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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127061 50989250 1 NSO2H13C14 ABC2D13E14 -31.91 4.84 -8.86 -1.17 0
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127062 50989251 1 OSN2C14H16 ABC2D14E16 3.03 1.79 -8.51 -0.55 0
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127063 50989355 2 NOF6H8C11 ABC6D8E11 -629.44 4.61 -9.67 -0.54 1
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127064 50989473 1 ON4C11H11 AB4C11D11 78.15 4.71 0.0 0.0 0
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127065 50989532 2 O2N3C10H15 A2B3C10D15 -149.58 3.85 -9.37 -0.04 0
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127066 50989533 1 NO2F3C6H8 AB2C3D6E8 -240.21 5.25 -10.76 0.49 0
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127067 50989593 1 OSN2C5H8 ABC2D5E8 -21.59 4.73 -8.95 -0.11 0
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127068 50989615 1 ClSN2C8H10 ABC2D8E10 18.74 7.27 0.0 0.0 0
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127069 50989620 1 ON3C7H17 AB3C7D17 -45.31 2.26 -8.79 2.07 0
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127070 50989621 2 NOC7H9 ABC7D9 -37.25 2.61 -8.88 0.22 0
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127071 50989625 1 NF3O3C13H14 AB3C3D13E14 -255.85 2.94 -9.61 0.12 0
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127072 50989692 1 N2O2F3H5C7 A2B2C3D5E7 -216.46 4.45 -10.2 -1.39 0
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127073 50989713 1 NOF3C11H16 ABC3D11E16 -233.31 5.62 -9.77 1.5 0
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127074 50989746 1 ON2C12H12 AB2C12D12 0.11 3.67 -9.02 -0.48 0
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127075 50989747 1 ON2C10H14 AB2C10D14 -42.92 4.1 -8.67 -0.18 0
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127076 50989810 1 ON3C7H13 AB3C7D13 -21.06 4.98 -8.85 -0.1 -2
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127077 50989963 1 AsC2Na2H5O6 AB2C2D5E6 -352.74 1.12 -9.22 0.56 0
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127078 50990100 1 O6C21H32 A6B21C32 -307.81 3.17 -10.14 -0.22 0
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127079 50990203 1 O4C15H20 A4B15C20 -129.5 6.46 -9.87 -0.46 0
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127080 50990303 1 NOC15H19 ABC15D19 -24.47 2.53 -8.96 0.32 1
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127081 50990349 1 N3O4C7H8 A3B4C7D8 -95.48 3.38 0.0 0.0 0
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127082 50990350 1 SN2O3C13H14 AB2C3D13E14 -39.37 4.08 -8.96 -0.91 0
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127083 50990351 1 O2C27H44 A2B27C44 -157.82 4.61 -9.56 -0.01 0
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127084 50990369 1 O6C25H36 A6B25C36 -273.77 4.58 -10.35 -0.93 0
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127085 50990398 1 N3O3C13H15 A3B3C13D15 -44.09 3.65 -8.89 -0.48 0
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127086 50990407 1 O8C29H44 A8B29C44 -372.52 5.96 -9.81 -0.56 0
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127087 50990415 2 O2C6H7 A2B6C7 -156.85 2.58 -10.35 0.06 0
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127088 50990416 1 O7C27H44 A7B27C44 -369.14 9.67 -10.03 0.19 0
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127089 50990490 1 ClN2O2H5C8 AB2C2D5E8 -36.63 7.78 -9.55 -1.46 0
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127090 50990491 1 BrFNO2H3C6 ABCD2E3F6 -85.55 3.64 -10.72 -1.7 0
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127091 50990492 1 BrISN2O4H8C14 ABCD2E4F8G14 -53.01 9.68 -9.54 -1.48 0
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127092 50990493 1 ClO2N3H4F6C11 AB2C3D4E6F11 -315.25 4.77 -10.71 -2.36 0
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127093 50990494 1 Cl2O2F3N3H4C10 A2B2C3D3E4F10 -162.84 7.18 -10.31 -2.0 0
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127094 50990496 1 ClO2F3N3H5C10 AB2C3D3E5F10 -156.06 8.23 -10.44 -1.69 0
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127095 50990585 1 O9C13H14 A9B13C14 -357.96 5.1 -9.37 -1.17 0
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127096 50990624 1 NOF3C5H8 ABC3D5E8 -211.08 2.97 -9.83 1.15 0
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127097 50990625 1 O2F3C5H7 A2B3C5D7 -252.83 2.73 -10.38 0.94 0
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127098 50990626 1 NOC17H25 ABC17D25 -56.86 1.22 -8.72 0.55 0
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127099 50990627 1 FO3N4H19C25 AB3C4D19E25 22.28 4.78 -8.26 -1.1 0
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127100 50990628 1 HNOCl2I2C5 ABCD2E2F5 23.68 3.56 -9.49 -2.06 0
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127101 50990644 1 ClON2H5C8 ABC2D5E8 11.58 8.74 -9.14 -1.09 0
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127102 50990645 1 NO3C7H7 AB3C7D7 -78.38 4.42 -8.77 -0.41 0
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127103 50990646 1 O3C10H10 A3B10C10 -110.99 4.69 -9.86 -0.22 0
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127104 50990654 1 ON2F3C9H9 AB2C3D9E9 -161.65 3.69 -9.38 -0.79 0
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127105 50990771 1 O10C25H34 A10B25C34 -433.85 5.52 -9.9 -0.6 0
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127106 50990772 1 O9C22H28 A9B22C28 -367.15 2.15 -9.84 -0.47 0
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127107 50990793 1 NO12H31C32 AB12C31D32 -438.73 7.99 -9.15 -0.99 0
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127108 50990999 1 ON5H25C28 AB5C25D28 105.3 4.36 -8.31 -0.69 0
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127109 50991000 1 O4N5C34H35 A4B5C34D35 -44.82 2.48 -8.51 -0.98 0
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127110 50991104 1 O2N6C27H28 A2B6C27D28 74.93 4.03 -8.38 -1.06 0
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127111 50991113 1 N3O3H17C19 A3B3C17D19 -38.84 6.94 -8.98 -1.39 0
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127112 50991114 1 N3O3H17C19 A3B3C17D19 -41.92 6.28 -9.02 -1.42 0
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127113 50991121 1 SN5O5C34H39 AB5C5D34E39 -103.78 10.49 -9.26 -0.94 0
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127114 50991147 1 N3O4C22H23 A3B4C22D23 -76.67 7.67 -9.27 -0.89 0
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127115 50991148 1 F3O3N5C27H30 A3B3C5D27E30 -233.16 8.92 -9.41 -1.32 0
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127116 50991149 1 F3O3N5C28H32 A3B3C5D28E32 -235.94 9.66 -9.35 -1.26 0
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127117 50991209 1 N3O3C20H21 A3B3C20D21 -47.5 7.44 -8.86 -1.32 0
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127118 50991210 1 O2N3H21C24 A2B3C21D24 28.84 6.43 -9.06 -1.4 0
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127119 50991211 1 O2N3C20H21 A2B3C20D21 -9.33 8.0 -8.86 -1.36 0
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127120 50991245 1 FO4N5C26H30 AB4C5D26E30 -138.03 8.35 -9.02 -1.16 0
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127121 50991483 1 ON8H22C27 AB8C22D27 158.27 5.46 -8.85 -2.29 0
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127122 50991533 1 O9N13C46H71 A9B13C46D71 -360.97 9.52 -8.4 -0.35 0
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127123 50991534 1 OF2N6H14C18 AB2C6D14E18 71.15 0.88 -9.18 -1.79 0
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127124 50991619 1 ClO15N17C83H110 AB15C17D83E110 -515.96 5.96 -8.74 -0.83 0
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127126 50991872 1 SCl2O4N5C27H37 AB2C4D5E27F37 -158.12 10.76 -8.94 -0.59 0
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127127 50991873 1 SCl2O4N5C27H37 AB2C4D5E27F37 -164.51 3.69 -8.78 -0.68 0
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127128 50991874 1 SCl2O4N5C23H29 AB2C4D5E23F29 -140.09 7.49 -8.92 -0.91 0
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127129 50991939 5 O5H12C15 A5B12C15 -726.19 5.59 -8.85 -1.19 0
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127130 50991976 1 FO4N5C25H28 AB4C5D25E28 -134.95 7.9 -9.15 -1.1 0
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127131 50992004 1 Cl2O2N6H26C33 A2B2C6D26E33 57.31 6.09 -8.31 -0.69 0
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127132 50992005 1 FO2N6H27C33 AB2C6D27E33 28.37 6.42 -8.38 -0.75 0
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127133 50992006 1 O2N6C33H34 A2B6C33D34 23.92 3.2 -8.15 -0.55 0
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127135 50992166 2 PO4C5H12 AB4C5D12 -521.75 4.81 -10.78 0.14 0
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127136 50992191 1 O4N6H18C19 A4B6C18D19 -41.54 11.55 -8.95 -1.2 0
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127137 50992192 1 O4N5H25C26 A4B5C25D26 -38.7 12.54 -8.51 -0.9 0
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127138 50992193 1 O4N6H16C17 A4B6C16D17 -54.56 12.47 -9.07 -1.31 0
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127139 50992217 1 N3O3F4H15C17 A3B3C4D15E17 -254.26 3.86 -9.05 -1.01 0
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127140 50992218 1 F2O2N4H16C17 A2B2C4D16E17 -97.53 7.01 -8.87 -1.23 0
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127141 50992264 1 NP2O7C12H29 AB2C7D12E29 -489.54 4.51 -10.88 0.24 0
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127142 50992427 1 N3O3C20H29 A3B3C20D29 -83.74 3.15 -8.91 -1.04 0
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127143 50992428 1 N5O5C26H31 A5B5C26D31 -137.57 10.99 -8.96 -1.18 0
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127144 50992650 1 PSN2O5H9C11 ABC2D5E9F11 -156.04 6.53 -8.8 -1.47 0
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127145 50992662 1 NSI3O5H6C10 ABC3D5E6F10 -79.79 3.57 -8.87 -1.75 0
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127147 50992737 1 ClN2O7C28H31 AB2C7D28E31 -261.84 5.45 -7.94 -0.18 0
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127148 50992846 1 BrNSiO3C27H36 ABCD3E27F36 -139.56 1.22 -9.0 -0.55 0
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127149 50992868 1 N3O3F6C29H33 A3B3C6D29E33 -433.76 8.55 -8.44 -0.88 0
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127150 50992952 1 O2N3F6H23C28 A2B3C6D23E28 -122.92 7.27 -8.25 -1.03 0
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127151 50993008 1 ClNO7C19H22 ABC7D19E22 -301.89 4.85 -8.38 0.06 0
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127152 50993025 1 SO5C15H22 AB5C15D22 -192.84 6.45 -9.71 -0.79 0
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127153 50993118 1 OB4F6N9H63C85 AB4C6D9E63F85 -339.56 1.27 -8.25 -1.95 0
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127154 50993119 1 BrSnN2C25H43 ABC2D25E43 52.42 51.86 -5.35 -3.08 1
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127155 50993120 1 SnN2C25H43 AB2C25D43 17.31 0.55 0.0 0.0 0
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127156 50993121 1 BrClSnN2C19H38 ABCD2E19F38 -20.58 37.04 -5.58 -2.72 0
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127157 50993127 1 BrOSnN2C26H45 ABCD2E26F45 1.25 30.68 -5.95 -2.4 1
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127158 50993128 1 OSnN2C26H45 ABC2D26E45 -24.14 1.2 0.0 0.0 0
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127159 50993129 6 OC3H4 AB3C4 -245.8 6.11 -9.93 -0.69 0
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127160 50993130 1 NSiO9C30H41 ABC9D30E41 -406.03 4.37 -8.87 -0.64 0
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127161 50993131 1 O2C15H22 A2B15C22 -77.86 0.38 -9.38 0.98 0
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127162 50993132 1 O3C15H20 A3B15C20 -105.57 4.64 -9.87 -0.14 0
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127163 50993133 1 O3C16H22 A3B16C22 -111.69 4.46 -9.78 -0.18 0