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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173738 75677078 1 O2S2N9H14C17 A2B2C9D14E17 125.75 8.78 0.0 0.0 -1
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173739 75677079 1 N2O3H19C26 A2B3C19D26 58.57 7.22 0.0 0.0 -1
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173740 75677080 1 BrO2N5H9C11 AB2C5D9E11 26.18 6.71 0.0 0.0 -1
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173741 75677303 1 N2S2O5H21C25 A2B2C5D21E25 -78.43 7.76 0.0 0.0 -1
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173742 75677304 1 N3O3C24H26 A3B3C24D26 -30.38 23.73 0.0 0.0 0
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173743 75677305 1 O4N5H15C20 A4B5C15D20 84.26 12.27 -9.29 -1.22 0
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173744 75677646 1 NO4C10H11 AB4C10D11 -91.25 4.63 -9.27 -0.67 -1
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173745 75677909 1 N2O3S3H17C22 A2B3C3D17E22 -1.78 5.71 0.0 0.0 -1
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173746 75677910 1 ClOSN3C9H9 ABCD3E9F9 41.63 5.96 0.0 0.0 -1
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173747 75678371 1 N3O3H12C16 A3B3C12D16 8.81 7.03 0.0 0.0 -1
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173748 75678747 1 N2O2S3H9C12 A2B2C3D9E12 25.1 6.94 0.0 0.0 -1
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173749 75678748 1 N3O5H16C18 A3B5C16D18 -67.54 6.62 0.0 0.0 0
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173750 75678749 1 N3O5H17C18 A3B5C17D18 -125.98 7.42 -9.4 -1.32 -1
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173751 75678841 1 N2O5C21H29 A2B5C21D29 -167.44 6.0 0.0 0.0 0
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173752 75678878 1 SO2N5H19C21 AB2C5D19E21 20.38 5.53 -8.89 -1.17 0
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173753 75678894 1 ClON3C21H24 ABC3D21E24 3.49 3.9 -8.79 -0.18 1
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173754 75679062 1 O3N4C16H27 A3B4C16D27 -121.7 0.81 0.0 0.0 -1
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173755 75679063 1 N3O4H20C21 A3B4C20D21 -45.03 20.28 0.0 0.0 1
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173756 75679634 1 ClON4C20H30 ABC4D20E30 -5.32 1.63 0.0 0.0 1
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173757 75679635 1 SO2N4C22H29 AB2C4D22E29 -40.89 4.22 0.0 0.0 1
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173758 75679636 1 ON4C20H29 AB4C20D29 2.06 6.28 0.0 0.0 1
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173759 75679637 1 O2N3C21H26 A2B3C21D26 -6.56 4.25 0.0 0.0 1
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173760 75679638 1 ON6C21H29 AB6C21D29 34.15 3.64 0.0 0.0 1
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173761 75679639 1 ON6C20H27 AB6C20D27 39.26 3.71 0.0 0.0 1
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173762 75679640 1 O2N4C23H29 A2B4C23D29 10.37 7.67 0.0 0.0 1
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173763 75679641 1 ON4C22H27 AB4C22D27 52.44 8.31 0.0 0.0 1
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173764 75679642 1 ON5C19H28 AB5C19D28 21.97 2.0 0.0 0.0 1
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173765 75679643 1 SO2N4C19H23 AB2C4D19E23 -33.14 19.41 0.0 0.0 1
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173766 75679644 1 ON5C24H30 AB5C24D30 61.16 14.16 0.0 0.0 1
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173767 75679793 1 O2N3C21H30 A2B3C21D30 -54.44 4.39 0.0 0.0 2
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173768 75679938 1 ON2C17H32 AB2C17D32 -39.67 3.02 -8.82 0.17 1
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173769 75679939 1 O2N5C16H20 A2B5C16D20 29.25 11.3 0.0 0.0 1
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173770 75680035 1 OSN3C17H24 ABC3D17E24 26.84 2.1 0.0 0.0 0
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173771 75680036 1 ON5C12H17 AB5C12D17 10.34 2.95 -9.35 0.34 0
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173772 75680037 1 O2N4C13H18 A2B4C13D18 -6.43 2.15 -9.27 -0.2 1
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173773 75680068 1 ClON5C19H19 ABC5D19E19 76.65 11.07 0.0 0.0 0
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173774 75680069 1 ON5C15H21 AB5C15D21 12.48 3.35 -9.21 0.77 1
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173775 75680342 1 N2O6C19H35 A2B6C19D35 -273.46 1.26 0.0 0.0 0
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173776 75680596 1 SN4O4C24H30 AB4C4D24E30 -122.82 8.21 -8.99 -0.54 0
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173777 75680775 1 ON5C20H23 AB5C20D23 25.82 2.48 -8.87 -0.18 0
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173778 75680962 1 N3O4C20H27 A3B4C20D27 -149.82 3.15 -8.72 -0.06 1
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173779 75680984 1 O2N3C23H28 A2B3C23D28 -16.97 4.55 0.0 0.0 1
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173780 75682249 1 O2N4C21H33 A2B4C21D33 -55.23 5.04 0.0 0.0 0
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173781 75682250 1 O2N4C21H32 A2B4C21D32 -80.45 3.32 -8.76 -0.05 1
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173782 75682432 3 ON2C6H9 AB2C6D9 -15.78 5.25 0.0 0.0 2
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173783 75682433 1 ON4C20H36 AB4C20D36 92.42 3.12 -2.77 0.32 0
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173784 75682628 1 O2S2N5C20H27 A2B2C5D20E27 -7.2 10.83 -8.52 -0.68 0
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173785 75682864 1 NO5H7C11 AB5C7D11 -153.4 3.48 -10.74 -2.23 1
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173786 75682865 1 SN2O3C8H19 AB2C3D8E19 -115.01 9.07 0.0 0.0 1
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173787 75682866 1 N2C17H31 A2B17C31 6.67 1.56 0.0 0.0 -1