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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147071 53786674 3 O3H8C9 A3B8C9 -304.21 5.53 -10.12 -0.84 0
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147072 53786678 1 O3C23H34 A3B23C34 -170.79 4.75 -9.29 0.74 0
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147073 53786681 1 SN3O3C27H55 AB3C3D27E55 -233.5 7.78 -9.03 0.17 0
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147074 53786689 1 FN2O3C37H47 AB2C3D37E47 -111.06 2.89 -8.5 -0.27 0
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147075 53786691 1 O4N6C19H24 A4B6C19D24 -78.87 3.74 -8.2 -0.41 0
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147076 53786692 1 N3O6C38H45 A3B6C38D45 -200.53 8.04 -8.74 0.11 1
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147077 53786710 1 N3O4C28H38 A3B4C28D38 -114.55 3.51 0.0 0.0 0
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147078 53786711 1 SiO2H34C42 AB2C34D42 76.14 2.16 -8.47 -0.81 0
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147079 53786717 1 N3O7C35H49 A3B7C35D49 -319.52 7.86 -8.85 -0.23 0
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147080 53786719 1 NO4H11C14 AB4C11D14 -77.1 3.05 -9.81 -0.78 0
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147081 53786720 1 F3N3O6H22C25 A3B3C6D22E25 -278.33 1.62 -8.98 -0.87 1
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147082 53786722 1 N3O4C11H18 A3B4C11D18 -64.49 8.67 0.0 0.0 0
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147083 53786728 1 NO5C17H19 AB5C17D19 -185.63 7.24 -9.26 -0.26 0
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147084 53786731 1 ClNSO4H6C9 ABCD4E6F9 -149.58 5.65 -9.65 -1.66 0
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147085 53786732 1 O2N3C10H11 A2B3C10D11 -18.27 2.85 -8.51 -0.39 0
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147086 53786739 1 O4H16C17 A4B16C17 -105.12 2.43 -8.82 -0.71 0
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147087 53786740 1 NO3C14H17 AB3C14D17 -97.08 5.5 -8.11 -0.54 0
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147088 53786741 1 N3O4C23H27 A3B4C23D27 -103.66 6.0 -9.24 -0.85 0
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147089 53786742 1 ON2C14H20 AB2C14D20 -37.53 3.08 -8.97 0.4 0
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147090 53786743 1 ClO3H21C23 AB3C21D23 -69.1 3.55 -8.31 -0.66 0
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147091 53786744 1 ON3C23H33 AB3C23D33 -1.07 1.72 -8.58 0.13 0
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147092 53786745 1 F3N4O8H41C43 A3B4C8D41E43 -351.81 8.51 -8.95 -0.8 0
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147093 53786746 2 N2O2C7H13 A2B2C7D13 -183.32 5.75 -9.92 -0.22 0
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147094 53786747 1 NO2C17H23 AB2C17D23 -80.11 4.61 -8.67 0.34 0
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147095 53786748 1 SN3O5C29H35 AB3C5D29E35 -121.95 10.33 -8.62 -0.59 0
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147096 53786749 1 ON2C15H20 AB2C15D20 -19.01 2.58 -7.57 0.1 0
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147097 53786750 1 O2N3C5H13 A2B3C5D13 -79.58 4.31 -9.49 0.5 0
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147098 53786751 1 O4C11H14 A4B11C14 -133.99 6.04 -10.82 -0.14 0
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147099 53786752 1 ClN3C11H16 AB3C11D16 30.76 6.33 -8.68 -0.29 0
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147100 53786753 1 BrN3O10H28C34 AB3C10D28E34 -326.77 5.99 -9.39 -0.96 0
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147101 53786754 2 O2H7C11 A2B7C11 -78.86 6.87 -9.18 -1.34 1
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147102 53786755 1 SN3O3C26H38 AB3C3D26E38 -135.15 3.84 0.0 0.0 0
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147103 53786756 1 NO3C6H11 AB3C6D11 -153.8 7.51 -10.77 0.31 0
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147104 53786757 1 PO3C13H19 AB3C13D19 -162.91 2.04 -9.46 0.19 0
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147105 53786758 1 OSN2C7H14 ABC2D7E14 -33.63 2.17 -8.45 -0.34 0
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147106 53786759 1 ON2C12H14 AB2C12D14 -2.73 3.98 -9.14 -0.35 0
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147107 53786760 1 N3O7C33H51 A3B7C33D51 -351.76 6.46 -9.56 0.16 0
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147108 53786761 1 NO2C25H29 AB2C25D29 -43.81 2.85 -8.45 -0.49 0
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147109 53786762 1 ON3C10H21 AB3C10D21 -61.98 4.03 -8.77 1.32 0
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147110 53786763 1 OC13H16 AB13C16 -15.03 3.75 -9.55 -0.55 0
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147111 53786764 1 O5C23H42 A5B23C42 -287.57 4.29 -9.54 0.47 0
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147112 53786765 1 ON3H31C40 AB3C31D40 139.52 3.7 -8.03 -0.5 0
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147113 53786766 1 O2N8C27H28 A2B8C27D28 76.27 3.28 -8.44 -0.66 0
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147114 53786767 1 N2S2O6C27H32 A2B2C6D27E32 -180.23 11.0 -9.28 -1.01 0
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147115 53786768 1 S2F3N4O4H29C35 A2B3C4D4E29F35 -183.5 9.86 -9.01 -1.35 0
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147116 53786769 1 NO3C16H27 AB3C16D27 -158.87 5.93 -9.25 0.6 0
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147117 53786770 1 N2O3C23H28 A2B3C23D28 -99.73 6.62 -8.95 -0.25 1
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147118 53786771 1 NOH14C15 ABC14D15 49.61 4.07 0.0 0.0 0
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147119 53786772 1 O7C23H32 A7B23C32 -202.36 7.19 -9.58 -0.19 0
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147120 53786773 2 NO2C7H12 AB2C7D12 -152.32 2.85 -9.31 -1.08 0
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147121 53786774 2 SO3N4C8H16 AB3C4D8E16 -164.0 9.38 -9.28 -0.67 0
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147122 53786775 1 N2O6C17H22 A2B6C17D22 -224.29 2.96 -8.97 -0.49 0
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147123 53786776 1 NCl2H21C23 AB2C21D23 62.06 2.71 -8.95 -0.45 0
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147124 53786777 1 O4C29H50 A4B29C50 -278.19 3.28 -10.06 0.94 0
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147125 53786778 2 NO2H10C12 AB2C10D12 -55.23 4.81 -9.79 -1.25 0
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147126 53786779 2 NC6H10 AB6C10 -11.11 0.83 -8.23 0.74 0
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147127 53786780 1 NOH13C15 ABC13D15 28.5 2.0 -8.68 -0.79 0
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147128 53786781 1 OSC15H18 ABC15D18 16.88 3.38 -9.12 -0.14 0
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147129 53786782 1 NO2C10H21 AB2C10D21 -126.89 1.94 -9.68 0.67 0
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147130 53786783 1 N3O3C12H23 A3B3C12D23 -165.68 3.24 -9.56 0.57 1
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147131 53786784 1 O2N6C20H31 A2B6C20D31 -21.86 8.37 0.0 0.0 0
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147132 53786785 1 N2O3C17H18 A2B3C17D18 -70.29 3.01 -9.46 -0.55 0
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147133 53786786 2 NO3H8C9 AB3C8D9 -203.06 8.86 -9.28 -1.38 0
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147134 53786787 1 NO5H17C22 AB5C17D22 -102.25 7.19 -9.27 -1.31 0
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147135 53786788 1 NO6C17H23 AB6C17D23 -260.46 3.65 -9.76 -0.21 0
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147136 53786789 1 NO2C11H25 AB2C11D25 -124.66 2.82 -8.69 2.62 0
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147137 53786790 1 O3C10H18 A3B10C18 -151.0 7.54 -10.52 -0.19 0
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147138 53786791 1 O3C10H18 A3B10C18 -152.59 5.27 -10.42 -0.13 0
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147139 53786792 1 N2C7H14 A2B7C14 19.03 2.68 -8.53 1.25 0
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147140 53786793 1 NSC19H25 ABC19D25 17.61 2.1 -8.2 0.13 0
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147141 53786794 1 O8C25H32 A8B25C32 -354.74 1.87 -9.9 -0.84 0
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147142 53786795 1 S2N7O16H31C36 A2B7C16D31E36 -489.37 8.27 -9.19 -1.5 0
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147143 53786796 1 NO4C8H13 AB4C8D13 -175.88 0.66 -9.94 -0.08 0
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147144 53786797 1 ClSiO5C14H27 ABC5D14E27 -286.76 5.31 -9.26 -0.07 0
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147145 53786798 2 OC5H9 AB5C9 -99.84 3.97 -9.51 0.69 0
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147146 53786799 1 BrO2C9H17 AB2C9D17 -123.21 1.94 -10.52 -0.08 0
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147147 53786800 1 O2C11H16 A2B11C16 -60.53 5.77 -9.61 0.71 0
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147148 53786801 2 NC6H6 AB6C6 53.62 4.26 -9.56 -0.66 0
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147149 53786802 1 ClO2H7C9 AB2C7D9 -36.34 3.92 -9.7 -1.62 0
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147150 53786803 1 NOF2C12H13 ABC2D12E13 -109.78 1.44 -9.71 -0.6 0
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147151 53786804 2 NOC10H12 ABC10D12 -69.6 4.66 -8.87 -0.02 0
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147152 53786805 1 ClNF3O5H25C27 ABC3D5E25F27 -325.46 1.09 -9.86 -1.08 0
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147153 53786806 1 NO5C18H19 AB5C18D19 -183.97 1.21 -9.59 -1.58 0
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147154 53786807 1 NH9C13 AB9C13 70.91 2.21 -8.84 -1.2 0
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147155 53786808 1 O2N3C25H29 A2B3C25D29 -59.17 3.65 -8.76 -0.68 0
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147156 53786809 1 N3O4C16H29 A3B4C16D29 -210.52 2.03 -9.33 0.63 0
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147157 53786810 2 OC7H15 AB7C15 -156.33 2.97 -10.12 2.78 0
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147158 53786811 2 NOC10H10 ABC10D10 53.26 3.91 -9.02 -0.65 1
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147159 53786812 1 N3O3C9H16 A3B3C9D16 -75.57 5.39 0.0 0.0 0
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147160 53786813 1 NO5C20H21 AB5C20D21 -176.01 9.07 -8.91 -0.94 0
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147161 53786814 1 NSO2C24H41 ABC2D24E41 -111.43 2.42 -8.8 0.43 0
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147162 53786815 5 OC7H10 AB7C10 -237.54 5.83 -8.9 -0.57 0
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147163 53786816 1 BrO2C24H31 AB2C24D31 -106.96 1.98 -8.71 -0.22 0
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147164 53786817 1 OC21H30 AB21C30 -25.12 4.81 -8.93 -0.16 0
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147165 53786818 1 NSO4C23H29 ABC4D23E29 -123.64 4.86 -8.6 -0.37 0
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147166 53786819 1 P2C5O5H14 A2B5C5D14 -340.2 1.58 -10.46 1.05 0
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147167 53786820 1 SCl2O4H16C24 AB2C4D16E24 -90.66 5.55 -9.41 -0.74 0
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147168 53786821 1 NO7C43H43 AB7C43D43 -232.2 2.93 -8.98 -0.75 0
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147169 53786822 1 N2O3C19H22 A2B3C19D22 -46.39 2.96 -9.21 -0.06 0
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147170 53786823 1 FO5C26H43 AB5C26D43 -333.54 4.44 -9.86 0.56 0