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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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38128 8027268 1 NO5C16H21 AB5C16D21 -193.98 6.68 -8.67 -0.18 -1
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38129 8027275 1 NO5C16H20 AB5C16D20 -145.24 4.59 0.0 0.0 -1
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38130 8027279 1 NO5C14H14 AB5C14D14 -121.37 3.49 0.0 0.0 1
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38131 8027307 3 NOC4H6 ABC4D6 -73.76 5.6 0.0 0.0 1
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38132 8027347 1 N2C12H19 A2B12C19 39.63 1.51 0.0 0.0 0
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38133 8027354 1 ON2C12H18 AB2C12D18 -19.85 2.08 -7.78 0.54 0
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38134 8027366 1 FN2C11H15 AB2C11D15 -29.73 3.81 -8.39 0.05 0
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38135 8027368 1 FN2C11H15 AB2C11D15 -30.35 5.17 -8.24 0.19 1
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38136 8027371 1 Cl2N2C11H15 A2B2C11D15 13.81 4.88 0.0 0.0 0
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38137 8027372 1 Cl2N2C11H14 A2B2C11D14 -3.22 4.47 -8.42 -0.1 1
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38138 8027383 1 N2C13H21 A2B13C21 23.26 3.13 0.0 0.0 2
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38139 8027393 2 NC6H10 AB6C10 19.96 3.59 -9.15 0.17 0
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38140 8027396 2 NC6H9 AB6C9 18.34 0.94 -8.98 0.36 1
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38141 8027397 1 ClNOC12H17 ABCD12E17 -18.46 9.18 0.0 0.0 -1
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38142 8027401 1 NO2H10C14 AB2C10D14 8.69 12.86 0.0 0.0 1
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38143 8027403 1 NC8H18 AB8C18 3.63 1.63 0.0 0.0 0
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38144 8027406 1 NC8H17 AB8C17 -28.72 2.14 -9.06 3.1 0
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38145 8027407 1 FN2O2H19C20 AB2C2D19E20 -61.66 3.07 -8.81 -0.98 0
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38146 8027410 1 FN2O2C11H11 AB2C2D11E11 -110.58 6.12 -9.28 -0.51 0
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38147 8027414 1 BrN2O2C11H11 AB2C2D11E11 -63.53 2.52 -9.16 -0.57 0
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38148 8027416 2 NOC6H7 ABC6D7 -75.04 2.06 -8.8 -0.12 0
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38149 8027418 1 N2O3C13H16 A2B3C13D16 -111.91 2.58 -8.46 -0.08 0
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38150 8027419 1 N2O3C12H14 A2B3C12D14 -107.74 2.14 -8.86 -0.23 0
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38151 8027428 1 ClN2O2C12H13 AB2C2D12E13 -83.42 3.3 -9.11 -0.45 0
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38152 8027437 1 BrNO2H12C13 ABC2D12E13 -34.7 2.03 -9.27 -0.95 0
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38153 8027446 1 NSO2C9H13 ABC2D9E13 -71.22 2.38 -8.87 -0.17 0
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38154 8027457 1 NO4H17C18 AB4C17D18 -119.25 8.09 -9.12 -1.17 0
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38155 8027464 2 NOH11C12 ABC11D12 8.42 3.2 -9.2 -1.28 0
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38156 8027483 1 BrN2O2C16H21 AB2C2D16E21 -93.0 4.97 -8.64 -0.31 0
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38157 8027484 1 IN2O2C16H21 AB2C2D16E21 -79.59 4.92 -8.65 -0.68 -1
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38158 8027536 1 NO4H10C12 AB4C10D12 -87.35 4.39 0.0 0.0 -1
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38159 8027540 1 NO4H12C13 AB4C12D13 -98.25 4.93 0.0 0.0 0
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38160 8027541 1 NO4C13H13 AB4C13D13 -91.77 4.5 -9.04 -1.1 1
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38161 8027560 1 NO2C11H18 AB2C11D18 -72.14 3.99 0.0 0.0 0
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38162 8027561 1 NO2C11H17 AB2C11D17 -83.18 4.74 -8.88 0.04 1
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38163 8027566 1 NO2C13H22 AB2C13D22 -68.09 2.91 0.0 0.0 0
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38164 8027567 1 NO2C13H21 AB2C13D21 -87.72 3.36 -8.83 0.11 1
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38165 8027574 1 NO2C10H16 AB2C10D16 -53.24 3.39 0.0 0.0 -1
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38166 8027588 1 NO5H12C13 AB5C12D13 -128.74 4.94 0.0 0.0 0
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38167 8027630 1 ClNO3H20C22 ABC3D20E22 -77.16 2.63 -8.94 -1.03 0
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38168 8027639 1 F2N2O2S2H10C11 A2B2C2D2E10F11 -125.23 2.4 -9.72 -0.86 0
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38169 8027642 1 ClN2S2O4C16H19 AB2C2D4E16F19 -136.87 8.31 -9.16 -0.72 1
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38170 8027645 1 O3N5C17H24 A3B5C17D24 3.02 11.27 0.0 0.0 0
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38171 8027671 1 BrSN2O4H11C14 ABC2D4E11F14 -63.02 1.78 -9.11 -1.34 0
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38172 8027689 2 NSO2H5C6 ABC2D5E6 -62.99 1.73 -9.09 -1.47 0
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38173 8027691 1 N2S2O6C17H20 A2B2C6D17E20 -217.1 6.75 -9.11 -1.11 -1
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38174 8027714 1 N3O4C22H28 A3B4C22D28 -157.23 2.51 0.0 0.0 0
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38175 8027754 1 N3O4C18H19 A3B4C18D19 -99.32 5.8 -9.37 -1.26 0
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38176 8027790 1 N2O4C23H32 A2B4C23D32 -190.44 5.33 -9.1 -0.82 1
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38177 8027791 1 N2O5C20H27 A2B5C20D27 -163.55 2.97 0.0 0.0 0
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38178 8027800 1 SN3O4C21H27 AB3C4D21E27 -159.07 3.22 -9.1 -0.92 0
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38179 8027830 1 S2N3O3C15H15 A2B3C3D15E15 -55.6 2.08 -9.53 -1.0 0
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38180 8027845 1 NO2C13H17 AB2C13D17 -75.39 6.18 -9.4 0.1 0
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38181 8027846 1 SN3O4C21H27 AB3C4D21E27 -164.22 1.73 -9.05 -0.87 0
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38182 8027862 1 NO5C25H27 AB5C25D27 -178.18 3.53 -9.03 -0.84 0
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38183 8027876 1 N4O4C23H28 A4B4C23D28 -131.09 1.53 -8.36 -0.27 0
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38184 8027897 1 NO5C22H23 AB5C22D23 -165.53 4.9 -9.36 -0.98 0
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38185 8027901 1 N2O5C23H26 A2B5C23D26 -165.01 2.04 -8.83 -1.06 0
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38186 8027920 1 Cl2S2N3O3H11C14 A2B2C3D3E11F14 -64.73 3.83 -9.7 -1.35 0
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38187 8027924 1 ClN3O4H18C19 AB3C4D18E19 -135.55 8.84 -8.35 -1.17 0
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38188 8027927 1 ClO2N5H14C18 AB2C5D14E18 39.95 6.77 -9.35 -1.84 0
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38189 8027932 1 FN2S2O6C15H15 AB2C2D6E15F15 -251.74 6.27 -9.48 -1.31 0
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38190 8027942 1 N2S2O6C15H16 A2B2C6D15E16 -203.87 3.65 -9.36 -1.22 -1
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38191 8027943 1 N2S2O6C15H15 A2B2C6D15E15 -179.14 5.26 0.0 0.0 0
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38192 8027944 1 N2S2O6C15H16 A2B2C6D15E16 -200.7 4.26 -9.3 -1.41 -1
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38193 8027945 1 N2S2O6C15H15 A2B2C6D15E15 -148.46 5.59 0.0 0.0 0
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38194 8027946 1 N2S2O6C15H16 A2B2C6D15E16 -203.19 2.62 -9.34 -1.18 -1
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38195 8027947 1 N2S2O6C15H15 A2B2C6D15E15 -170.4 3.86 0.0 0.0 1
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38196 8027949 1 ClN2O5C21H28 AB2C5D21E28 -171.91 6.36 0.0 0.0 1
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38197 8027950 1 N2O5C22H29 A2B5C22D29 -163.49 7.09 0.0 0.0 1
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38198 8027951 1 ClN2O5C21H26 AB2C5D21E26 -161.34 5.21 0.0 0.0 1
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38199 8027953 1 ClN2O5C19H24 AB2C5D19E24 -176.79 10.67 0.0 0.0 0
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38200 8027955 1 SN3O3C20H25 AB3C3D20E25 -117.17 1.88 -9.19 -0.95 0
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38201 8027960 1 O2F3N4H15C18 A2B3C4D15E18 -156.86 8.5 -9.48 -1.65 1
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38202 8027962 1 N2O5C22H31 A2B5C22D31 -179.15 5.15 0.0 0.0 1