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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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409795 135082580 1 BO5C27H35 AB5C27D35 -160.74 3.97 -8.63 -0.02 0
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409796 135082581 1 BrSO2N4H13C22 ABC2D4E13F22 179.44 1.58 -8.45 -1.44 0
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409797 135082583 1 SiC12H16 AB12C16 79.62 1.99 -9.07 0.49 0
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409798 135082584 2 H17C57 A17B57 1598.81 8.36 -7.75 -2.05 0
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409799 135082585 16 CH AB 168.53 0.0 -7.85 0.27 0
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409800 135082586 3 H4C5 A4B5 116.52 0.73 -8.63 -0.55 -1
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409801 135082587 1 PCo2O6C11H12 AB2C6D11E12 -234.57 17.86 0.0 0.0 0
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409802 135082588 1 PtCl2P3C31H59 AB2C3D31E59 -67.77 5.13 -8.71 -1.66 0
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409803 135082589 1 ClPC19H30 ABC19D30 -39.04 3.4 -8.78 -0.1 0
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409804 135082590 2 SSeC12H15 ABC12D15 65.71 2.69 -8.45 -2.0 0
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409805 135082591 2 SSeC9H15 ABC9D15 37.85 1.91 -8.2 -1.81 0
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409806 135082592 2 SSeC15H19 ABC15D19 80.93 5.26 -7.89 -1.01 0
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409807 135082593 1 O9C26H32 A9B26C32 -389.37 4.63 -9.86 -1.41 0
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409808 135082594 1 LiO2C13H17 AB2C13D17 -76.77 8.12 -7.66 1.16 0
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409809 135082595 1 N3O4H11C23 A3B4C11D23 208.14 5.26 -9.51 -2.48 0
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409810 135082596 1 NO5C8H11 AB5C8D11 -203.43 7.46 -10.11 -0.1 1
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409811 135082597 1 BrSeTeH12C14 ABCD12E14 36.51 4.23 0.0 0.0 1
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409812 135082598 1 NO5H10C15 AB5C10D15 -32.22 7.15 0.0 0.0 0
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409813 135082599 1 NO2C21H23 AB2C21D23 -31.9 2.77 -9.23 0.29 0
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409814 135082600 1 N2O2S3H14C16 A2B2C3D14E16 15.85 6.07 -8.21 -0.58 0
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409828 135082615 1 ClNO6C12H18 ABC6D12E18 -218.45 3.21 -9.67 -1.56 0
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409829 135082616 1 SCl2O2C16H32 AB2C2D16E32 -177.77 3.64 -10.67 0.23 0
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409830 135082617 1 SCl2O2C16H32 AB2C2D16E32 -171.94 6.69 -10.83 -1.02 0
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409831 135082618 1 NO3C18H39 AB3C18D39 -171.76 4.62 -8.52 2.13 0
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409833 135082620 1 TiF2O4H32C39 AB2C4D32E39 -179.13 3.77 -7.98 -0.9 0
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409834 135082621 1 TiCl2O4H36C55 AB2C4D36E55 382.65 4.28 -7.77 -1.57 0
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409835 135082622 1 O4H36C55 A4B36C55 71.04 3.47 -8.27 -1.28 0
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409838 135082625 1 O4H38C49 A4B38C49 4.0 3.74 -8.24 -1.27 0
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409840 135082627 1 O4H34C47 A4B34C47 5.68 2.07 -8.4 -1.13 0
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409843 135082630 2 O2H19C28 A2B19C28 62.27 2.72 -8.31 -1.18 0
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409845 135082632 2 O2C17H18 A2B17C18 -98.95 2.63 -9.41 0.02 0
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409847 135082634 2 O2H20C25 A2B20C25 -6.87 1.63 -8.36 -1.13 0
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409850 135082637 4 OH9C13 AB9C13 43.67 2.7 -8.34 -1.15 0
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409851 135082638 1 TiF2O4H36C45 AB2C4D36E45 -133.48 3.46 -7.61 -1.07 0
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409852 135082639 1 O4H36C45 A4B36C45 3.07 2.25 -8.88 -0.52 0
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409853 135082640 1 TiCl2O4H40C61 AB2C4D40E61 502.07 6.67 -7.71 -1.88 0
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409854 135082641 1 O4H40C61 A4B40C61 248.51 2.05 -8.45 -1.05 0
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409855 135082642 1 FeNOPH26C32 ABCDE26F32 90.12 4.24 -6.82 -0.5 0
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409857 135082644 1 O4H38C39 A4B38C39 -61.14 2.3 -9.32 0.08 0
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409858 135082645 1 TiCl2O4H42C55 AB2C4D42E55 737.38 9.38 -6.45 -2.26 0
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409859 135082646 1 O4H42C55 A4B42C55 33.76 2.72 -8.37 -1.13 0
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409861 135082648 1 NOS2H3C4 ABC2D3E4 -8.41 0.49 -9.18 -1.76 1
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409862 135082649 1 SeH9C13 AB9C13 56.48 0.67 0.0 0.0 0
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409863 135082650 1 SSeH4C5 ABC4D5 52.74 3.91 -8.49 -1.61 0
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409864 135082651 1 BrNOPH27C32 ABCDE27F32 101.43 5.72 -8.55 -0.51 0
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409865 135082652 1 ClNOPC26H39 ABCDE26F39 -60.38 7.46 -8.18 -0.3 -4
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409866 135082653 2 AuBrC6H14 ABC6D14 21.9 3.59 -9.6 -1.6 -4
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409867 135082654 2 AuClC6H14 ABC6D14 0.62 8.11 -8.18 -1.31 -1
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409868 135082655 1 AuBrP2C14H34 ABC2D14E34 8.56 16.72 -5.85 -0.6 0
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409869 135082656 1 AuClP2H34C38 ABC2D34E38 129.88 4.35 -7.91 -0.46 0
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409870 135082657 1 AuClP2H38C40 ABC2D38E40 216.37 10.13 -6.54 -0.64 0
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409871 135082658 1 AuClP2C44H46 ABC2D44E46 199.69 19.05 -5.22 -1.11 1
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409872 135082659 1 NAu2P2H28C31 AB2C2D28E31 259.29 18.0 0.0 0.0 0
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409873 135082660 1 NPAu2S2C19H24 ABC2D2E19F24 116.67 8.14 -8.44 -1.07 0
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409874 135082661 1 ClAu2P2S2O4C33H47 AB2C2D2E4F33G47 113.52 24.42 -7.54 -2.92 0
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409875 135082662 1 OAu2Cl2P2H32C39 AB2C2D2E32F39 336.63 8.36 -8.74 -2.08 0
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409876 135082663 1 AuPF3C11H11 ABC3D11E11 -98.22 14.43 -9.67 -0.94 0
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409877 135082664 1 ON4C11H12 AB4C11D12 39.96 3.9 -9.32 -0.79 0
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409878 135082665 1 ClHgC10H15 ABC10D15 -1.83 2.63 -9.29 0.12 0
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409880 135082667 2 TeH3C4 AB3C4 54.25 0.32 -7.77 -0.3 0
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409881 135082668 2 SeH3C4 AB3C4 43.54 0.11 -7.76 -0.3 0
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409882 135082669 1 O5C11H14 A5B11C14 -224.69 8.06 -10.46 -0.11 0
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409883 135082670 1 ON2C10H12 AB2C10D12 30.43 3.96 -9.0 -1.23 1
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409884 135082671 1 ON2C10H13 AB2C10D13 11.93 4.44 0.0 0.0 0
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409885 135082672 2 N2O2H5C7 A2B2C5D7 17.44 1.62 -9.54 -1.55 2
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409886 135082673 2 N2O2H6C7 A2B2C6D7 62.1 7.43 -5.37 -2.31 0
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409887 135082674 1 N2O5H10C14 A2B5C10D14 -107.83 5.37 -8.97 -1.25 1
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409888 135082675 1 N2O5H11C14 A2B5C11D14 -113.39 7.0 0.0 0.0 0
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409889 135082676 1 FNOC13H16 ABCD13E16 -50.79 3.82 -8.18 0.2 0
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409890 135082677 1 FNOC14H18 ABCD14E18 -63.08 1.64 -8.02 0.25 0
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409891 135082678 1 BC17H33 AB17C33 -63.94 0.36 -8.99 0.52 0
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409892 135082679 1 BC27H45 AB27C45 -37.88 0.63 -9.1 0.43 0
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409893 135082680 1 FeB2O3F4N9C15H29 AB2C3D4E9F15G29 -370.77 5.99 -8.65 -0.92 -1
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409894 135082681 1 BO3N9C15H29 AB3C9D15E29 38.64 3.41 0.0 0.0 0
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409895 135082682 1 B2O2C25H42 A2B2C25D42 -170.31 1.76 -9.26 0.43 0
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409896 135082683 1 SN2O4H8C9 AB2C4D8E9 -117.21 2.84 -9.81 -0.76 0
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409897 135082684 1 SN2O4H10C14 AB2C4D10E14 -81.93 4.51 -9.72 -0.92 0
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409898 135082685 1 SN2O4H12C15 AB2C4D12E15 -93.64 5.41 -9.66 -0.77 0
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409899 135082686 1 AlLiN2O4C46H46 ABC2D4E46F46 -103.37 19.74 -6.88 -1.29 0
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409900 135082687 1 AlN2O4C46H47 AB2C4D46E47 -107.31 3.01 -8.55 0.01 -1
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409901 135082688 1 N2S2O4C15H29 A2B2C4D15E29 -182.57 6.31 0.0 0.0 0
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409902 135082689 1 N2S2O4C15H30 A2B2C4D15E30 -201.03 0.73 -8.23 -0.25 0
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409903 135082690 1 NPH8C11 ABC8D11 62.37 2.65 -9.04 -1.11 0
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409904 135082691 2 OC11H14 AB11C14 -107.41 0.1 -9.48 0.2 0
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409905 135082692 1 BC10H18 AB10C18 2.21 1.2 0.0 0.0 0
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409907 135082694 1 BNC14H26 ABC14D26 -58.8 2.13 -8.16 1.52 0
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409908 135082695 1 BC6H11 AB6C11 -14.32 0.82 -8.92 0.83 0
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409909 135082696 1 NSiB2C13H29 ABC2D13E29 -104.82 1.53 -7.94 1.08 0
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409910 135082697 1 BOC30H45 ABC30D45 -45.46 2.76 -8.73 0.23 0
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409912 135082699 1 KNSi2C9H22 ABC2D9E22 -40.38 11.37 -5.34 0.08 0
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409913 135082700 1 NSi2C9H22 AB2C9D22 -71.55 0.41 0.0 0.0 0
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409914 135082701 1 O2N3H11C14 A2B3C11D14 -4.46 5.42 -9.07 -1.59 1
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409915 135082702 1 O2N3H12C14 A2B3C12D14 9.62 6.72 0.0 0.0 0
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409916 135082703 1 O2N3H15C20 A2B3C15D20 20.09 4.38 -8.99 -1.51 1
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409917 135082704 1 O2N3H16C20 A2B3C16D20 30.71 8.35 0.0 0.0 0
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409918 135082705 1 O2N3H13C19 A2B3C13D19 26.16 5.68 -9.12 -1.64 1
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409919 135082706 1 O2N3H14C19 A2B3C14D19 39.52 6.99 0.0 0.0 0
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409920 135082707 1 N4O16C49H58 A4B16C49D58 -442.18 9.67 -7.2 -1.18 0
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409921 135082708 1 HNPSe ABCD 120.49 3.07 0.0 0.0 0
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409922 135082709 1 OPC14H29 ABC14D29 -103.28 10.0 -8.15 2.0 0