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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408972 135081745 1 ZrCl2H18C21 AB2C18D21 245.76 6.81 -5.49 -4.07 0
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408973 135081746 3 H6C7 A6B7 111.28 0.55 -8.86 -0.68 -1
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408975 135081748 1 ClNOC24H32 ABCD24E32 -47.06 5.2 -8.22 -0.82 0
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408976 135081749 1 ZrCl2C29H34 AB2C29D34 9.33 4.1 -7.75 -1.98 0
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408977 135081750 1 C29H34 A29B34 73.03 1.53 -8.61 -0.52 -1
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408978 135081751 1 FNNiOPC48H52 ABCDEF48G52 171.6 1.94 0.0 0.0 0
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408979 135081752 1 FNOC24H32 ABCD24E32 -68.62 4.15 -8.18 -0.68 0
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408980 135081753 1 ZrCl2H22C28 AB2C22D28 76.19 4.2 -7.85 -2.41 0
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408981 135081754 2 H11C14 A11B14 145.76 0.77 -8.91 -0.3 0
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408982 135081755 1 ZrCl2C26H28 AB2C26D28 -3.46 3.32 -6.37 -2.11 0
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408983 135081756 2 C13H14 A13B14 64.87 1.06 -8.36 -0.48 0
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408984 135081757 1 BNPtS2P3O5F10C39H39 ABCD2E3F5G10H39I39 -614.72 6.32 -8.6 -2.02 0
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408985 135081758 1 ZrCl2C30H36 AB2C30D36 -32.88 4.01 -6.81 -2.34 0
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408986 135081759 6 C5H6 A5B6 86.4 2.01 -7.26 -1.47 0
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408987 135081760 1 ZrCl2H28C34 AB2C28D34 223.04 5.89 -6.87 -1.69 0
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408988 135081761 1 TiC32H52 AB32C52 136.71 6.68 -7.78 -3.26 0
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408989 135081762 1 PtP2C18H38 AB2C18D38 7.69 2.52 -8.31 -0.43 0
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408991 135081764 1 HN2C3F6 AB2C3D6 -260.41 1.96 0.0 0.0 1
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408994 135081767 1 PN2C7H18 AB2C7D18 3.27 2.56 0.0 0.0 -1
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408995 135081768 1 PH2O5Cl12C19 AB2C5D12E19 -234.44 4.81 0.0 0.0 0
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408996 135081769 1 FeP5C10H20 AB5C10D20 -257.51 3.23 0.0 0.0 0
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408997 135081770 1 SbC2H2N2Cl7 AB2C2D2E7 -43.93 14.1 -11.46 -3.46 1
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408998 135081771 1 ClC2H2N2 AB2C2D2 63.93 1.63 0.0 0.0 0
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408999 135081772 1 SbN2C6Cl7H10 AB2C6D7E10 -79.54 15.64 -11.3 -3.22 0
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409000 135081773 1 OSbN2Cl6C7H13 ABC2D6E7F13 -125.11 15.24 -11.29 -2.43 1
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409001 135081774 1 ON2C7H13 AB2C7D13 3.05 4.53 0.0 0.0 0
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409002 135081775 1 OSbN2Cl7H8C9 ABC2D7E8F9 -69.83 19.19 -10.26 -3.27 1
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409003 135081776 1 ClON2H8C9 ABC2D8E9 42.78 4.24 0.0 0.0 0
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409004 135081777 1 ClNSnC8H14 ABCD8E14 -7.55 4.28 -10.06 -0.12 0
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409005 135081778 1 NO3C11H20 AB3C11D20 -128.71 4.03 0.0 0.0 0
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409006 135081779 1 NO4C23H34 AB4C23D34 -199.84 2.26 0.0 0.0 0
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409007 135081780 1 LiN2O2C11H19 AB2C2D11E19 -73.05 6.73 -7.45 2.02 0
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409008 135081781 1 N2O2C11H20 A2B2C11D20 -64.8 1.88 -7.83 1.44 0
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409009 135081782 1 S5H6C9 A5B6C9 63.01 2.99 -8.38 -1.83 0
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409010 135081784 1 FO4N5C36H46 AB4C5D36E46 -176.27 5.65 -9.13 -0.2 0
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409011 135081785 1 FO4N5C36H46 AB4C5D36E46 -176.96 3.63 -9.12 -0.19 0
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409012 135081786 1 O4N5C36H47 A4B5C36D47 -130.23 6.17 -9.16 -0.18 0
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409013 135081787 1 FO4N5C36H46 AB4C5D36E46 -177.69 5.48 -9.06 -0.14 0
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409014 135081788 1 FO4N5C36H46 AB4C5D36E46 -180.89 4.91 -9.05 -0.17 0
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409015 135081789 1 BrO3C17H23 AB3C17D23 -78.59 2.94 -9.66 -0.18 0
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409016 135081790 1 ClO9C21H25 AB9C21D25 -373.83 7.73 -10.38 -1.17 0
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409017 135081791 1 PN3H4C5 AB3C4D5 57.35 2.31 -9.4 -1.19 -1
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409018 135081792 1 AsC2H2P2 AB2C2D2 107.14 1.0 0.0 0.0 -1
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409019 135081793 1 AsC2H2P2 AB2C2D2 91.58 1.9 0.0 0.0 0
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409020 135081794 1 ClNO5H28C30 ABC5D28E30 60.94 10.08 -8.45 -2.08 1
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409021 135081795 1 NOH28C30 ABC28D30 65.01 3.28 0.0 0.0 0
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409022 135081796 1 NOPSC18H26 ABCDE18F26 -50.72 16.58 -8.08 -1.22 0
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409023 135081797 1 O5Br6C18H18 A5B6C18D18 -155.5 6.56 -10.28 -2.0 0
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409024 135081798 1 CuN2O2Sb2F12C17H30 AB2C2D2E12F17G30 -673.39 25.35 0.0 0.0 0
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409027 135081801 1 OS2H20C24 AB2C20D24 36.77 5.48 -8.5 -1.15 -2
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409030 135081804 1 AuBrH5C8 ABC5D8 182.24 2.32 0.0 0.0 -1
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409031 135081805 1 AuIH5C8 ABC5D8 214.89 3.88 0.0 0.0 -1
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409032 135081806 1 AuH2C4 AB2C4 342.6 0.34 0.0 0.0 0
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409033 135081807 1 N5O6C15H21 A5B6C15D21 -112.09 10.29 -10.15 -1.34 0
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409034 135081808 1 N5O6C14H17 A5B6C14D17 -100.65 9.05 -10.25 -1.44 0
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409035 135081809 1 O7N10C27H40 A7B10C27D40 -183.78 1.27 -9.18 -0.72 0
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409036 135081810 1 N2F3O4H13C14 A2B3C4D13E14 -238.0 7.4 -9.68 -1.18 1
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409037 135081811 1 N2O2C12H13 A2B2C12D13 -8.41 4.63 0.0 0.0 0
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409038 135081812 1 Na2S2N3O8H13C20 A2B2C3D8E13F20 -307.13 5.78 -7.78 -1.44 0
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409039 135081813 1 S2N3O8H15C20 A2B3C8D15E20 -212.68 13.02 -9.03 -2.15 0
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409040 135081814 1 Na3S3N5O12H18C30 A3B3C5D12E18F30 -352.08 59.75 -7.34 -2.6 0
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409041 135081815 1 S3N5O12H21C30 A3B5C12D21E30 -301.36 16.81 -8.85 -2.28 0
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409042 135081816 1 Na4S4N7O16H23C40 A4B4C7D16E23F40 -581.07 77.45 -7.37 -2.86 0
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409043 135081817 1 S4N7O16H27C40 A4B7C16D27E40 -380.47 19.81 -9.03 -2.4 0
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409045 135081819 1 S5N9O20H33C50 A5B9C20D33E50 -465.85 25.71 -8.99 -2.4 0
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409046 135081820 1 OSN4H20C21 ABC4D20E21 121.69 5.36 -8.4 -2.0 0
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409047 135081821 1 P2O4C37H40 A2B4C37D40 -92.43 5.42 -8.26 0.3 -1
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409048 135081822 1 PRhF6C17H24 ABC6D17E24 -392.1 9.9 -10.01 -3.89 0
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409049 135081823 1 C9H13 A9B13 22.52 0.15 0.0 0.0 0
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409050 135081824 1 BC13H23 AB13C23 47.39 1.15 -7.79 0.8 0
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409051 135081825 1 BS2C13H21 AB2C13D21 42.71 2.92 -7.28 -0.12 0
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409053 135081827 1 IN3S4O21C55H74 AB3C4D21E55F74 -638.1 5.78 -7.83 -1.26 0
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409054 135081828 2 O2C9H10 A2B9C10 -108.85 0.12 -8.24 -1.74 0
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409055 135081829 2 O3C17H23 A3B17C23 -246.36 6.49 -9.19 -1.38 0
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409056 135081830 1 OC10H12 AB10C12 -4.03 2.23 -8.76 0.42 0
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409058 135081832 1 SO6C12H16 AB6C12D16 -226.32 3.88 -9.08 -0.67 0
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409059 135081833 1 BC19H35 AB19C35 -86.62 0.09 -9.29 0.69 0
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409060 135081834 1 BC15H29 AB15C29 -74.48 0.06 -9.31 0.67 0
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409061 135081835 1 NO2S2C15H15 AB2C2D15E15 -16.81 8.54 -8.19 -1.76 0
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409062 135081836 1 PH17C27 AB17C27 127.68 1.08 -8.31 -1.12 0
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409063 135081837 2 PH14C20 AB14C20 191.88 2.7 -8.75 -0.66 0
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409064 135081838 1 PtSI2C8H14 ABC2D8E14 78.13 1.78 -9.07 -3.83 0
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409066 135081840 1 ClPtSnN2O4H35C38 ABCD2E4F35G38 55.57 14.07 -7.61 -1.73 0
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409068 135081842 1 PtSeBr2C8H14 ABC2D8E14 75.09 6.22 -9.08 -2.58 0
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409069 135081843 1 BC13H17 AB13C17 13.28 1.2 -8.73 0.1 1
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409070 135081845 1 KC7H13 AB7C13 7.96 9.21 -5.3 0.3 0
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409071 135081846 1 C7H13 A7B13 7.01 0.47 0.0 0.0 0
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409072 135081847 1 O2C15H28 A2B15C28 -133.82 1.9 -9.4 0.85 0
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409073 135081848 1 OK2H6C7 AB2C6D7 -34.98 5.51 -4.1 0.67 0
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409074 135081849 1 KSiC10H15 ABC10D15 -25.62 9.7 -5.61 0.14 0
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409075 135081850 1 KNC9H12 ABC9D12 15.78 8.84 -5.47 0.13 0
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409076 135081851 1 KC9H11 AB9C11 3.87 10.01 -5.64 0.04 0
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409077 135081852 1 KC10H13 AB10C13 -1.34 9.81 -5.44 0.06 0
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409078 135081853 1 OK2C9H10 AB2C9D10 -22.05 15.4 -4.92 0.51 0
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409079 135081854 1 NK2C7H7 AB2C7D7 -3.78 2.0 -5.24 0.86 1
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409080 135081855 1 KC6H9 AB6C9 26.44 8.98 -5.56 0.25 1
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409081 135081856 1 KC9H17 AB9C17 -4.01 9.43 -5.34 0.26 1
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409082 135081857 1 KC10H19 AB10C19 -10.03 9.71 -5.4 0.24 1
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409083 135081858 1 KC11H21 AB11C21 -15.03 9.77 -5.41 0.24 0
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409084 135081859 1 NK2O3C12H15 AB2C3D12E15 -133.65 19.9 -5.56 -0.03 0