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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218052 85088797 1 N2O5C24H28 A2B5C24D28 -178.37 7.33 -9.69 -0.6 0
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218053 85088798 1 SO5C24H24 AB5C24D24 -115.14 5.92 -9.48 -0.47 0
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218054 85088799 1 O5C26H32 A5B26C32 -191.37 2.73 -9.52 -0.59 0
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218055 85088800 1 N2O4C25H32 A2B4C25D32 -90.36 3.21 -8.44 0.11 0
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218056 85088801 1 PO4C24H41 AB4C24D41 -288.85 2.54 -8.82 0.68 0
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218057 85088802 2 O3C12H20 A3B12C20 -331.97 3.65 -9.54 0.51 1
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218058 85088803 1 SiO4N6C18H31 AB4C6D18E31 -122.32 2.66 0.0 0.0 0
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218059 85088804 1 O5C25H44 A5B25C44 -239.33 5.3 -9.5 0.28 0
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218060 85088806 1 SiO3C26H36 AB3C26D36 -147.54 4.33 -8.96 0.1 0
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218061 85088807 1 OC30H48 AB30C48 -112.14 5.43 -9.64 0.12 0
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218062 85088808 1 ClF4N4O4C15H15 AB4C4D4E15F15 -316.34 2.85 -9.17 -0.8 0
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218063 85088809 1 ClSO2N4C21H25 ABC2D4E21F25 -27.94 8.32 -8.42 -0.78 0
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218064 85088810 1 F3N3O4C20H22 A3B3C4D20E22 -272.51 4.83 -10.3 -1.37 0
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218065 85088811 1 LiNO5H24C25 ABC5D24E25 -63.86 18.78 -5.9 -1.33 0
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218066 85088812 1 N3O6C22H23 A3B6C22D23 -21.48 1.96 -8.0 -0.54 0
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218067 85088813 1 NO6C24H27 AB6C24D27 -129.66 1.76 -8.38 -0.54 0
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218068 85088814 1 N3O5C23H27 A3B5C23D27 -84.82 5.07 -8.31 -0.5 0
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218069 85088815 1 N3O5C23H31 A3B5C23D31 -151.94 2.69 -8.5 -0.21 0
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218070 85088816 1 FSO2N5H20C21 ABC2D5E20F21 -27.34 6.56 -8.64 -0.93 0
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218071 85088817 1 NO5C25H31 AB5C25D31 -173.0 3.22 -8.78 -0.08 0
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218072 85088818 1 NSO6C21H31 ABC6D21E31 -260.89 8.59 -8.8 -0.06 0
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218073 85088821 1 OSN3C25H35 ABC3D25E35 -24.86 5.58 -8.06 -0.11 0
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218074 85088822 1 ClN3O8H16C17 AB3C8D16E17 -178.46 2.56 -9.52 -2.23 0
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218075 85088823 1 ClN3O3S3H12C16 AB3C3D3E12F16 -3.13 3.41 -9.62 -1.78 0
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218076 85088824 1 BrSN3O8C11H14 ABC3D8E11F14 -319.17 6.68 -10.47 -1.47 0