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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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446273 135273687 1 SN4O6C30H54 AB4C6D30E54 -244.54 5.87 -9.17 0.03 0
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446274 135273693 1 FO4N6C27H33 AB4C6D27E33 -118.62 3.26 -8.77 -0.76 0
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446275 135273711 1 O4N5C23H27 A4B5C23D27 -68.43 5.71 -8.78 -0.6 0
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446276 135273712 1 O8C13H24 A8B13C24 -376.16 0.93 -10.72 -0.26 0
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446277 135273721 1 O4N6C27H34 A4B6C27D34 -46.02 5.14 -8.97 -0.94 0
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446278 135273731 1 ON3C17H23 AB3C17D23 19.04 1.59 -8.83 -0.28 0
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446279 135273737 1 PN2C4H11 AB2C4D11 9.93 0.95 -8.66 1.04 0
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446280 135273744 1 ON2C17H28 AB2C17D28 -40.33 3.0 -8.07 0.74 0
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446281 135273749 1 NOC16H25 ABC16D25 -47.74 4.77 -8.67 0.27 0
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446282 135273770 1 FON3C17H20 ABC3D17E20 -5.5 2.93 -8.92 -0.43 0
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446283 135273774 1 BrClIPN2H6C7 ABCDE2F6G7 18.31 1.63 -9.52 -1.32 0
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446284 135273786 1 ClFN5C18H19 ABC5D18E19 31.48 7.21 -8.91 -1.03 0
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446285 135273799 1 NH23C35 AB23C35 149.22 1.67 -8.09 -0.68 0
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446286 135273805 1 NH19C25 AB19C25 80.85 1.63 -8.23 -0.8 0
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446287 135273806 2 N2H16C25 A2B16C25 262.95 0.94 -8.3 -1.14 0
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446288 135273808 2 N2H15C25 A2B15C25 265.07 0.8 -8.28 -1.1 0
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446289 135273820 1 O3N6C29H38 A3B6C29D38 -79.79 3.41 -8.61 -0.6 0
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446290 135273830 1 IN3O3C13H16 AB3C3D13E16 -48.8 5.81 -9.12 -1.21 0
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446291 135273836 1 O2N6C27H38 A2B6C27D38 -3.25 4.74 -8.67 -0.46 0
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446292 135273840 1 O3N6C23H30 A3B6C23D30 -42.74 1.96 -8.85 -0.48 0
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446293 135273841 1 ClO2N6C22H25 AB2C6D22E25 28.49 1.64 -8.91 -0.96 0
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446294 135273845 2 O3H19C23 A3B19C23 -84.54 4.57 -9.15 -1.2 0
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446295 135273851 1 IN3O3C13H16 AB3C3D13E16 -58.88 5.47 -9.3 -1.27 0
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446296 135273854 1 O2C25H28 A2B25C28 28.32 4.16 -8.36 -0.72 0
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446297 135273858 1 O3N6C23H28 A3B6C23D28 -22.66 6.79 -8.64 -0.61 0
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446298 135273861 1 O3C26H30 A3B26C30 -12.07 5.02 -8.53 -0.73 0
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446299 135273875 1 ON3C17H23 AB3C17D23 12.04 4.86 -8.48 0.0 0
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446300 135273883 2 ON3C13H16 AB3C13D16 39.64 3.54 -8.72 -0.7 0
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446301 135273889 1 ClN5O5C23H26 AB5C5D23E26 -125.83 1.37 -8.99 -0.81 0
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446302 135273901 1 SN4H22C37 AB4C22D37 210.08 2.01 -7.94 -1.22 0
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446303 135273914 3 NH9C13 AB9C13 173.59 2.42 -8.17 -1.11 0
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446304 135273917 1 N3H33C47 A3B33C47 206.44 1.51 -8.21 -0.81 0
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446305 135273929 1 O4N6C27H34 A4B6C27D34 -65.94 6.31 -8.75 -0.72 0
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446306 135273930 1 O3N6C27H34 A3B6C27D34 -34.07 5.01 -8.69 -0.69 0
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446307 135273940 1 NSH13C22 ABC13D22 97.08 2.57 -7.83 -1.0 0
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446308 135273943 1 ClNSH18C28 ABCD18E28 107.02 1.77 -8.02 -0.93 0
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446309 135273945 1 NSH13C22 ABC13D22 96.72 0.58 -7.95 -1.0 0
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446310 135273952 1 O2N3H23C45 A2B3C23D45 280.85 5.68 -7.93 -1.79 0
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446311 135273958 1 O2N4H22C43 A2B4C22D43 184.97 10.2 -8.31 -1.42 0
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446312 135273961 3 NH9C13 AB9C13 179.0 3.09 -8.09 -1.09 0
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446313 135273969 1 O2N6C29H38 A2B6C29D38 2.07 2.35 -8.59 -0.56 0
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446314 135273976 1 N2C13H16 A2B13C16 37.23 5.49 -8.76 -0.06 0
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446315 135273996 1 NC16H19 AB16C19 19.14 3.39 -9.08 -0.05 0
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446316 135274002 1 FN2C14H17 AB2C14D17 -11.22 4.62 -8.7 0.07 0
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446317 135274023 1 O3N5C26H33 A3B5C26D33 -69.0 3.29 -8.73 -0.41 0
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446318 135274028 1 FO2N5H22C27 AB2C5D22E27 22.16 3.76 -9.13 -1.09 0
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446319 135274031 1 ON5C25H25 AB5C25D25 79.67 5.84 -8.43 -0.52 0
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446320 135274052 1 NO5C12H21 AB5C12D21 -259.85 3.41 -10.07 0.45 0
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446321 135274063 1 ClIOPN3C13H16 ABCDE3F13G16 -42.41 3.04 -8.87 -1.23 0
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446322 135274067 1 NH27C41 AB27C41 161.98 2.2 -8.02 -1.24 0
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446323 135274071 1 N2H30C43 A2B30C43 167.86 4.75 -7.89 -0.68 0
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446324 135274079 1 OSC7H12 ABC7D12 -49.07 1.76 -9.34 0.05 0
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446325 135274081 1 O2C17H30 A2B17C30 -121.87 2.38 -9.56 0.64 0
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446326 135274102 1 S2N4O9C49H56 A2B4C9D49E56 -304.92 14.05 -7.96 -1.63 0
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446327 135274112 1 S2N4O9C49H56 A2B4C9D49E56 -311.26 15.18 -8.17 -1.58 -1
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446328 135274128 1 S3N6O10C65H89 A3B6C10D65E89 -396.08 6.62 0.0 0.0 -1
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446329 135274130 1 S2N5O8C50H58 A2B5C8D50E58 -244.52 9.28 0.0 0.0 -1
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446330 135274143 1 S3N6O10C51H61 A3B6C10D51E61 -323.9 2.52 0.0 0.0 0
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446331 135274158 1 NO3C10H17 AB3C10D17 -149.78 3.8 -9.36 0.44 0
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446332 135274170 2 NO2C10H10 AB2C10D10 -116.42 3.02 -9.46 -0.96 0
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446333 135274175 1 N5O5C21H25 A5B5C21D25 -132.11 3.27 -9.24 -0.86 0
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446334 135274177 1 N2O5C18H22 A2B5C18D22 -190.44 5.28 -9.51 -1.02 0
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446335 135274183 1 NO4C17H17 AB4C17D17 -95.43 3.72 -9.73 -1.1 0
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446336 135274185 1 N2O3C16H18 A2B3C16D18 -86.02 5.29 -9.32 -0.85 0
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446337 135274189 2 N2O2C9H10 A2B2C9D10 -90.04 8.8 -9.54 -1.14 0
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446338 135274195 1 NO5C15H17 AB5C15D17 -187.31 3.84 -9.35 -1.08 0
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446339 135274197 1 NO5C18H19 AB5C18D19 -135.13 5.67 -9.04 -0.81 0
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446340 135274203 1 NO5C22H23 AB5C22D23 -170.99 3.65 -9.56 -0.69 0
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446341 135274210 1 ClNH20C25 ABC20D25 66.55 2.25 -8.29 -0.79 0
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446342 135274217 1 ClIO2N6C23H28 ABC2D6E23F28 10.16 3.92 -8.98 -0.98 0
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446343 135274227 1 NH21C35 AB21C35 158.44 1.4 -8.05 -0.65 0
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446344 135274234 1 PO2N3C6H12 AB2C3D6E12 -101.49 1.78 -9.56 -0.11 0
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446345 135274240 1 O2N3C7H13 A2B3C7D13 -96.85 3.08 -9.63 0.27 0
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446346 135274244 1 S2N3C6H11 A2B3C6D11 14.97 3.26 -8.78 -0.69 0
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446347 135274264 1 NH25C35 AB25C35 155.63 0.58 -8.19 -0.91 0