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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37003 8016053 1 O5H14C19 A5B14C19 -108.03 9.01 -8.6 -1.25 0
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37004 8016056 1 NO6C21H23 AB6C21D23 -240.88 12.33 -9.37 -1.33 0
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37005 8016058 1 NO6C21H23 AB6C21D23 -243.2 6.38 -9.15 -1.1 -1
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37006 8016063 1 NO7C22H24 AB7C22D24 -256.0 6.05 0.0 0.0 0
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37007 8016065 1 NO6C20H21 AB6C20D21 -226.87 5.68 -8.9 -0.67 0
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37008 8016067 1 N2O4C25H28 A2B4C25D28 -124.48 6.18 -8.99 -0.86 1
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37009 8016072 1 O2N3C15H22 A2B3C15D22 -71.69 4.58 0.0 0.0 1
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37010 8016110 1 N2O4C19H21 A2B4C19D21 -87.12 6.68 0.0 0.0 0
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37011 8016114 1 NO4C21H25 AB4C21D25 -135.68 7.32 -8.96 -0.86 0
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37012 8016123 1 NO4H23C24 AB4C23D24 -103.8 7.33 -8.99 -1.19 0
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37013 8016136 1 N2O3C18H20 A2B3C18D20 -63.28 4.23 -8.21 -0.56 0
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37014 8016138 1 NSO4H19C21 ABC4D19E21 -102.33 5.52 -8.8 -1.27 0
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37015 8016143 1 NO5C19H23 AB5C19D23 -189.83 6.18 -9.31 -1.1 -1
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37016 8016144 1 O2N6H13C16 A2B6C13D16 84.75 20.82 0.0 0.0 -1
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37017 8016185 1 ClNO6C20H21 ABC6D20E21 -231.13 5.88 0.0 0.0 0
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37018 8016186 1 ClNO6C20H22 ABC6D20E22 -239.01 10.11 -9.66 -1.63 0
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37019 8016188 1 NO5C22H29 AB5C22D29 -208.95 5.03 -8.93 -0.8 -1
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37020 8016193 1 NO6C23H26 AB6C23D26 -241.43 7.06 0.0 0.0 0
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37021 8016210 2 O3H5C7 A3B5C7 -174.63 5.2 -9.76 -1.19 0
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37022 8016218 1 N2O5C19H20 A2B5C19D20 -177.3 8.1 -9.52 -0.66 -1
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37023 8016228 1 NO6C21H22 AB6C21D22 -225.17 6.88 0.0 0.0 -1
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37024 8016233 1 O4N5H20C21 A4B5C20D21 -64.81 5.98 0.0 0.0 1
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37025 8016235 1 O2N3C21H22 A2B3C21D22 -12.37 8.0 0.0 0.0 0
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37026 8016266 1 NO6C21H23 AB6C21D23 -243.78 12.88 -9.14 -1.28 0
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37027 8016274 1 O2N3H21C22 A2B3C21D22 -21.46 0.86 -8.48 -0.28 -1
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37028 8016279 1 NO7C21H22 AB7C21D22 -220.71 7.57 0.0 0.0 -1
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37029 8016281 1 O4N5C19H24 A4B5C19D24 -117.62 5.29 0.0 0.0 -1
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37030 8016284 1 O4N5C20H26 A4B5C20D26 -124.73 6.38 0.0 0.0 0
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37031 8016289 1 NO6C22H25 AB6C22D25 -245.01 5.16 -9.22 -1.2 0
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37032 8016291 1 NO6C22H25 AB6C22D25 -248.26 5.63 -9.12 -1.08 0
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37033 8016293 2 N2O2C11H11 A2B2C11D11 -120.14 7.56 -8.49 -1.1 0
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37034 8016294 1 FNO4C25H26 ABC4D25E26 -199.35 6.98 -8.92 -0.84 0
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37035 8016304 1 O2N4H20C21 A2B4C20D21 -17.95 2.24 -8.5 -0.38 0
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37036 8016314 1 O2N3H19C20 A2B3C19D20 -15.77 1.53 -8.7 -0.78 0
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37037 8016319 1 N2O4C23H24 A2B4C23D24 -112.06 9.97 -9.32 -0.91 0
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37038 8016321 1 NO6C20H21 AB6C20D21 -236.15 11.85 -9.35 -1.32 0
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37039 8016326 1 NO6C19H19 AB6C19D19 -234.87 12.98 -9.14 -1.28 0
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37040 8016336 1 SO5H18C23 AB5C18D23 -57.49 5.95 -8.4 -1.14 -1
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37041 8016351 1 O6H19C22 A6B19C22 -183.65 5.12 0.0 0.0 0
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37042 8016360 2 NO2H9C11 AB2C9D11 -62.54 1.71 -8.14 -1.18 0
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37043 8016366 3 NOH7C8 ABC7D8 -44.42 4.04 -8.74 -1.55 0
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37044 8016381 1 ClON2H13C24 ABC2D13E24 68.58 0.67 -8.93 -1.49 0
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37045 8016394 1 N2O4H16C21 A2B4C16D21 -59.4 3.66 -8.4 -1.15 0
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37046 8016395 2 NO2H7C10 AB2C7D10 -59.69 3.6 -8.31 -1.31 1
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37047 8016396 1 ON2C22H31 AB2C22D31 -10.55 3.73 0.0 0.0 0
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37048 8016410 1 N2O5C21H24 A2B5C21D24 -165.01 7.44 -8.58 -0.15 0
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37049 8016412 1 N2O5H20C24 A2B5C20D24 -102.17 5.13 -8.3 -1.32 0
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37050 8016414 1 N3O3H19C24 A3B3C19D24 -37.25 3.29 -8.98 -1.48 0
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37051 8016419 1 ON2C22H30 AB2C22D30 -19.36 3.56 -8.54 -0.02 -1
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37052 8016423 1 NO6C22H24 AB6C22D24 -239.17 7.08 0.0 0.0 0