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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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386970 134983542 2 O2C15H22 A2B15C22 -201.74 5.03 -9.37 -0.36 0
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386971 134983546 1 FeO3C11H14 AB3C11D14 80.35 0.67 -7.23 0.52 0
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386972 134983547 1 FeO4C18H18 AB4C18D18 100.97 1.68 -7.64 -0.37 0
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386973 134983548 1 OC15H18 AB15C18 -6.0 3.25 -8.98 -0.5 0
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386974 134983555 1 NO2C27H31 AB2C27D31 -8.14 2.42 -8.59 0.05 0
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386975 134983564 2 NC7H10 AB7C10 57.61 4.16 -9.94 0.47 0
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386976 134983568 1 SiC9H16 AB9C16 4.06 1.46 -8.41 0.69 0
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386977 134983570 1 H18C25 A18B25 102.56 0.65 -8.82 -0.44 0
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386978 134983574 4 H4C5 A4B5 104.87 0.07 -8.89 -0.12 0
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386979 134983576 1 NC16H19 AB16C19 108.78 3.26 -7.86 -0.24 0
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386980 134983583 2 O2C9H9 A2B9C9 -107.66 2.77 -8.63 -0.53 0
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386981 134983584 1 SC19H22 AB19C22 10.3 2.71 -8.35 0.16 0
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386982 134983589 3 OC7H8 AB7C8 -91.26 5.09 -8.91 -0.52 0
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386983 134983590 1 O2C15H16 A2B15C16 -47.52 4.27 -9.02 -0.22 0
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386984 134983596 1 O4C19H20 A4B19C20 -129.1 2.11 -8.31 -0.22 0
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386985 134983599 2 OC23H35 AB23C35 -159.66 3.45 -8.65 -1.32 0
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386986 134983615 2 OSiC16H25 ABC16D25 -172.62 2.21 -8.85 0.2 0
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386987 134983616 1 OSi2C20H36 AB2C20D36 -81.74 1.87 -8.7 -0.12 0
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386988 134983623 4 C5H7 A5B7 32.76 1.65 -8.59 0.0 0
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386989 134983626 1 INH8C9 ABC8D9 77.16 3.36 -9.22 -0.89 0
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386990 134983628 1 O2C13H20 A2B13C20 -86.79 3.95 -9.26 0.25 0
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386991 134983631 2 NC6H9 AB6C9 25.98 3.89 -9.47 -0.23 0
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386992 134983633 1 O3C14H16 A3B14C16 -101.16 3.63 -10.09 -0.64 0
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386993 134983635 1 O4C17H22 A4B17C22 -164.97 1.45 -10.0 -0.52 0
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386994 134983637 1 BO3C24H35 AB3C24D35 -172.99 4.34 -9.57 -0.1 0
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386995 134983638 2 NOH13C14 ABC13D14 32.39 3.92 -7.78 -0.48 0
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386996 134983643 2 O3C15H16 A3B15C16 -159.88 2.94 -9.25 0.15 0
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386997 134983645 1 NSO4C21H29 ABC4D21E29 -147.96 6.66 -9.49 -0.66 0
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386998 134983647 1 O2C11H20 A2B11C20 -93.42 3.0 -9.7 -0.19 0
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387000 134983650 1 FeO3N4H8C10 AB3C4D8E10 125.04 8.21 -7.95 -0.7 0
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387001 134983651 1 FePO6C30H31 ABC6D30E31 -60.1 5.48 -7.81 0.11 0
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387002 134983652 1 OC10H16 AB10C16 -30.34 1.36 -8.94 0.55 0
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387003 134983654 1 O5C14H20 A5B14C20 -193.8 4.72 -9.39 0.14 0
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387004 134983661 1 O2C17H24 A2B17C24 -42.09 1.91 -8.52 0.46 0
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387005 134983662 2 OC8H14 AB8C14 -105.66 2.44 -10.05 0.19 0
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387006 134983663 1 O4H22C27 A4B22C27 -4.3 4.04 -8.89 -1.54 0
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387007 134983664 2 O3C9H10 A3B9C10 -230.47 2.2 -9.22 -0.56 0
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387008 134983666 1 BrC8H11 AB8C11 57.91 1.89 -8.97 0.02 0
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387009 134983667 1 O4H18C21 A4B18C21 -50.5 3.85 -9.32 -0.49 0
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387010 134983668 2 H15C22 A15B22 280.08 3.16 -8.22 -0.9 0
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387011 134983670 1 O5C16H18 A5B16C18 -190.2 3.46 -9.57 -1.27 0
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387012 134983677 1 SC18H20 AB18C20 20.0 2.68 -8.39 0.12 0
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387013 134983679 1 FO5H13C18 AB5C13D18 -173.32 3.43 -9.25 -1.2 0
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387014 134983680 1 NO3C26H31 AB3C26D31 -71.31 2.0 -8.28 -0.3 0
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387015 134983683 1 O2C15H20 A2B15C20 -60.58 1.78 -8.08 0.38 0
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387016 134983685 1 IH15C17 AB15C17 66.67 1.95 -8.96 -0.66 0
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387017 134983686 1 SO3H22C24 AB3C22D24 -57.6 5.58 -9.36 -0.49 0
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387018 134983689 1 O3C22H34 A3B22C34 -139.61 3.97 -8.04 -0.16 0
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387019 134983692 1 O4C23H32 A4B23C32 -171.69 3.39 -8.89 -0.2 0
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387020 134983694 1 NO5H29C30 AB5C29D30 -96.31 6.04 -8.38 -0.78 0
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387021 134983695 1 N2O5H24C27 A2B5C24D27 -23.58 6.85 -8.81 -1.44 0
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387022 134983700 3 C5H6 A5B6 11.79 0.84 -8.25 -0.07 0
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387023 134983704 1 SiO3C20H38 AB3C20D38 -235.59 1.67 -8.69 0.68 0
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387024 134983716 1 OC17H24 AB17C24 -25.29 2.19 -9.17 0.12 0
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387025 134983717 1 NSO4C14H15 ABC4D14E15 -34.53 6.26 -9.09 -1.72 0
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387026 134983727 1 Cl2N6H16C17 A2B6C16D17 111.08 6.09 -8.68 -1.16 0
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387027 134983729 1 SbN3Cl6C13H16 AB3C6D13E16 -59.81 16.85 -10.58 -1.85 0
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387028 134983736 1 FN4C6O6H11 AB4C6D6E11 -61.75 4.86 -11.13 -2.01 0
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387029 134983737 1 N2O2C5H12 A2B2C5D12 -25.11 5.46 -10.14 -0.22 0
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387030 134983738 2 NOC5H5 ABC5D5 70.98 1.21 -9.54 -0.91 0
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387031 134983743 1 BrN2O3C10H17 AB2C3D10E17 -79.94 5.86 -10.22 -0.64 0
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387032 134983744 2 N2O3C4H4 A2B3C4D4 14.78 7.32 -11.03 -2.14 0
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387033 134983746 1 BrN2C19H23 AB2C19D23 34.25 3.8 -8.44 0.13 0
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387034 134983751 1 SN3O5C31H37 AB3C5D31E37 -102.46 6.61 -8.65 -0.46 0
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387035 134983757 1 NCl2O2C14H17 AB2C2D14E17 -67.75 1.53 -9.43 -0.31 0
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387036 134983762 1 NO6C21H23 AB6C21D23 -200.81 3.38 -9.73 -0.38 0
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387037 134983764 1 NO2C22H27 AB2C22D27 -35.36 1.26 -9.28 0.2 0
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387038 134983766 1 NSO6C26H31 ABC6D26E31 -184.94 6.89 -9.57 -0.64 0
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387039 134983768 1 NCl3H12C15 AB3C12D15 60.32 1.53 -9.58 -0.42 0
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387040 134983771 1 NO2H23C24 AB2C23D24 13.06 1.62 -9.28 0.07 0
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387041 134983776 1 NSO2C23H29 ABC2D23E29 -39.63 4.8 -8.88 -0.03 0
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387042 134983777 1 NOSC21H23 ABCD21E23 41.93 0.96 -9.09 -0.18 0
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387043 134983779 1 NO4C26H27 AB4C26D27 -61.72 3.24 -9.35 -0.21 0
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387044 134983780 1 N3O8C15H19 A3B8C15D19 -266.96 2.32 -9.71 -0.6 0
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387045 134983781 1 N2O8C9H14 A2B8C9D14 -201.44 4.03 -11.52 -1.13 0
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387046 134983782 1 NO4H27C29 AB4C27D29 -0.17 5.97 -8.85 -0.43 0
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387047 134983783 1 NO2C18H25 AB2C18D25 -6.19 4.13 -9.67 -0.37 0
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387048 134983784 1 NOC6F13 ABC6D13 -633.39 0.98 -11.3 -2.58 0
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387049 134983788 1 NO3H9C11 AB3C9D11 32.14 2.55 -10.02 -1.27 0
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387050 134983790 1 N2O7C21H22 A2B7C21D22 -167.32 3.41 -9.71 -1.17 0
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387051 134983791 1 SN2O4C23H26 AB2C4D23E26 -51.68 3.24 -8.94 -0.58 0
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387052 134983792 1 SN2O5C17H22 AB2C5D17E22 -98.06 6.11 -9.6 -0.58 0
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387053 134983795 1 N2O5C21H30 A2B5C21D30 -135.5 2.86 -9.37 -0.39 0
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387054 134983797 1 NSiO7C20H33 ABC7D20E33 -251.48 6.37 -9.12 -0.8 0
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387055 134983798 1 NO4C13H17 AB4C13D17 -89.17 5.16 -9.85 -0.74 0
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387056 134983799 1 N2O3C8H16 A2B3C8D16 -76.23 7.65 -10.0 -0.39 0
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387057 134983803 1 SN2O3C15H26 AB2C3D15E26 -97.54 14.15 -9.48 -0.96 0
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387058 134983806 4 OSN2C5H10 ABC2D5E10 -87.4 3.69 -7.69 -0.7 0
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387059 134983807 1 NBr2O4C11H11 AB2C4D11E11 -90.86 4.63 -9.81 -1.04 0
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387060 134983817 1 NOSeC21H27 ABCD21E27 19.34 2.16 -8.45 -0.3 0
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387061 134983819 1 NSiO4C21H31 ABC4D21E31 -169.99 2.94 -8.94 -0.03 0
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387062 134983825 1 PC25H29 AB25C29 11.8 1.73 -8.52 0.4 0
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387063 134983826 1 PC26H31 AB26C31 6.91 1.98 -8.51 0.42 0
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387064 134983827 1 PWSi2O5C12H20 ABC2D5E12F20 -226.66 5.03 0.0 0.0 0
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387065 134983829 1 PWO5C15H17 ABC5D15E17 -155.74 5.68 -6.92 0.64 0
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387066 134983833 1 FeNPC12H15 ABCD12E15 35.18 1.95 0.0 0.0 0
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387067 134983835 1 FeNPC13H17 ABCD13E17 69.33 2.63 0.0 0.0 0
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387070 134983842 1 N3C6H11 A3B6C11 65.65 3.46 -9.76 0.09 0
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387071 134983843 1 O4N5C16H19 A4B5C16D19 -36.22 6.1 -9.51 -1.92 0
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387072 134983851 1 Br4N4O5H10C15 A4B4C5D10E15 14.76 5.88 -10.49 -1.94 1