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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127703 51012575 1 NSC15H21 ABC15D21 21.74 1.76 -8.85 -0.04 0
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127704 51012576 1 N3O37C69H93 A3B37C69D93 -1539.83 4.78 -9.22 -1.36 -1
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127705 51012577 1 NO3C17H24 AB3C17D24 -97.5 3.49 0.0 0.0 0
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127706 51012586 1 O5C20H24 A5B20C24 -139.39 7.24 -9.66 0.26 0
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127707 51012587 1 O5C20H24 A5B20C24 -136.0 7.23 -9.6 0.32 0
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127708 51012588 1 NO10C51H79 AB10C51D79 -395.11 5.82 -8.2 -0.54 0
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127709 51012589 1 ON2C17H20 AB2C17D20 52.49 6.56 -8.23 -0.1 0
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127710 51012590 1 PSO5C42H47 ABC5D42E47 -100.97 4.3 -8.63 -1.0 0
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127711 51012591 2 F3H5C9 A3B5C9 -245.87 5.99 -9.72 -1.16 0
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127712 51012608 1 N2O9C18H26 A2B9C18D26 -384.53 2.55 -9.69 0.41 0
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127713 51012620 1 ClO2H11C15 AB2C11D15 -17.5 2.24 -10.34 -1.36 0
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127714 51012633 1 ClNO2H6C8 ABC2D6E8 -39.93 5.76 -10.54 -0.73 0
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127715 51012634 1 O3C11H18 A3B11C18 -153.93 2.59 -9.81 0.98 0
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127716 51012635 1 NSBr2O4C17H29 ABC2D4E17F29 -203.57 6.98 -9.86 -0.66 0
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127717 51012636 1 NO15C46H47 AB15C46D47 -544.84 4.96 -9.85 -0.9 0
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127718 51012637 1 SiO6C31H44 AB6C31D44 -252.0 4.63 -8.88 0.08 0
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127719 51012638 1 ClN2O3C20H23 AB2C3D20E23 -84.09 7.44 -9.16 -0.35 0
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127720 51012639 1 O3C15H20 A3B15C20 -122.83 2.11 -9.49 0.18 0
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127721 51012656 1 NO5C16H17 AB5C16D17 -194.19 9.78 -9.45 -0.8 0
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127722 51012697 1 O35C45H74 A35B45C74 -1524.56 4.89 -10.28 -0.02 0
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127723 51012698 1 OC17H18 AB17C18 0.41 3.56 -9.07 -0.22 0
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127724 51012812 1 NO3C19H25 AB3C19D25 -117.62 5.04 -9.18 0.09 0
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127725 51012813 2 NO3C8H10 AB3C8D10 -122.1 2.91 -9.39 -1.83 0
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127726 51012838 3 O5C13H16 A5B13C16 -676.09 7.82 -9.8 -0.91 0
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127727 51012849 1 NF2O3C23H27 AB2C3D23E27 -182.44 1.41 -8.84 -0.26 0
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127728 51012850 1 SSiN2F3O7C22H37 ABC2D3E7F22G37 -502.82 4.11 -8.82 -1.11 1
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127729 51012851 1 SiN2O4C21H37 AB2C4D21E37 -218.45 2.05 0.0 0.0 0
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127730 51013024 1 NSeO3C21H27 ABC3D21E27 -88.34 3.65 -8.66 -0.43 0
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127731 51013131 2 O2H11C12 A2B11C12 -90.87 7.06 -9.82 -0.25 0
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127732 51013154 1 O6C15H22 A6B15C22 -247.9 6.65 -10.17 0.08 0
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127733 51013159 1 OC11H14 AB11C14 16.55 2.66 -9.1 0.31 0
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127734 51013199 1 BrNOC21H24 ABCD21E24 -1.77 1.96 -8.7 -0.34 0
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127735 51013200 1 N5O6C44H65 A5B6C44D65 -289.41 2.3 -8.44 -0.1 0
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127736 51013201 1 PSO5C45H45 ABC5D45E45 -123.92 7.77 -9.19 -0.4 0
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127737 51013232 1 N2C13H18 A2B13C18 50.23 0.44 -9.15 0.08 0
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127738 51013233 1 NSO2C16H23 ABC2D16E23 -72.53 4.51 -9.7 -0.04 0
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127739 51013234 1 NO12C38H67 AB12C38D67 -620.34 7.48 -9.57 0.42 0
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127740 51013235 1 SO37C51H80 AB37C51D80 -1641.09 7.96 -10.0 -0.71 0
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127741 51013299 1 NSO5C21H27 ABC5D21E27 -184.37 5.74 -9.78 -0.97 0
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127742 51013357 1 N3O9C30H43 A3B9C30D43 -286.02 8.32 -9.01 -0.86 2
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127743 51013358 1 N2C23H38 A2B23C38 80.52 9.95 -3.8 0.77 0
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127744 51013439 1 OC15H22 AB15C22 -40.54 2.83 -9.18 0.97 0
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127745 51013537 1 NS2C12O15H17 AB2C12D15E17 -591.97 2.54 -10.52 -1.42 0
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127746 51013609 2 NOC8H10 ABC8D10 -75.11 5.43 -9.17 -0.44 0
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127747 51013610 2 NOC8H10 ABC8D10 -75.63 5.22 -9.18 -0.47 0
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127748 51013611 1 O4C13H16 A4B13C16 -128.83 5.4 -9.64 -0.12 0
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127749 51013725 1 NSO3C16H21 ABC3D16E21 -124.62 0.89 -8.44 0.11 0
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127750 51013726 1 N2O5C14H22 A2B5C14D22 -234.3 2.54 -9.26 0.28 0
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127751 51013727 2 OH4C5 AB4C5 -13.22 3.47 -10.16 -0.55 0
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127752 51013730 1 ClO2C16H23 AB2C16D23 -119.38 2.55 -9.45 -0.31 0
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127753 51013731 1 NO3C15H25 AB3C15D25 -176.96 4.16 -9.44 0.66 0
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127754 51013825 2 NF3H10C12 AB3C10D12 -214.8 3.42 -9.88 -0.72 0
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127755 51013916 1 Cl2N3O3C35H37 A2B3C3D35E37 -52.34 5.05 -9.29 -0.29 0
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127756 51014027 1 O2C15H20 A2B15C20 -100.38 3.43 -9.61 0.5 0
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127757 51014043 1 OC11H14 AB11C14 -23.91 2.36 -9.55 0.53 0
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127758 51014044 1 O38C71H116 A38B71C116 -1536.9 7.01 -9.41 -0.62 0
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127759 51014045 1 N3O5C18H25 A3B5C18D25 -159.31 2.99 -8.11 -1.39 0
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127760 51014281 1 NSSiO4C36H59 ABCD4E36F59 -250.35 4.76 -9.1 0.1 0
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127761 51014282 1 O3C16H18 A3B16C18 -85.56 1.64 -9.24 -0.25 0
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127762 51014323 1 SN2O6C28H30 AB2C6D28E30 -184.67 5.13 -7.94 -0.7 0
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127763 51014356 1 NO2C19H31 AB2C19D31 -37.88 2.55 -8.98 1.78 0
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127764 51014428 1 OC13H16 AB13C16 -44.35 2.35 -8.49 0.48 0
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127765 51014429 1 N2Cl3O13C39H41 A2B3C13D39E41 -499.39 4.81 -8.56 -0.71 0
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127766 51014430 2 O2C32H35 A2B32C35 -77.37 4.75 -9.0 0.19 0
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127767 51014431 1 O4C19H26 A4B19C26 -159.46 4.98 -9.76 0.4 0
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127768 51014447 3 O3C10H14 A3B10C14 -401.5 3.11 -9.35 0.0 0
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127769 51014448 1 NO4C31H47 AB4C31D47 -113.68 11.12 -5.65 -1.14 0
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127770 51014449 1 BClOSiC31H46 ABCDE31F46 -133.76 2.02 -8.92 0.16 0
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127771 51014484 1 N2O4C21H26 A2B4C21D26 -116.63 4.72 -9.01 -0.15 0
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127772 51014532 1 BrN2O2C26H31 AB2C2D26E31 -20.96 17.19 -7.53 -1.0 0
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127773 51014537 2 ON2C16H23 AB2C16D23 -69.48 6.32 -8.36 0.18 0
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127774 51014614 1 O4C13H18 A4B13C18 -175.12 2.89 -9.89 0.6 0
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127775 51014682 2 NOC11H11 ABC11D11 -25.01 4.64 -8.87 -0.23 0
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127776 51014708 1 O2S2N3C20H27 A2B2C3D20E27 -27.35 6.0 -8.48 -0.93 0
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127777 51014781 1 O2C11H16 A2B11C16 -97.08 5.13 -9.88 0.61 0