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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137112 52152964 1 N2O5C23H26 A2B5C23D26 -117.74 16.45 -8.23 0.04 0
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137113 52153087 1 N3O4C21H23 A3B4C21D23 -71.58 3.97 -8.96 -1.28 0
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137114 52153517 1 SN2O3C22H24 AB2C3D22E24 -46.77 17.75 -8.06 -0.19 0
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137115 52153555 1 SN2O4C23H26 AB2C4D23E26 -86.72 19.6 -7.83 -0.39 0
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137116 52153610 1 SN2O5C25H30 AB2C5D25E30 -126.52 17.3 -8.05 -0.11 0
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137117 52153611 1 SN2O5C25H30 AB2C5D25E30 -134.05 3.21 -8.56 -1.1 0
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137118 52153739 1 SN2O4C25H28 AB2C4D25E28 -73.1 4.93 -8.77 -1.07 0
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137119 52153740 1 SN2O4C25H28 AB2C4D25E28 -67.7 17.63 -8.05 -0.3 0
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137120 52153787 1 FNSO3H12C16 ABCD3E12F16 -84.26 2.52 -9.14 -1.11 -1
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137121 52154116 1 NCl2O4H12C17 AB2C4D12E17 -68.34 2.78 0.0 0.0 -1
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137122 52154372 1 N3O5C21H24 A3B5C21D24 -81.26 5.54 0.0 0.0 -1
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137123 52154518 3 NO2C8H10 AB2C8D10 -157.33 5.96 0.0 0.0 0
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137124 52155281 1 FNO5C22H22 ABC5D22E22 -180.71 5.38 -8.44 -0.91 -1
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137125 52155410 1 NO6H22C23 AB6C22D23 -141.65 8.57 0.0 0.0 0
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137126 52155411 1 NO6C23H23 AB6C23D23 -170.48 8.05 -8.93 -0.96 0
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137127 52155745 1 N4O5C28H38 A4B5C28D38 -151.08 5.08 -8.4 -0.62 0
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137128 52155835 2 NO2C12H13 AB2C12D13 -90.64 7.4 -8.99 -0.83 0
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137129 52155963 1 FN2O3C27H31 AB2C3D27E31 -122.6 7.8 -8.73 -1.14 0
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137130 52156342 2 NO3C13H15 AB3C13D15 -161.12 16.52 -8.17 -0.05 0
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137131 52156343 2 NO3C13H15 AB3C13D15 -174.47 8.55 -8.51 -0.9 0
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137132 52156377 2 FNO2C12H12 ABC2D12E12 -184.26 7.15 -8.87 -1.27 0
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137133 52156742 1 N3O5C24H25 A3B5C24D25 -116.49 7.1 -8.96 -1.04 0
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137134 52156743 1 N3O5C24H25 A3B5C24D25 -100.93 19.52 -8.35 -0.27 0
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137135 52156744 1 N3O5C24H25 A3B5C24D25 -117.33 8.28 -9.17 -1.16 0
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137136 52157570 1 SN3O5C26H33 AB3C5D26E33 -148.92 3.73 -8.41 -1.02 0
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137137 52157828 2 NO3C14H15 AB3C14D15 -146.19 7.45 -8.89 -0.97 0
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137138 52157934 1 O3N4C16H18 A3B4C16D18 -57.89 7.86 -9.27 -0.76 -1
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137139 52157987 1 N2O5C15H17 A2B5C15D17 -180.96 5.51 0.0 0.0 0
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137140 52157988 1 N2O5C15H18 A2B5C15D18 -200.22 6.14 -9.12 -0.65 0
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137141 52158053 1 N3O3H13C17 A3B3C13D17 -36.93 2.46 -9.17 -0.95 0
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137142 52158144 1 SN2O5C18H18 AB2C5D18E18 -169.23 3.2 -8.92 -0.85 0
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137143 52158768 1 FO3N4C23H23 AB3C4D23E23 -97.68 1.59 -8.63 -0.46 0
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137144 52158844 1 O3N4C20H20 A3B4C20D20 -47.98 8.24 -8.73 -0.62 0
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137145 52158910 1 ClO3N4H21C22 AB3C4D21E22 -45.49 7.32 -9.07 -0.68 0
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137146 52159502 1 ClO3N4C23H23 AB3C4D23E23 -58.31 6.06 -8.91 -0.87 0
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137147 52159562 1 ClSN4O4C17H17 ABC4D4E17F17 -108.72 6.07 -9.12 -1.17 0
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137148 52159563 1 ClSN4O4C17H17 ABC4D4E17F17 -108.8 6.77 -9.28 -1.1 0
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137149 52159582 1 ClO3N4H19C20 AB3C4D19E20 -55.41 4.25 -8.76 -0.66 0
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137150 52159583 1 ClO3N4H19C20 AB3C4D19E20 -52.45 5.36 -8.7 -0.98 0
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137151 52159584 1 ClO3N4H15C18 AB3C4D15E18 -43.76 3.34 -8.92 -1.04 0
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137152 52159585 1 ClO3N4H15C18 AB3C4D15E18 -45.9 2.68 -8.86 -1.06 0
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137153 52159586 1 ClO3N4C17H19 AB3C4D17E19 -78.43 4.17 -9.06 -1.06 0
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137154 52159609 1 ClN3O3H16C17 AB3C3D16E17 -77.26 4.06 -9.23 -0.92 0
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137155 52159796 1 ClN2O4H17C18 AB2C4D17E18 -131.62 3.86 -9.18 -0.88 0
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137156 52159950 1 Cl2N2O4H14C17 A2B2C4D14E17 -123.32 6.15 -8.6 -1.01 0
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137157 52160167 1 NO4H9C11 AB4C9D11 -121.91 5.71 -9.42 -1.4 0
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137158 52160699 1 N3O4C25H25 A3B4C25D25 -73.84 6.79 -9.18 -1.37 0
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137159 52162081 1 SN2O2C10H10 AB2C2D10E10 -65.96 1.67 -8.73 -0.64 0
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137160 52163332 1 NO2C17H23 AB2C17D23 -56.64 2.75 -8.7 -0.03 0
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137161 52163333 1 NO3C15H19 AB3C15D19 -75.47 3.6 -8.47 -0.04 0
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137162 52163591 1 SO2N4C21H26 AB2C4D21E26 17.16 2.97 -8.87 -0.4 0
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137163 52163710 1 ClFON4C19H24 ABCD4E19F24 -54.47 8.7 -9.22 -0.63 1
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137164 52164406 1 ClO2N5C23H31 AB2C5D23E31 -34.02 7.59 0.0 0.0 0
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137165 52164407 1 ClO2N5C23H30 AB2C5D23E30 -37.31 3.59 -8.68 -0.57 1
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137166 52164408 1 O2N5C24H34 A2B5C24D34 -33.33 7.32 0.0 0.0 0
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137167 52164850 1 O2N6C17H26 A2B6C17D26 -21.44 5.11 -8.56 -0.65 1
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137168 52165201 1 N4O4C19H29 A4B4C19D29 -139.52 13.77 0.0 0.0 0
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137169 52165330 1 ClO3N5C22H28 AB3C5D22E28 -65.97 3.59 -8.8 -0.84 0
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137170 52165882 1 N3O4C19H21 A3B4C19D21 -99.32 7.47 -9.15 -0.84 0
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137171 52166039 1 N3O3C22H29 A3B3C22D29 -103.97 4.74 -8.76 -0.68 0
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137172 52166124 1 N3O5C17H19 A3B5C17D19 -141.62 4.78 -9.31 -0.99 0
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137173 52166125 1 N3O3C17H21 A3B3C17D21 -71.6 4.76 -8.56 -0.77 0
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137174 52166126 1 N3O3C17H21 A3B3C17D21 -72.62 3.42 -8.59 -0.74 0
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137175 52166351 1 N3O5C20H23 A3B5C20D23 -137.58 3.74 -8.29 -0.86 0
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137176 52166352 1 N3O3C23H25 A3B3C23D25 -56.8 4.93 -8.44 -0.84 0
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137177 52166962 1 BrSO2N6C17H17 ABC2D6E17F17 26.3 5.24 -8.78 -1.1 0
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137178 52166963 1 SO4N5C17H17 AB4C5D17E17 -50.05 0.33 -8.75 -1.22 0
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137179 52167082 1 BrO2N6H13C14 AB2C6D13E14 14.02 1.94 -8.75 -1.28 0
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137180 52167401 1 ClO2N4C11H11 AB2C4D11E11 -27.55 1.27 -8.56 -1.04 0
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137181 52167503 1 O2N6C17H20 A2B6C17D20 10.11 1.67 -8.73 -0.97 0
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137182 52167504 2 ON3C7H11 AB3C7D11 -40.12 4.04 -8.65 -0.51 0
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137183 52167505 1 O2N6C15H24 A2B6C15D24 -38.58 1.3 -8.63 -0.52 0
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137184 52167506 1 O3N7C13H19 A3B7C13D19 -65.31 6.87 -8.36 -0.68 0
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137185 52167507 2 ON3C8H10 AB3C8D10 -10.07 5.07 -8.87 -0.89 0
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137186 52167508 1 O2N6C17H22 A2B6C17D22 -10.81 2.5 -8.46 -0.79 0
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137187 52167870 1 O3N5C17H23 A3B5C17D23 -99.41 3.43 -8.02 -0.65 0
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137188 52167871 1 ClO2N4C15H19 AB2C4D15E19 -58.76 1.41 -8.54 -0.82 0
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137189 52167872 1 ClO2N4C16H21 AB2C4D16E21 -63.33 1.93 -8.84 -0.59 0
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137190 52167873 1 O2N4C17H24 A2B4C17D24 -62.34 2.44 -8.34 -0.57 0
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137191 52167874 2 ON2C9H13 AB2C9D13 -67.81 2.12 -8.25 -0.61 0
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137192 52167875 2 ON2C9H12 AB2C9D12 -60.7 2.3 -8.17 -0.63 0
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137193 52167876 1 ClO3N4C16H21 AB3C4D16E21 -96.99 2.48 -8.38 -0.7 0
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137194 52167877 1 O3N4C17H24 A3B4C17D24 -94.37 2.36 -8.2 -0.53 0
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137195 52167878 1 O3N4C17H24 A3B4C17D24 -94.62 3.23 -8.0 -0.59 0
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137196 52167923 2 ON2C5H9 AB2C5D9 -77.29 2.27 -8.71 -0.48 0
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137197 52167924 2 ON2C6H10 AB2C6D10 -60.2 2.39 -8.64 -0.44 0
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137198 52167925 1 O3N4C15H22 A3B4C15D22 -95.5 2.59 -8.76 -0.51 0
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137199 52167926 1 O2N4C17H22 A2B4C17D22 -47.15 1.81 -8.22 -0.6 0
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137200 52168323 1 SN3O5C17H19 AB3C5D17E19 -98.74 1.43 -8.97 -1.24 0
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137201 52168635 1 O2N4C15H22 A2B4C15D22 -29.61 3.2 -8.73 -0.49 0
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137202 52168871 1 ClO2N4C18H21 AB2C4D18E21 -23.82 1.81 -8.71 -0.96 0
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137203 52168955 1 O2N4C19H24 A2B4C19D24 -16.6 2.31 -8.83 -0.66 0
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137204 52169005 1 ON4H16C18 AB4C16D18 71.77 3.27 -8.72 -0.76 0
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137205 52169557 1 OSN7C18H19 ABC7D18E19 109.48 5.37 -8.78 -1.24 0
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137206 52169859 1 ClNO3C12H16 ABC3D12E16 -115.92 8.38 -9.45 -0.77 0
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137207 52169860 1 ClNO3C12H16 ABC3D12E16 -123.95 6.18 -9.12 -0.35 0
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137208 52170411 1 SN2O3H10C12 AB2C3D10E12 -57.51 6.52 -9.56 -1.63 0
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137209 52170412 2 NOSH6C9 ABCD6E9 39.57 0.98 -9.14 -1.32 0
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137210 52170478 1 N3O4C19H29 A3B4C19D29 -113.03 6.27 -9.31 -1.34 0
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137211 52170543 1 OSN5C17H25 ABC5D17E25 -11.01 1.97 -8.97 -1.01 0