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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441052 135232879 1 SN2C20H27 AB2C20D27 64.3 1.99 0.0 0.0 1
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441053 135232880 1 SO2N3C24H34 AB2C3D24E34 -26.09 2.15 0.0 0.0 0
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441054 135232885 1 SN3C10H13 AB3C10D13 64.34 2.48 -8.22 -0.56 0
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441055 135232889 1 ICl2F3O3N5H21C29 AB2C3D3E5F21G29 -142.68 4.2 -9.63 -1.5 0
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441056 135232896 1 SN3C10H11 AB3C10D11 66.27 2.08 -8.52 -0.78 0
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441057 135232897 2 N2C5H6 A2B5C6 58.93 3.08 -8.65 -0.51 0
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441058 135232909 1 ClFO2N3C25H35 ABC2D3E25F35 -58.13 5.24 -9.37 -0.34 0
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441059 135232911 1 ClSF3O3N4C29H30 ABC3D3E4F29G30 -204.98 3.78 -8.95 -0.7 0
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441060 135232964 1 OSN5C17H31 ABC5D17E31 8.11 3.77 -8.39 -0.06 0
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441061 135232973 1 N2C11H14 A2B11C14 58.76 1.65 -8.38 0.02 0
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441062 135232977 1 SN3C12H17 AB3C12D17 71.05 3.92 -8.79 -0.84 0
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441063 135232982 1 ON3C19H33 AB3C19D33 -60.03 4.7 -8.91 -0.01 0
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441064 135232986 1 FOSN7C24H24 ABCD7E24F24 69.56 5.7 -8.51 -1.14 0
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441065 135232988 1 NO2C34H43 AB2C34D43 26.26 3.35 -8.51 -0.82 0
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441066 135232992 1 OSN6C21H22 ABC6D21E22 99.36 4.57 -8.77 -1.18 0
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441067 135232993 1 NOC32H35 ABC32D35 53.35 3.08 -9.05 -0.54 0
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441068 135232994 1 ClNO2C35H40 ABC2D35E40 -15.76 5.68 -8.69 0.08 0
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441069 135232995 1 NC26H27 AB26C27 55.05 2.16 -8.09 -0.21 0
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441070 135232997 1 NPF6H6C8 ABC6D6E8 -292.49 5.75 -9.96 -1.56 0
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441071 135232998 1 ClIF2O3N5H27C29 ABC2D3E5F27G29 -126.04 6.62 -9.28 -1.36 0
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441072 135232999 1 NO2F9H12C20 AB2C9D12E20 -482.53 9.6 -9.48 -1.44 0
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441073 135233006 1 ClO2F3N7H25C29 AB2C3D7E25F29 -93.7 7.51 -9.41 -1.07 0
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441074 135233008 1 ClF2N4O5C34H35 AB2C4D5E34F35 -226.39 2.96 -9.2 -0.85 0
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441075 135233012 1 OSN7C24H27 ABC7D24E27 97.21 6.0 -8.13 -0.77 0
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441076 135233013 1 SN5C10H13 AB5C10D13 91.47 6.8 -8.44 -0.86 0
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441077 135233018 1 ClF3O3N4C32H32 AB3C3D4E32F32 -212.35 8.3 -8.98 -0.92 0
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441078 135233019 1 NC29H31 AB29C31 99.79 2.3 -9.0 -0.09 0
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441079 135233021 1 NO2C5H11 AB2C5D11 -100.36 3.38 -9.42 1.66 0
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441080 135233022 1 IO2C25H33 AB2C25D33 -51.84 2.52 -8.63 -2.51 0
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441081 135233025 2 OC16H20 AB16C20 -46.58 2.88 -8.52 0.14 0
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441082 135233027 1 OSN6C22H22 ABC6D22E22 96.17 5.91 -8.59 -1.01 0
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441083 135233028 1 OSN7C24H25 ABC7D24E25 118.81 6.03 -8.44 -1.14 0
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441084 135233029 1 ClNO2F9H11C20 ABC2D9E11F20 -496.37 5.24 -9.45 -1.47 0
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441085 135233031 2 NC6H8 AB6C8 31.67 2.28 -8.25 -0.18 0
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441086 135233034 1 SN7C25H27 AB7C25D27 154.15 7.18 -8.11 -0.91 0
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441087 135233037 1 ClFO2N3C20H21 ABC2D3E20F21 -53.2 1.42 -9.57 -0.74 0
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441088 135233038 1 ClISF3O4N5H22C29 ABCD3E4F5G22H29 -167.37 5.55 -9.48 -2.74 0
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441089 135233040 1 OSN7C23H23 ABC7D23E23 124.79 5.33 -8.44 -1.15 0
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441090 135233043 1 ClF3O3N4H28C29 AB3C3D4E28F29 -196.79 7.33 -8.34 -0.62 0
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441091 135233051 1 ON3C11H11 AB3C11D11 16.5 4.31 -9.36 -0.87 0
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441092 135233057 1 N2O2C7H12 A2B2C7D12 -39.57 4.39 -9.35 0.36 0
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441093 135233074 2 N2C6H9 A2B6C9 73.36 3.51 -8.72 -0.09 0
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441094 135233090 1 FSO3H5C7 ABC3D5E7 -120.5 1.82 -9.62 -1.17 0
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441095 135233091 1 ClIO4N5C30H31 ABC4D5E30F31 -39.27 12.53 -9.55 -1.04 0
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441096 135233098 1 NC22H33 AB22C33 19.44 3.46 -8.1 0.21 0
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441097 135233109 1 NO6C17H25 AB6C17D25 -249.63 5.63 -9.07 -0.48 0
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441098 135233110 1 N2O6C15H18 A2B6C15D18 -164.62 4.86 -9.43 -1.5 0
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441099 135233115 1 NOC21H31 ABC21D31 -26.24 5.45 -8.25 -0.24 0
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441100 135233116 2 NC6H10 AB6C10 4.82 2.55 -8.31 1.3 0
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441101 135233121 1 NO7C27H37 AB7C27D37 -302.16 5.31 -8.93 -1.03 0
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441102 135233122 1 N2O5C18H24 A2B5C18D24 -113.49 4.92 -8.63 -1.41 0
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441103 135233126 1 NSO2C19H27 ABC2D19E27 -52.4 4.12 -8.21 -0.81 0
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441104 135233129 1 NO6C24H29 AB6C24D29 -243.94 2.67 -8.97 -0.97 0
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441105 135233134 1 O4C13H16 A4B13C16 -152.42 6.44 -10.05 -0.93 0
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441106 135233135 1 OSN7C26H31 ABC7D26E31 132.93 3.75 -8.08 -0.79 0
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441107 135233140 1 NOC20H29 ABC20D29 -26.5 4.6 -8.32 0.11 0
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441108 135233143 1 O7C33H42 A7B33C42 -294.59 4.35 -8.83 -1.1 0
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441109 135233146 1 NO5C17H23 AB5C17D23 -211.86 5.99 -9.33 -0.9 0
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441110 135233147 1 F2O2N3C23H25 A2B2C3D23E25 -35.71 3.28 -8.96 -1.2 0
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441111 135233148 1 NC23H37 AB23C37 14.16 2.54 -8.07 0.94 0
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441112 135233149 1 ClF2O3N6C33H35 AB2C3D6E33F35 -104.41 4.69 -9.72 -1.37 0
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441113 135233151 1 NO6C19H29 AB6C19D29 -250.83 5.0 -9.13 -0.19 0
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441114 135233152 2 NC17H26 AB17C26 30.02 3.92 -7.85 0.91 0
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441115 135233156 2 NO2C8H11 AB2C8D11 -85.84 5.3 -8.57 -1.37 0
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441116 135233159 1 ClF2N5H14C18 AB2C5D14E18 6.84 1.53 -9.04 -0.92 0
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441117 135233160 1 F2O2N6H20C21 A2B2C6D20E21 -78.37 3.18 -8.66 -0.76 0
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441118 135233163 1 SN8C23H26 AB8C23D26 152.73 5.56 -8.26 -1.04 0
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441119 135233172 1 SF2N6H12C20 AB2C6D12E20 86.48 5.59 -8.98 -1.78 0
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441120 135233173 1 OF2N7H15C18 AB2C7D15E18 -6.45 5.49 -9.43 -1.49 0
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441121 135233176 2 FN3H8C9 AB3C8D9 25.87 1.03 -9.12 -1.11 0
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441122 135233196 1 BrN3C11H14 AB3C11D14 72.6 3.0 -8.69 -0.63 0
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441123 135233225 1 NPC19H30 ABC19D30 23.12 3.94 -8.28 0.03 0
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441124 135233226 1 NO3C24H43 AB3C24D43 -218.62 5.79 -9.93 -0.09 0
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441125 135233227 1 NSF3O6C27H34 ABC3D6E27F34 -425.9 5.02 -9.14 -1.11 0
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441126 135233228 1 NSF3O7C25H30 ABC3D7E25F30 -437.47 6.17 -8.98 -1.0 0
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441127 135233234 1 ClF3O3N5H29C30 AB3C3D5E29F30 -166.23 7.67 -9.51 -1.02 0
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441128 135233239 1 NO4C15H21 AB4C15D21 -169.74 3.3 -8.53 -0.93 0
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441129 135233249 1 ClF2O4N5H24C30 AB2C4D5E24F30 -88.61 10.11 -9.65 -1.0 0
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441130 135233252 1 ClF2O3N7H30C32 AB2C3D7E30F32 -115.48 7.79 -9.05 -0.95 0
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441131 135233254 1 N6H10C13 A6B10C13 169.39 1.28 -9.61 -1.68 0
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441132 135233257 1 OF2N6H16C19 AB2C6D16E19 -21.43 2.97 -9.2 -0.94 0
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441133 135233258 1 NO7C34H45 AB7C34D45 -303.03 4.64 -8.68 -1.01 0
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441134 135233259 1 NO3C16H25 AB3C16D25 -108.68 4.06 -8.5 -0.58 0
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441135 135233268 1 F2O2N5C21H23 A2B2C5D21E23 -52.27 4.21 -8.23 -0.54 0
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441136 135233271 1 O2N5C21H29 A2B5C21D29 -30.41 7.09 -8.12 -0.7 0
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441137 135233274 1 O3N6C22H28 A3B6C22D28 41.04 8.15 -8.35 -0.55 0
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441138 135233277 1 NO6C31H45 AB6C31D45 -289.15 3.19 -8.93 -0.5 0
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441139 135233279 2 ON3C11H16 AB3C11D16 -45.88 6.08 -8.61 -0.33 0
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441140 135233280 1 NF3O6C29H36 AB3C6D29E36 -432.81 8.15 -9.07 -1.02 0
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441141 135233284 1 NO2C20H29 AB2C20D29 -65.79 3.08 -8.24 -0.59 0
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441142 135233285 1 O2N5C24H31 A2B5C24D31 -53.83 3.64 -8.65 -0.36 0
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441143 135233288 1 ON2C19H26 AB2C19D26 9.76 4.33 -8.45 -0.99 0
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441144 135233289 2 SN2O3H23C37 AB2C3D23E37 131.65 6.49 -8.45 -1.86 0
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441145 135233290 1 SO4C10H12 AB4C10D12 -171.04 3.57 -9.24 -1.09 0
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441146 135233292 1 ON5C26H39 AB5C26D39 -37.1 7.57 -8.21 -0.04 0
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441147 135233298 1 NO6C17H23 AB6C17D23 -249.39 7.52 -9.36 -0.89 0
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441148 135233308 1 O3N5C22H31 A3B5C22D31 -14.49 6.77 -8.42 -0.68 0
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441149 135233309 1 SC14H16 AB14C16 29.43 1.44 -8.51 -0.63 0
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441150 135233349 1 ClO4N6C30H39 AB4C6D30E39 -130.1 4.34 -8.69 -0.8 0
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441151 135233350 1 O2N3C16H23 A2B3C16D23 -59.25 4.88 -8.7 -0.44 1