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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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144805 53415721 1 SN2O2C16H18 AB2C2D16E18 -22.75 3.13 -8.58 -0.4 0
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144806 53415722 1 NSO2C17H19 ABC2D17E19 -30.94 4.33 -8.54 -0.34 0
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144807 53415723 1 N2O4H8C13 A2B4C8D13 3.27 2.49 -10.41 -2.14 0
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144808 53415776 1 ClNF3C5H9 ABC3D5E9 -196.33 3.61 -10.04 1.62 0
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144809 53415839 1 SO3H14C15 AB3C14D15 -63.92 2.92 -8.88 -0.72 -1
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144811 53415893 2 ClNH2C4 ABC2D4 49.14 3.42 -9.82 -1.56 0
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144812 53415894 1 Cl2N2H4C7 A2B2C4D7 73.5 2.85 -10.12 -1.6 0
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144813 53416941 1 ClNO2C15H20 ABC2D15E20 -85.11 2.63 -9.1 -0.16 0
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144814 53417050 1 FO2N3C6H6 AB2C3D6E6 34.91 4.33 -9.84 -1.69 0
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144815 53417051 1 FO2N3H6C7 AB2C3D6E7 -6.16 2.53 -10.24 -2.0 0
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144816 53417431 1 N2O2F3H7C8 A2B2C3D7E8 -210.88 5.35 -9.47 -1.14 0
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144817 53417732 1 ON2C12H16 AB2C12D16 -31.58 3.25 -9.44 0.11 0
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144818 53417733 1 ON2C11H14 AB2C11D14 -28.12 3.89 -9.49 -0.16 0
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144819 53418453 1 ClON3H10C13 ABC3D10E13 58.8 5.46 -8.87 -1.03 0
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144820 53418511 1 ClNO2H8C10 ABC2D8E10 -65.91 8.24 -8.98 -0.82 0
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144821 53419352 2 OF3H5C6 AB3C5D6 -398.02 4.68 -10.75 -1.23 0
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144822 53419356 1 Cl2O2C11H12 A2B2C11D12 -104.71 1.54 -9.43 -0.44 0
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144823 53419544 1 NO5C11H19 AB5C11D19 -239.2 6.4 -10.15 0.08 0
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144824 53419545 1 ClN2O4C12H15 AB2C4D12E15 -170.8 3.25 -9.66 -1.2 0
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144825 53419876 1 ClO2N6C14H17 AB2C6D14E17 51.49 6.63 -9.43 -1.4 0
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144826 53420311 1 ClN2F3H4C6 AB2C3D4E6 -138.76 3.86 -9.24 -1.02 0
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144827 53420312 2 NOC4H5 ABC4D5 -62.78 2.56 -9.02 -0.7 0
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144828 53420599 1 NPO5C10H22 ABC5D10E22 -308.15 5.67 -10.43 0.71 0
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144829 53420802 2 OC9H14 AB9C14 -79.96 5.02 -9.48 0.53 0
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144830 53420904 1 Cl2N2O2C13H18 A2B2C2D13E18 -23.49 28.05 -7.27 -3.4 -2
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144831 53421149 1 N2O6C9H20 A2B6C9D20 -103.48 4.18 -10.08 -7.48 0
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144832 53421323 1 NO2F4H7C8 AB2C4D7E8 -264.06 4.02 -8.97 -0.52 -1
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144833 53421883 1 NO3C8H16 AB3C8D16 -146.17 5.98 0.0 0.0 0
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144834 53422197 1 BrClNOH17C18 ABCDE17F18 -11.08 3.9 -9.1 -1.27 1
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144835 53422301 1 ICl4N4O4C31H35 AB4C4D4E31F35 -147.42 9.53 -7.05 -1.67 0
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144836 53422316 1 P2N6O15C21H26 A2B6C15D21E26 -642.85 21.75 -8.92 -1.44 0
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144837 53422442 2 NOC7H7 ABC7D7 -0.11 3.36 -7.97 -0.74 1
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144838 53422505 1 O2N3C9H16 A2B3C9D16 -43.92 4.53 0.0 0.0 0
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144839 53422506 2 OC7H9 AB7C9 -75.26 1.79 -9.2 -0.02 0
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144840 53422507 1 NO4C21H21 AB4C21D21 -98.97 4.03 -8.88 -1.1 -2
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144841 53422508 1 NSO4C16H21 ABC4D16E21 -118.43 1.59 -8.5 -0.01 0
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144842 53422509 1 H3C8F13 A3B8C13 -651.83 1.12 -11.56 -1.13 0
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144843 53422654 1 PO5C16H33 AB5C16D33 -351.35 2.81 -10.95 0.53 0
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144844 53422658 1 O3C32H40 A3B32C40 -77.69 4.42 -9.09 -0.77 0
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144845 53422659 1 IO2C21H39 AB2C21D39 -151.98 3.86 -9.49 -0.69 0
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144846 53422660 1 O3C32H40 A3B32C40 -77.74 1.99 -9.06 -0.78 0
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144848 53422849 1 OH36C45 AB36C45 144.8 3.08 -8.29 -0.47 0
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144849 53422976 1 NOCl2H7C11 ABC2D7E11 3.87 4.87 -9.34 -0.47 0
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144850 53423078 1 ClNOC19H24 ABCD19E24 -45.74 6.04 -9.51 -0.06 -1
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144851 53423079 1 Cl2O3C12H13 A2B3C12D13 -75.71 13.13 0.0 0.0 0
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144852 53423248 1 ClN3C11H14 AB3C11D14 4.36 5.11 -9.03 -0.14 0
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144853 53423602 2 NH10C12 AB10C12 116.3 4.64 -8.25 -0.34 0
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144854 53423793 1 N2C13H20 A2B13C20 2.85 2.58 -9.11 0.1 0
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144856 53424909 1 N2C15H16 A2B15C16 70.95 2.98 -8.76 0.05 0
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144857 53425001 1 O3H10C11 A3B10C11 -86.66 3.63 -9.14 -1.08 0