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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441002 135232644 1 OSN3H7C8 ABC3D7E8 34.18 3.42 -8.76 -0.94 0
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441003 135232652 1 OPN3C8H8 ABC3D8E8 33.03 3.41 -9.02 -0.84 0
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441004 135232654 1 N3C10H13 A3B10C13 53.23 3.5 -8.17 -0.08 0
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441005 135232656 1 PSN3C9H10 ABC3D9E10 55.32 1.52 -8.59 -1.16 0
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441006 135232658 1 ISN3H6C8 ABC3D6E8 89.53 3.75 -9.02 -1.64 0
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441007 135232676 1 SN4O25C48H74 AB4C25D48E74 -1093.63 6.02 -9.22 -1.08 0
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441008 135232678 1 FON4H7C8 ABC4D7E8 19.57 3.08 -9.57 -1.37 0
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441009 135232682 1 IN4H7C8 AB4C7D8 100.74 1.53 -8.7 -1.23 0
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441010 135232686 1 N5O30C46H77 A5B30C46D77 -1382.74 22.65 -9.56 -0.3 0
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441011 135232699 1 SN4O24C46H80 AB4C24D46E80 -1133.53 7.61 -9.54 -1.23 0
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441012 135232701 1 N5O27C43H71 A5B27C43D71 -1253.4 3.87 -9.4 0.33 0
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441013 135232707 1 N5O30C47H79 A5B30C47D79 -1384.94 20.79 -8.9 -0.26 0
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441014 135232713 1 N4O20C31H54 A4B20C31D54 -923.03 10.09 -9.28 0.05 0
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441015 135232714 1 SN5O32C45H77 AB5C32D45E77 -1442.1 18.63 -9.35 -1.53 0
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441016 135232717 1 N5O31C62H97 A5B31C62D97 -1421.74 13.92 -8.82 -0.05 0
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441017 135232718 1 N5O27C56H87 A5B27C56D87 -1189.97 8.65 -9.24 -0.43 0
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441018 135232720 1 SN5O32C46H79 AB5C32D46E79 -1441.94 16.98 -8.84 -1.4 0
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441019 135232725 1 N5O30C47H79 A5B30C47D79 -1376.72 19.74 -9.34 -0.22 0
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441020 135232726 3 NC4H5 AB4C5 48.68 1.92 -8.76 -0.43 0
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441021 135232727 1 N3C14H17 A3B14C17 69.12 2.73 -8.29 -0.43 0
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441022 135232732 1 F3N3O7H12C17 A3B3C7D12E17 -307.88 2.15 -10.06 -2.06 0
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441023 135232734 1 N4C9H10 A4B9C10 52.42 4.07 -8.63 -0.42 0
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441024 135232755 1 ON3C14H21 AB3C14D21 -29.31 4.53 -8.99 -0.2 0
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441025 135232762 1 OSN2H6C8 ABC2D6E8 89.96 8.65 -8.18 -2.02 0
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441026 135232765 1 PN4C9H11 AB4C9D11 77.88 2.75 -8.42 -0.6 0
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441027 135232767 1 NC30H37 AB30C37 29.57 2.22 -8.38 0.15 0
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441028 135232768 1 SN2O2C31H32 AB2C2D31E32 77.14 3.94 -8.4 -1.65 0
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441029 135232769 1 ClON3C28H34 ABC3D28E34 42.3 4.55 -8.89 -0.95 0
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441030 135232770 1 FON4H5C7 ABC4D5E7 22.06 4.09 -9.77 -1.56 0
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441031 135232771 1 N3C10H11 A3B10C11 60.32 2.41 -8.89 -0.7 0
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441032 135232772 2 NOC14H16 ABC14D16 5.46 1.83 -9.07 -0.37 0
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441033 135232774 1 NSO5C19H19 ABC5D19E19 -127.67 4.31 -8.53 -0.3 0
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441034 135232776 1 SN3O3C18H27 AB3C3D18E27 -86.84 7.67 -7.9 -0.51 0
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441035 135232779 1 N4C11H12 A4B11C12 66.28 0.74 -9.27 -0.75 0
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441036 135232787 2 NO3F6H13C19 AB3C6D13E19 -764.74 3.62 -9.31 -2.29 0
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441037 135232788 1 N5C8H9 A5B8C9 83.23 2.88 -8.19 -0.55 1
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441038 135232799 1 PN7O8C42H51 AB7C8D42E51 -227.76 37.89 0.0 0.0 0
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441039 135232804 1 F3O3N5H28C30 A3B3C5D28E30 -192.13 3.31 -9.02 -0.28 0
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441040 135232805 1 ClSN3H8C9 ABC3D8E9 68.94 2.26 -8.44 -0.92 0
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441041 135232812 1 SN3C11H13 AB3C11D13 55.24 1.9 -8.4 -0.96 0
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441042 135232855 1 ClF3O3N5H29C30 AB3C3D5E29F30 -210.39 5.88 -9.37 -0.96 0
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441043 135232860 1 ClOF2N3C22H22 ABC2D3E22F22 -88.93 3.47 -8.58 -0.28 0
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441044 135232862 1 N3C11H13 A3B11C13 71.14 1.77 -9.44 -0.52 0
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441045 135232864 1 F2O2N3C16H25 A2B2C3D16E25 -159.18 2.6 -9.07 -0.17 0
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441046 135232865 1 ON2C7H12 AB2C7D12 -26.98 4.88 -9.18 0.79 0
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441047 135232871 1 N5C9H13 A5B9C13 92.15 3.32 -8.52 0.06 0
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441048 135232872 1 OSN3C19H27 ABC3D19E27 -20.17 2.58 -8.84 -0.43 0
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441049 135232876 1 O2N3C12H23 A2B3C12D23 -72.35 3.08 -8.83 0.47 0
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441050 135232877 1 ClF4O4N5H24C29 AB4C4D5E24F29 -258.36 5.49 -9.27 -1.13 0
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441051 135232878 1 ClF3O4N5H29C31 AB3C4D5E29F31 -243.59 7.28 -9.64 -1.15 1