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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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29223 832411 1 ON3C20H29 AB3C20D29 -20.52 1.36 -8.87 -0.61 0
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29224 832413 1 NO3C13H15 AB3C13D15 -90.78 2.25 -8.17 -0.65 0
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29225 832433 1 NO3C19H23 AB3C19D23 -89.82 4.43 -8.32 -0.21 0
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29226 832441 1 ClNO3C19H22 ABC3D19E22 -98.33 3.57 -8.19 -0.53 0
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29227 832446 1 SN2O2C16H18 AB2C2D16E18 -11.85 4.31 -8.95 -0.69 0
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29228 832449 1 FOSN3H16C18 ABCD3E16F18 -10.91 0.98 -8.72 -1.25 0
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29229 832450 1 ClNO3C19H22 ABC3D19E22 -101.1 6.31 -8.72 -0.29 0
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29230 832452 1 BrNO3C14H20 ABC3D14E20 -124.32 6.58 -8.55 -0.18 0
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29231 832453 1 ClN2O3H17C18 AB2C3D17E18 -36.8 3.37 -8.95 -0.88 0
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29232 832461 1 ClNSO3C16H16 ABCD3E16F16 -81.53 3.91 -8.9 -0.63 0
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29233 832477 1 N2O3C16H16 A2B3C16D16 -59.45 1.83 -9.85 -1.39 0
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29234 832479 1 N2O2C17H18 A2B2C17D18 5.83 2.55 -8.9 -0.5 0
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29235 832482 1 NO3C14H15 AB3C14D15 -71.34 5.19 -8.89 -0.32 0
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29236 832483 1 ClNO2H12C13 ABC2D12E13 -40.35 3.17 -9.59 -0.46 0
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29237 832484 1 ClO5H9C11 AB5C9D11 -159.65 5.41 -9.79 -1.74 0
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29238 832485 1 ClO5H9C11 AB5C9D11 -164.93 6.69 -9.69 -1.4 0
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29239 832486 1 ClO5H9C11 AB5C9D11 -160.28 7.34 -9.81 -1.76 0
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29240 832491 1 BrS2H7C11 AB2C7D11 55.47 2.05 -8.55 -0.89 0
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29241 832494 1 O5H12C16 A5B12C16 -132.01 2.2 -9.15 -0.95 0
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29242 832504 2 NO2H8C9 AB2C8D9 -122.09 0.27 -9.0 -0.78 0
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29243 832511 1 NO4H13C17 AB4C13D17 -93.23 7.55 -10.27 -1.52 0
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29244 832513 1 NO3C17H25 AB3C17D25 -140.16 1.65 -8.89 0.25 0
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29245 832542 1 OSN3H13C16 ABC3D13E16 42.0 3.26 -8.93 -0.9 0
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29246 832553 1 FN2O2H15C17 AB2C2D15E17 -76.75 1.75 -8.22 -1.73 0
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29247 832558 1 ON2H16C17 AB2C16D17 34.18 2.68 -8.53 -0.2 0
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29248 832561 2 NOC8H8 ABC8D8 -45.92 2.71 -8.88 -0.31 0
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29249 832564 1 SO2N3H15C17 AB2C3D15E17 21.35 4.67 -8.88 -0.76 0
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29250 832580 1 NOH15C18 ABC15D18 34.63 2.97 -8.5 -0.93 0
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29251 832589 1 NCl2O2H15C16 AB2C2D15E16 -64.66 1.63 -8.76 -0.66 0
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29252 832601 1 ClNOH14C16 ABCD14E16 11.82 1.87 -9.0 -0.3 0
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29253 832612 1 NOC17H17 ABC17D17 11.52 3.8 -8.51 0.0 0
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29254 832632 1 NOC18H19 ABC18D19 -4.09 4.13 -8.42 -0.34 0
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29255 832635 1 NO2H19C22 AB2C19D22 -11.32 6.68 -9.19 -0.67 0
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29256 832637 2 NO2H7C10 AB2C7D10 -0.42 8.69 -9.47 -1.83 0
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29257 832638 1 BrNO2C16H22 ABC2D16E22 -90.57 3.92 -9.16 -0.38 0
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29258 832639 1 NO3C17H21 AB3C17D21 -113.41 5.89 -9.15 -0.53 0
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29259 832646 1 ON2C17H22 AB2C17D22 -6.04 1.8 -9.25 -0.72 0
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29260 832656 1 O2N4H18C19 A2B4C18D19 3.93 5.43 -8.3 -0.51 0
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29261 832661 1 O3C16H18 A3B16C18 -97.77 4.92 -9.53 -0.59 0
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29262 832706 1 N3O4H17C18 A3B4C17D18 -30.97 7.32 -8.69 -1.03 0
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29263 832719 1 FNOC12H16 ABCD12E16 -74.65 2.2 -9.16 0.03 0
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29264 832724 1 ClNC15H16 ABC15D16 31.22 1.16 -9.15 0.02 0
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29265 832725 1 ClNC15H16 ABC15D16 32.68 0.53 -9.07 -0.1 0
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29266 832726 1 NO2C13H19 AB2C13D19 -66.46 2.3 -8.62 0.32 0
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29267 832727 1 NO2C13H19 AB2C13D19 -67.22 3.52 -8.6 0.35 0
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29268 832735 1 FNOH14C19 ABCD14E19 -9.35 4.96 -8.92 -0.74 0
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29269 832737 2 NOH8C10 ABC8D10 -5.59 5.84 -9.17 -0.82 0
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29270 832739 2 NOH8C10 ABC8D10 -7.83 2.52 -8.99 -0.66 0
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29271 832741 1 NOC17H19 ABC17D19 -12.98 3.61 -8.97 -0.57 0
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29272 832746 1 SN2O3C14H20 AB2C3D14E20 -117.83 9.83 -9.33 -0.64 0
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29273 832749 1 ClSN2O3H9C11 ABC2D3E9F11 -70.53 3.05 -9.08 -1.34 0
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29274 832758 1 O2N3C19H19 A2B3C19D19 6.73 1.14 -7.86 -1.39 0
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29275 832759 1 O3N4H10C13 A3B4C10D13 -21.09 1.73 -9.75 -1.34 0
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29276 832766 1 NO5H11C15 AB5C11D15 -70.37 4.1 -10.09 -1.68 0
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29277 832769 1 ON2C19H24 AB2C19D24 3.1 3.9 -8.94 -0.18 0
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29278 832770 1 ON3H15C17 AB3C15D17 22.2 4.53 -8.41 -0.57 0
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29279 832772 1 ClN2O3H9C13 AB2C3D9E13 -0.63 9.6 -9.41 -1.39 0
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29280 832782 1 NOSC10H11 ABCD10E11 -9.56 0.8 -8.59 -0.57 0
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29281 832783 1 ClN2O2H15C19 AB2C2D15E19 -10.32 5.35 -8.68 -0.46 0
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29282 832789 1 OSCl2N2H10C14 ABC2D2E10F14 3.08 3.86 -8.94 -1.48 0
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29283 832790 1 N2O5H16C17 A2B5C16D17 -138.48 2.83 -8.92 -1.01 0
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29284 832799 1 OS2N3C11H15 AB2C3D11E15 4.65 4.63 -8.56 -1.2 1
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29285 832804 1 ON3C18H20 AB3C18D20 20.46 5.44 0.0 0.0 0
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29286 832811 1 N3O3C19H23 A3B3C19D23 -79.01 0.72 -8.88 -0.24 0
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29287 832813 1 N5H13C16 A5B13C16 138.36 2.87 -8.78 -0.87 1
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29288 832816 1 OSN2C17H17 ABC2D17E17 24.4 6.14 0.0 0.0 0
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29289 832818 1 SN2O2C18H18 AB2C2D18E18 0.56 1.37 -7.96 -1.21 0
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29290 832832 2 O2H5C8 A2B5C8 -86.97 9.38 -9.91 -1.99 0
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29291 832836 1 ON3C17H19 AB3C17D19 19.55 4.09 -8.75 -0.06 0
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29292 832848 1 OCl2N2H12C16 AB2C2D12E16 -4.47 4.58 -9.12 -1.14 0
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29293 832850 1 ClOSN5H12C15 ABCD5E12F15 72.68 4.03 -9.46 -1.33 0
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29294 832851 1 ON2C19H22 AB2C19D22 -2.75 3.2 -8.84 -0.62 0
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29295 832854 1 NS2O3H11C17 AB2C3D11E17 -12.86 4.52 -8.54 -1.12 0
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29296 832855 2 NOH8C9 ABC8D9 41.55 10.68 -8.59 -1.3 0
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29297 832856 2 NOH8C9 ABC8D9 39.59 9.41 -8.49 -1.31 0
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29298 832858 1 ClNSO2C16H18 ABCD2E16F18 -65.01 2.63 -8.74 -1.31 0
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29299 832860 1 Cl2N2O2C15H18 A2B2C2D15E18 -64.94 7.91 -8.91 -0.41 0
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29300 832861 1 O2N6H14C17 A2B6C14D17 164.87 2.83 -9.63 -0.84 0
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29301 832865 1 N3O4H15C16 A3B4C15D16 -8.42 4.94 -8.85 -1.7 0
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29302 832866 1 BrN2O2H11C16 AB2C2D11E16 19.12 3.11 -8.86 -1.32 0
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29303 832867 1 SN2O2C17H18 AB2C2D17E18 -34.48 5.76 -8.65 -0.78 0
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29304 832870 1 N3O5H11C14 A3B5C11D14 -32.21 5.64 -9.4 -2.16 0
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29305 832891 1 SN3O3H13C17 AB3C3D13E17 31.44 8.78 -9.11 -1.29 0
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29306 832900 1 FOS2N3C16H16 ABC2D3E16F16 -44.66 8.55 -8.62 -1.03 0
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29307 832902 1 ON3C12H15 AB3C12D15 18.38 4.37 -8.8 -0.09 0
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29308 832904 1 FN4H5C9 AB4C5D9 83.0 5.02 -9.5 -1.58 0
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29309 832906 1 ClN2O2H9C13 AB2C2D9E13 60.21 3.52 -9.31 -1.59 0
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29310 832920 1 SN2O2H12C16 AB2C2D12E16 5.11 3.06 -9.03 -1.45 0
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29311 832921 1 SO2N3C18H19 AB2C3D18E19 -12.78 6.21 -8.62 -0.77 0
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29312 832922 2 ON2C8H8 AB2C8D8 -1.01 5.58 -9.17 -0.89 0
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29313 832923 1 N3O3C18H19 A3B3C18D19 -66.04 4.24 -8.8 -0.39 0
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29314 832924 1 O2N3C20H25 A2B3C20D25 -33.31 6.85 -8.75 -0.38 0
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29315 832925 1 FSN2O3C16H17 ABC2D3E16F17 -147.58 1.24 -9.22 -1.19 0
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29316 832926 1 O2N3C20H25 A2B3C20D25 -36.85 7.54 -8.79 -0.35 0
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29317 832927 1 FSN2O3C16H17 ABC2D3E16F17 -147.52 1.18 -9.22 -1.2 0
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29318 832928 1 SN2O4C16H18 AB2C4D16E18 -133.48 1.28 -8.88 -1.19 0
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29319 832933 1 ClNO5H12C15 ABC5D12E15 -86.88 6.17 -9.27 -1.56 0
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29320 832936 1 SN2O3C17H26 AB2C3D17E26 -145.59 6.8 -9.6 -0.72 0
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29321 832943 1 N3O3C17H21 A3B3C17D21 -85.85 2.33 -8.58 -0.93 0
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29322 832945 1 N2O3C15H18 A2B3C15D18 -92.57 3.55 -8.63 -1.1 0