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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174888 75826604 3 O2C4H7 A2B4C7 -249.37 3.9 0.0 0.0 -1
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174889 75826605 1 O6C27H35 A6B27C35 -239.3 5.37 0.0 0.0 -1
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174890 75826606 1 O5C13H15 A5B13C15 -193.49 5.63 0.0 0.0 0
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174891 75826722 1 ClN2O6H13C23 AB2C6D13E23 -46.54 7.18 -9.31 -1.74 0
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174892 75826723 1 SO2N4C24H30 AB2C4D24E30 -46.55 5.42 -9.92 -1.44 -1
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174893 75826724 1 BrSN2O4H18C20 ABC2D4E18F20 -40.26 4.53 0.0 0.0 0
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174894 75826725 1 BrSN2O4H19C20 ABC2D4E19F20 -57.54 4.06 -9.33 -0.84 0
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174895 75826996 1 OSN2C20H20 ABC2D20E20 21.34 5.53 -8.88 -0.82 0
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174896 75826997 1 ClO2N3C22H26 AB2C3D22E26 -56.72 5.8 -9.59 -0.68 0
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174897 75826998 1 N2O3C23H28 A2B3C23D28 -80.98 7.89 -8.48 0.09 0
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174898 75826999 1 OSN3C23H27 ABC3D23E27 6.33 5.32 -8.88 -0.47 0
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174899 75827342 1 SN2O5C18H18 AB2C5D18E18 -127.77 3.03 -8.99 -1.12 0
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174900 75827616 1 SN2O3C20H24 AB2C3D20E24 -86.34 3.66 -9.41 -1.03 -1
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174901 75827813 1 N3O6C17H20 A3B6C17D20 -144.81 2.99 0.0 0.0 0
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174902 75827948 1 ClO2N3C21H24 AB2C3D21E24 -49.58 2.08 -8.78 -0.69 0
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174903 75828165 1 NSO7C19H21 ABC7D19E21 -204.24 2.7 -8.28 -1.16 0
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174904 75829312 1 N4O6H18C19 A4B6C18D19 -74.8 8.19 -9.87 -1.5 0
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174905 75829954 1 BrNO4H14C17 ABC4D14E17 -95.4 6.92 -9.34 -1.29 1
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174906 75830071 1 OSN4C20H29 ABC4D20E29 -23.62 19.08 0.0 0.0 1
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174907 75831220 1 OF3N3C22H33 AB3C3D22E33 -183.1 2.25 0.0 0.0 1
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174908 75831221 1 O2N4C24H35 A2B4C24D35 -36.66 4.4 0.0 0.0 0
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174909 75831222 2 ON2C12H17 AB2C12D17 -63.19 3.61 -8.41 0.18 1
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174910 75831223 1 Cl2N2O3C17H23 A2B2C3D17E23 -116.33 4.82 0.0 0.0 1
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174911 75831224 1 Cl2N3O3C16H18 A2B3C3D16E18 -47.04 6.2 0.0 0.0 1
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174912 75831343 1 SO2N3C18H24 AB2C3D18E24 -18.72 6.02 0.0 0.0 2
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174913 75831517 1 SN4O4C17H26 AB4C4D17E26 -116.12 9.53 -7.02 -0.44 1
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174914 75831518 1 SN4O4C17H25 AB4C4D17E25 -120.48 1.5 0.0 0.0 1
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174915 75831665 1 N3O4C21H26 A3B4C21D26 -39.3 7.96 0.0 0.0 0
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174916 75832120 1 O4H18C19 A4B18C19 -85.63 5.72 -9.0 -0.86 1
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174917 75832293 1 FON5C19H25 ABC5D19E25 4.74 2.51 0.0 0.0 1
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174918 75832471 1 FO2N3C20H27 AB2C3D20E27 -83.3 4.0 0.0 0.0 0
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174919 75832687 1 SO2N3H21C24 AB2C3D21E24 31.35 6.73 -8.83 -0.74 1
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174920 75832688 1 N2O2C20H25 A2B2C20D25 -25.17 5.72 0.0 0.0 1
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174921 75832706 1 O2N3C22H36 A2B3C22D36 -87.12 4.3 0.0 0.0 0
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174922 75832707 1 O2N3C22H35 A2B3C22D35 -110.69 2.93 -8.51 -0.01 1
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174923 75832708 1 O3N4C23H35 A3B4C23D35 -52.71 6.45 0.0 0.0 0
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174924 75832709 1 O3N4C23H34 A3B4C23D34 -77.48 4.08 -8.61 -0.58 1
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174925 75832796 1 N3O3C21H34 A3B3C21D34 -129.11 5.79 0.0 0.0 0
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174926 75832797 3 NOC7H11 ABC7D11 -146.89 6.24 -9.15 0.16 0
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174927 75833049 1 O2N3C20H29 A2B3C20D29 -77.4 6.71 -8.75 0.2 0
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174928 75833268 1 NS2O5C17H19 AB2C5D17E19 -180.8 5.99 -9.42 -0.67 0
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174929 75833525 1 N2O3C17H18 A2B3C17D18 -81.19 3.59 -8.48 0.1 -2
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174930 75834078 1 SCl2N2O4H12C22 AB2C2D4E12F22 41.16 13.15 -9.5 -4.02 0
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174931 75834336 1 O2F3N3H12C14 A2B3C3D12E14 -182.37 7.5 -9.89 -1.71 0
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174932 75834645 1 O3N4C23H32 A3B4C23D32 -65.12 2.72 -8.52 -2.05 1
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174933 75834646 1 ON4C25H41 AB4C25D41 -23.94 6.28 0.0 0.0 0
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174934 75835262 1 O2N3C22H23 A2B3C22D23 8.22 4.43 -9.01 -0.24 0
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174935 75835376 1 ON2S2C15H18 AB2C2D15E18 7.42 2.33 -8.88 -0.33 0
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174936 75835389 1 BrO2F3N3C12H13 AB2C3D3E12F13 -210.76 5.45 -9.23 -0.97 0
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174937 75835688 2 NOC10H10 ABC10D10 -43.0 4.82 -9.19 -0.43 0