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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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358135 127295680 1 N3O3C22H33 A3B3C22D33 -128.14 3.64 -9.12 -0.14 0
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358136 127295681 1 ClO2N3C21H30 AB2C3D21E30 -102.62 2.44 -9.32 -0.4 0
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358137 127295682 1 ClO2N3C21H30 AB2C3D21E30 -103.71 3.5 -9.44 -0.48 0
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358138 127295683 1 O2N3C23H35 A2B3C23D35 -105.56 3.8 -9.31 0.11 0
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358139 127295684 1 N3O3C20H29 A3B3C20D29 -114.34 5.59 -8.65 0.09 0
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358140 127295685 1 FO2N3C21H30 AB2C3D21E30 -143.31 3.39 -9.26 -0.28 0
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358141 127295686 1 O2N3C20H35 A2B3C20D35 -138.11 5.23 -9.32 1.01 0
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358142 127295687 1 ClO2N3C21H30 AB2C3D21E30 -103.14 3.78 -9.4 -0.16 0
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358143 127295688 1 O3N5C18H33 A3B5C18D33 -166.23 2.83 -8.67 0.47 0
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358144 127295689 1 O3N5C19H35 A3B5C19D35 -163.69 3.49 -8.66 0.53 0
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358145 127295690 1 O2N3C18H31 A2B3C18D31 -106.89 3.73 -9.24 0.9 0
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358146 127295691 1 O2N4C21H38 A2B4C21D38 -132.8 3.44 -8.87 0.93 0
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358147 127295692 1 FO2N3C21H30 AB2C3D21E30 -138.38 2.85 -9.37 -0.05 0
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358148 127295693 1 O2N3C23H35 A2B3C23D35 -105.96 2.17 -9.26 0.07 0
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358149 127295694 1 O2N3C23H33 A2B3C23D33 -70.23 4.54 -9.31 0.16 0
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358150 127295695 1 N3O3C22H33 A3B3C22D33 -123.63 4.84 -8.65 0.09 0
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358151 127295696 1 O3N4C19H32 A3B4C19D32 -158.35 6.33 -9.3 0.78 0
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358152 127295697 1 N3O3C14H25 A3B3C14D25 -148.42 2.89 -9.22 0.86 0
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358153 127295698 1 N3O3C20H31 A3B3C20D31 -119.01 3.72 -8.88 0.0 0
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358154 127295699 1 ClSO2N3C18H26 ABC2D3E18F26 -84.15 3.06 -9.43 -0.67 0
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358155 127295700 1 O3N5C19H35 A3B5C19D35 -180.75 7.26 -9.09 0.71 0
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358156 127295701 1 N3O3C14H27 A3B3C14D27 -142.82 2.34 -9.05 1.27 0
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358157 127295702 1 O2N3C23H35 A2B3C23D35 -104.12 1.48 -9.28 0.06 0
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358158 127295703 1 ON6C18H30 AB6C18D30 -26.34 6.71 -9.0 0.39 0
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358159 127295704 1 O2N5C16H27 A2B5C16D27 -70.34 5.87 -9.38 0.23 0
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358160 127295705 1 ON6C19H32 AB6C19D32 -31.83 6.31 -8.59 0.51 0
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358161 127295706 1 O2N5C19H31 A2B5C19D31 -66.46 5.44 -8.39 0.06 0
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358162 127295707 1 O2N4C17H24 A2B4C17D24 -49.5 3.52 -8.99 -0.58 0
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358163 127295708 1 O2N3C22H29 A2B3C22D29 -45.52 5.52 -9.38 -0.36 0
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358164 127295709 1 SO3N4C17H32 AB3C4D17E32 -156.74 8.47 -8.96 0.46 0
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358165 127295710 1 SO2N4C16H24 AB2C4D16E24 -63.14 4.98 -9.44 -0.58 0
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358166 127295711 1 O2N4C19H32 A2B4C19D32 -93.87 5.46 -8.98 0.84 0
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358167 127295712 1 O2N4C19H34 A2B4C19D34 -125.89 4.93 -8.97 1.06 0
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358168 127295713 1 O3N4C18H28 A3B4C18D28 -108.98 4.16 -8.57 0.04 0
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358169 127295714 1 O2N4C13H22 A2B4C13D22 -59.51 4.52 -9.38 0.41 0
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358170 127295715 1 ON5C19H31 AB5C19D31 -44.0 4.11 -8.66 1.05 0
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358171 127295716 1 ClN3O3C20H30 AB3C3D20E30 -123.77 5.78 -8.62 -0.26 0
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358172 127295717 1 O2N3C23H35 A2B3C23D35 -100.54 3.23 -9.32 0.12 0
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358173 127295718 1 O4N5C17H31 A4B5C17D31 -189.7 3.68 -8.94 0.64 0
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358174 127295719 1 N3O3C15H29 A3B3C15D29 -148.34 3.75 -8.96 1.23 0
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358175 127295720 1 ClSO2N3C19H28 ABC2D3E19F28 -91.48 3.91 -9.42 -0.87 0
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358176 127295721 2 ON2C8H14 AB2C8D14 -82.04 3.85 -8.77 1.04 0
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358177 127295722 1 O2N5C18H33 A2B5C18D33 -112.35 6.63 -8.96 1.15 0
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358178 127295723 1 ClN3O3C19H26 AB3C3D19E26 -113.77 5.28 -8.79 -0.32 0
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358179 127295724 1 FN3O3C21H30 AB3C3D21E30 -172.29 4.9 -9.14 0.05 0
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358180 127295725 1 O2N3C18H31 A2B3C18D31 -104.76 5.44 -9.3 0.99 0
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358181 127295726 1 SO2N3C20H31 AB2C3D20E31 -97.68 4.1 -9.22 -0.4 0
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358182 127295727 1 O4N5C17H31 A4B5C17D31 -193.53 3.31 -8.62 0.45 0
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358183 127295728 1 N3O3C15H29 A3B3C15D29 -150.38 5.08 -8.74 1.24 0
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358184 127295729 1 ON6C15H26 AB6C15D26 -12.18 3.19 -8.87 0.08 0