 -0.59 0
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170825 75284819 1 FSN3O4H20C22 ABC3D4E20F22 -127.58 3.22 -9.13 -0.61 0
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170826 75284850 1 SF3N3O3H14C20 AB3C3D3E14F20 -183.32 6.34 -9.2 -0.95 0