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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399652 135041530 2 O2C7H8 A2B7C8 -58.8 2.08 -9.12 0.23 0
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399653 135041531 1 O4C13H22 A4B13C22 -185.55 1.56 -10.08 -0.62 0
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399654 135041533 1 NSO2C15H15 ABC2D15E15 -41.55 1.18 -9.04 -0.84 0
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399655 135041547 1 FNOH12C16 ABCD12E16 -32.22 5.29 -8.76 -0.6 0
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399656 135041549 1 SiO4C15H28 AB4C15D28 -223.37 2.17 -8.73 -0.87 0
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399657 135041550 1 O5C12H16 A5B12C16 -198.87 2.85 -9.17 0.44 0
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399658 135041561 1 OSiC15H28 ABC15D28 -86.79 1.83 -9.2 0.92 0
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399659 135041565 1 O5C10H14 A5B10C14 -208.14 1.93 -10.47 0.15 0
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399660 135041566 1 SO4C15H22 AB4C15D22 -159.93 6.49 -10.1 -0.78 0
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399661 135041567 1 NO2C16H19 AB2C16D19 -69.08 3.93 -8.36 -0.63 0
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399662 135041568 1 NaSN5O21C26H44 ABC5D21E26F44 -849.2 16.13 -9.76 -1.12 0
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399663 135041569 1 SN5O21C26H45 AB5C21D26E45 -876.75 6.88 -9.94 -0.9 0
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399664 135041570 1 N4O13C18H32 A4B13C18D32 -515.36 4.09 -9.86 -0.37 0
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399665 135041571 1 F2N3O3C7H11 A2B3C3D7E11 -156.7 2.14 -10.33 -0.58 0
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399666 135041574 1 NO3C10H11 AB3C10D11 -71.09 5.73 -9.23 -0.51 0
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399667 135041588 1 N3O4C8H15 A3B4C8D15 -122.46 3.4 -9.98 -0.04 0
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399668 135041604 1 SN4H12C14 AB4C12D14 120.5 4.21 -8.97 -1.11 0
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399669 135041614 1 N2O3H10C13 A2B3C10D13 -29.94 3.54 -8.86 -1.15 0
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399670 135041615 1 NSO3C13H15 ABC3D13E15 -76.2 3.57 -9.24 -1.32 0
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399671 135041618 1 NO3C12H19 AB3C12D19 -108.12 3.64 -8.81 0.09 0
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399672 135041620 1 FON2C15H15 ABC2D15E15 -45.27 3.9 -8.8 -0.36 0
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399673 135041626 1 NSiO2C13H23 ABC2D13E23 -103.14 4.89 -9.19 0.22 0
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399674 135041628 1 NO2S2H9C12 AB2C2D9E12 -7.28 3.43 -9.51 -1.9 0
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399675 135041632 1 OC11H18 AB11C18 -46.45 2.35 -10.07 1.02 1
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399676 135041660 1 ClPO2C8H9 ABC2D8E9 -62.43 2.31 0.0 0.0 0
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399677 135041671 1 BrNO3C15H22 ABC3D15E22 -134.58 5.15 -10.52 -0.26 0
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399678 135041672 1 N2H16C17 A2B16C17 76.29 5.72 -8.34 -0.61 0
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399679 135041692 1 SN2O3C14H18 AB2C3D14E18 -79.39 7.62 -9.15 -0.85 0
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399680 135041729 1 BrNO3C15H22 ABC3D15E22 -137.2 3.83 -10.49 -0.27 0
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399681 135041745 1 OC15H24 AB15C24 -59.73 3.57 -9.05 0.68 0
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399682 135041746 1 OC12H18 AB12C18 -52.87 4.17 -9.88 0.72 0
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399683 135041750 1 ClN4H7C11 AB4C7D11 111.69 3.56 -9.56 -1.44 0
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399684 135041751 1 ClO2H4N5C7 AB2C4D5E7 98.83 6.13 -10.18 -2.03 0
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399685 135041752 1 NO2C13H17 AB2C13D17 -63.75 3.34 -9.54 -0.1 0
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399686 135041753 1 O3C15H16 A3B15C16 -97.18 3.69 -9.3 -0.44 0
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399687 135041754 1 FNOC13H18 ABCD13E18 -73.18 3.09 -10.11 -0.75 0
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399688 135041759 1 NPSe2C15H16 ABC2D15E16 139.5 1.79 -7.97 -0.86 0
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399689 135041760 1 ON2C15H20 AB2C15D20 -1.15 4.01 -8.28 -0.11 0
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399690 135041764 1 NO2C17H17 AB2C17D17 -33.23 4.82 -8.68 -0.44 1
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399691 135041796 3 C5H7 A5B7 10.16 0.47 0.0 0.0 0
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399692 135041797 1 C15H22 A15B22 -16.78 0.68 -9.19 0.48 0
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399694 135041804 1 O4C13H20 A4B13C20 -188.12 1.7 -10.17 -0.26 0
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399695 135041826 1 O2C9H10 A2B9C10 -10.64 2.45 -10.07 0.43 0
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399696 135041827 1 OC19H22 AB19C22 48.29 2.63 -9.54 0.12 0
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399697 135041851 1 O2C17H18 A2B17C18 -34.9 0.3 -8.9 0.12 0
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399698 135041875 1 O4C15H20 A4B15C20 -162.87 2.66 -10.01 0.23 0
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399699 135041884 1 NO3C10H17 AB3C10D17 -117.28 3.64 -9.43 0.44 0
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399700 135041885 1 OC16H16 AB16C16 78.7 2.84 -9.52 0.17 0
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399701 135041893 1 ClO2C10H17 AB2C10D17 -111.1 2.65 -10.44 0.53 0
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399702 135041897 2 IOC5H8 ABC5D8 -91.89 3.35 -9.66 -0.92 0
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399703 135041906 1 BrN2H9C15 AB2C9D15 139.64 1.68 -8.96 -1.02 0
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399704 135041916 6 COH2 ABC2 -274.91 3.05 -10.17 0.71 0
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399705 135041927 2 O3C7H11 A3B7C11 -282.66 2.19 -10.24 0.14 0
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399706 135041930 1 O3C13H22 A3B13C22 -142.26 3.15 -9.76 -0.64 0
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399707 135041934 1 ClSiO2C15H23 ABC2D15E23 -194.83 3.21 -9.43 0.18 0
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399708 135041938 1 ClSiO3C14H21 ABC3D14E21 -184.96 5.08 -9.11 -1.03 0
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399709 135041952 1 FNOC12H14 ABCD12E14 -81.02 1.17 -8.72 -0.28 -1
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399710 135041953 1 NO2C11H14 AB2C11D14 -30.71 1.59 0.0 0.0 0
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399711 135041971 1 ON3H11C16 AB3C11D16 82.09 3.86 -9.94 -1.42 0
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399712 135041974 1 O4C13H14 A4B13C14 -97.91 3.15 -9.68 0.06 0
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399713 135041975 1 BrO3H13C14 AB3C13D14 -73.57 1.86 -9.79 -0.79 0
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399714 135041980 1 BrO2C15H21 AB2C15D21 -49.46 3.92 -9.61 -0.16 0
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399715 135041981 1 SeC17H20 AB17C20 30.6 1.58 -8.28 -0.56 0
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399716 135042016 1 BrNOH10C11 ABCD10E11 -4.34 2.82 -9.18 -1.03 0
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399717 135042027 1 BrNSSiC14H22 ABCDE14F22 -18.47 2.4 -8.48 -0.51 0
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399718 135042041 1 SO3H12C15 AB3C12D15 -57.69 3.37 -9.32 -0.86 0
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399719 135042049 3 C5H6 A5B6 93.65 0.99 -7.62 -1.02 0
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399720 135042050 2 AlCOH3 ABCD3 -141.84 4.62 -7.92 1.72 0
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399721 135042053 1 OC15H22 AB15C22 -50.95 2.73 -9.52 0.68 1
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399722 135042056 1 SO2H5C6 AB2C5D6 0.99 2.86 0.0 0.0 0
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399723 135042058 1 OH12C13 AB12C13 12.99 2.64 -9.42 0.26 -1
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399724 135042062 1 ClO3C6H8 AB3C6D8 -108.79 1.82 0.0 0.0 -5
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399725 135042086 2 CoC4H4O4 AB4C4D4 -406.88 9.63 -11.02 -4.84 0
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399726 135042103 1 NOSC16H17 ABCD16E17 -4.3 2.58 -8.85 -0.48 0
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399727 135042104 1 ClO2H9C10 AB2C9D10 -74.07 5.16 -10.06 -0.34 0
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399728 135042105 1 C17H18 A17B18 43.32 0.84 -9.08 0.39 0
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399729 135042106 1 BrPO4C11H14 ABC4D11E14 -226.86 5.38 -9.68 -0.44 0
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399730 135042107 1 OC13H16 AB13C16 -28.08 1.75 -9.37 0.34 0
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399731 135042108 1 ClNSO3H12C14 ABCD3E12F14 -68.28 7.32 -8.77 -1.11 0
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399732 135042109 1 NaPO6C9H16 ABC6D9E16 -387.14 6.8 -9.28 0.7 0
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399734 135042114 1 NOCl3C9H12 ABC3D9E12 -62.24 4.82 -10.14 -0.61 0
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399735 135042115 1 NOH13C15 ABC13D15 40.38 1.83 -9.67 -0.38 0
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399736 135042116 1 O2H12C15 A2B12C15 -31.3 1.5 -8.64 -0.85 0
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399737 135042143 3 OC5H6 AB5C6 -86.24 4.62 -8.91 -0.07 0
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399738 135042145 1 OC12H22 AB12C22 -68.84 1.62 -9.39 0.76 0
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399739 135042147 2 NOC4H6 ABC4D6 -31.8 1.75 -10.15 -0.62 0
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399740 135042159 1 ClOH9C10 ABC9D10 -12.39 3.53 -9.77 -0.18 0
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399741 135042177 1 ON2H10C13 AB2C10D13 29.47 6.65 -8.78 -1.63 0
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399742 135042181 1 ClNSO3H12C14 ABCD3E12F14 -66.51 7.27 -8.72 -1.09 0
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399743 135042193 1 NSO14C20H35 ABC14D20E35 -650.56 8.36 -9.55 -0.64 0
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399744 135042197 1 ClH15C16 AB15C16 41.37 2.41 -9.25 -0.05 0
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399745 135042198 1 FH15C16 AB15C16 6.18 1.3 -9.31 0.0 0
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399746 135042214 1 OC16H20 AB16C20 -25.88 3.04 -9.3 0.35 0
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399747 135042268 1 BrSO3C12H15 ABC3D12E15 -109.98 2.42 -8.85 -0.78 0
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399748 135042270 1 SiO2C12H20 AB2C12D20 -106.42 5.31 -10.09 0.74 0
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399749 135042271 1 SN2C12H14 AB2C12D14 30.32 6.18 -8.38 -0.31 0
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399750 135042275 1 OC16H20 AB16C20 -26.88 2.99 -9.43 0.69 0
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399751 135042284 1 NC14H17 AB14C17 60.21 3.66 -9.45 -0.3 0
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399752 135042302 1 O2C13H16 A2B13C16 -21.07 5.1 -8.76 -0.02 0
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399753 135042303 1 OSiC11H20 ABC11D20 -88.93 1.78 -9.15 0.27 1