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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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299776 117689320 1 ON5C22H23 AB5C22D23 85.66 4.28 -8.5 -0.8 0
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299777 117689355 1 ON2H12C17 AB2C12D17 47.83 6.44 -8.95 -1.12 0
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299778 117689359 1 N3O3H23C24 A3B3C23D24 6.34 9.37 -8.63 -0.69 0
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299779 117689364 1 ClION3H11C13 ABCD3E11F13 65.95 4.78 -9.05 -1.32 0
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299780 117689394 1 BrN2O2C7H9 AB2C2D7E9 -35.37 2.1 -9.97 -0.47 0
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299781 117689395 1 O2N5H25C27 A2B5C25D27 85.22 6.31 -8.56 -0.3 0
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299782 117689410 1 N3O5C27H33 A3B5C27D33 -123.32 7.63 -8.82 -0.71 1
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299783 117689413 1 O2N5C16H18 A2B5C16D18 77.23 3.74 0.0 0.0 0
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299784 117689419 1 ON4C12H12 AB4C12D12 59.46 2.6 -9.11 -0.66 0
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299785 117695390 1 SCl2O14C32H32 AB2C14D32E32 -536.99 5.29 -9.58 -1.64 0
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299786 117695403 1 SF6O16H32C34 AB6C16D32E34 -923.42 5.58 -9.48 -2.1 0
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299787 117695441 1 N2O3F6C21H24 A2B3C6D21E24 -391.54 6.35 -9.3 -1.28 0
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299788 117695474 1 N4O4C19H24 A4B4C19D24 -95.71 8.49 -9.06 -0.9 0
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299789 117695484 2 ClNOC10H12 ABCD10E12 -48.36 5.25 -9.14 -0.49 3
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299790 117695575 1 C2O2F5N5P5H6 A2B2C5D5E5F6 -477.27 3.17 0.0 0.0 0
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299791 117695577 1 OC2P3F4N4H7 AB2C3D4E4F7 -298.42 3.22 -9.21 -0.62 0
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299792 117695582 1 FIN2O5C30H32 ABC2D5E30F32 -201.7 9.89 -9.1 -0.93 0
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299793 117695583 1 F2O2C4P4N5H16 A2B2C4D4E5F16 -297.32 9.89 0.0 0.0 0
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299794 117695585 1 O2N3C14H19 A2B3C14D19 -59.85 4.56 -9.04 -0.23 0
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299795 117695586 1 FN2O7C31H33 AB2C7D31E33 -297.82 5.55 -9.24 -0.82 0
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299796 117695590 1 FN4O6H35C41 AB4C6D35E41 -139.27 7.65 -9.02 -1.13 0
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299797 117695596 1 IN2O5C11H15 AB2C5D11E15 -173.21 6.49 -8.81 -1.17 0
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299798 117695609 2 NO2C8H13 AB2C8D13 -172.75 8.38 -8.37 -0.22 0
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299799 117695612 1 SF2N3O5H23C27 AB2C3D5E23F27 -215.54 5.88 -8.89 -1.16 0
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299800 117695616 1 FN2O5C30H41 AB2C5D30E41 -247.01 6.57 -8.66 0.09 0
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299801 117695623 1 BrO7C13H21 AB7C13D21 -312.31 4.28 -10.27 -0.79 0
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299802 117695693 2 O4N5C32H42 A4B5C32D42 -350.89 7.57 -9.16 -0.54 0
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299803 117695694 1 O7N10C54H78 A7B10C54D78 -315.35 13.4 -9.05 -0.3 0
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299804 117695695 1 N11O12C59H83 A11B12C59D83 -505.96 9.31 -9.64 -0.65 0
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299805 117695696 1 O8N9C61H93 A8B9C61D93 -431.79 6.16 -8.96 0.14 0
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299806 117695697 1 O8N9C65H85 A8B9C65D85 -339.91 5.45 -9.01 -0.77 0
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299807 117695699 1 O8N9C57H77 A8B9C57D77 -360.83 4.58 -8.86 -0.73 0
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299808 117695700 1 O8N9C64H87 A8B9C64D87 -334.06 6.25 -9.13 -0.92 0
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299809 117695703 1 N2C11H14 A2B11C14 50.6 2.05 -8.53 0.14 0
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299810 117695705 1 BrNPO3C14H15 ABCD3E14F15 -119.1 2.68 -9.99 -0.88 0
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299811 117695708 6 NOH8C9 ABC8D9 102.68 6.24 -8.2 -1.15 0
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299812 117695710 1 NPSO6C24H24 ABCD6E24F24 -168.25 10.55 -8.89 -0.88 0
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299813 117695712 1 PSN2O8C31H37 ABC2D8E31F37 -292.97 8.96 -8.98 -1.04 0
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299814 117695714 1 NPO8C29H36 ABC8D29E36 -319.13 4.3 -9.1 -0.56 0
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299815 117695716 1 PN2O7C32H37 AB2C7D32E37 -257.47 3.25 -8.78 -0.8 0
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299816 117695719 2 O3C8H13 A3B8C13 -289.81 5.26 -10.67 -0.41 0
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299817 117695752 1 F3O4N5C21H24 A3B4C5D21E24 -261.73 6.18 -9.29 -0.72 0
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299818 117695755 1 F2O3N4C23H26 A2B3C4D23E26 -146.1 5.54 -9.36 -0.54 0
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299819 117695758 1 O2F3N4C17H17 A2B3C4D17E17 -202.23 6.71 -9.65 -0.93 0
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299820 117695760 2 SN2O4C39H67 AB2C4D39E67 -553.01 6.52 -8.36 -1.1 0
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299821 117695770 1 N2C11H22 A2B11C22 -13.71 2.46 -8.82 1.44 0
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299822 117695773 1 O8C23H44 A8B23C44 -421.04 4.44 -9.65 0.39 0
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299823 117695774 1 O2C9H10 A2B9C10 -42.96 6.0 -9.61 -0.79 0
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299824 117695776 1 ClSO2N4H19C23 ABC2D4E19F23 17.25 6.7 -8.17 -0.88 0
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299825 117695777 1 ClNSO2H18C23 ABCD2E18F23 19.44 3.48 -8.61 -1.05 0