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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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315974 126629520 1 N3H41C67 A3B41C67 315.32 1.54 -8.06 -0.56 0
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315975 126629525 1 N2H46C67 A2B46C67 257.16 0.44 -7.94 -0.57 0
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315976 126629527 1 O2N3H43C73 A2B3C43D73 285.23 3.94 -7.77 -0.76 0
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315977 126629538 1 OS2N4C16H20 AB2C4D16E20 59.07 5.67 -7.67 -0.46 0
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315978 126629539 1 NC8H13 AB8C13 29.45 2.4 -9.19 -0.1 0
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315979 126629542 1 N4O7C37H54 A4B7C37D54 -302.36 7.58 -9.12 -0.62 0
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315980 126629543 1 ClN2F3H6C8 AB2C3D6E8 -71.13 3.74 -10.45 -1.4 1
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315983 126629551 1 N2O7C26H49 A2B7C26D49 -349.42 9.62 0.0 0.0 1
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315984 126629552 1 SN7O13C42H76 AB7C13D42E76 -558.0 13.94 0.0 0.0 0
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315985 126629559 1 N7O7C28H33 A7B7C28D33 -232.53 13.41 -8.91 -1.53 0
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315988 126629568 1 FO2N6C25H35 AB2C6D25E35 -46.88 4.73 -8.66 -0.55 0
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315990 126629575 1 ClOSN3C25H30 ABCD3E25F30 35.74 4.21 -8.1 -0.07 0
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315993 126629579 1 FNC10H16 ABC10D16 -40.08 2.95 -8.54 0.23 0
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315995 126629589 1 N2O3C21H40 A2B3C21D40 -223.19 2.48 -9.68 0.98 0
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315996 126629590 1 Cl3N4O4C16H27 A3B4C4D16E27 -207.66 4.56 -9.11 -0.49 0
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315998 126629593 1 FC9H15 AB9C15 -54.77 1.77 -9.35 0.86 0
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316000 126629596 2 O2C9H11 A2B9C11 -128.17 1.93 -8.12 0.24 0
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316001 126629600 1 O3C16H18 A3B16C18 -106.21 2.22 -8.63 0.13 0
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316003 126629608 1 N4C15H20 A4B15C20 67.65 2.15 -8.82 -0.6 0
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316004 126629609 1 N6C13H16 A6B13C16 145.23 1.86 -8.44 -1.64 0
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316005 126629612 1 FON6C24H33 ABC6D24E33 -12.81 3.03 -8.54 -0.48 0
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316007 126629616 1 NPSO4C7H16 ABCD4E7F16 -262.78 1.07 -9.62 -0.19 0
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316008 126629618 1 ClON5C14H20 ABC5D14E20 5.18 3.73 -7.96 -0.05 0
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316010 126629624 1 BrClPN4O10C24H31 ABCD4E10F24G31 -490.61 8.36 -9.47 -0.72 0
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316011 126629625 1 BrClPN3O10C22H28 ABCD3E10F22G28 -473.38 7.05 -9.1 -1.58 0
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316015 126629666 3 NH11C16 AB11C16 221.64 3.82 -7.72 -0.57 0
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316017 126629669 1 ClSO5N7C24H34 ABC5D7E24F34 -124.03 8.7 -8.03 -0.41 0
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316019 126629675 1 O5N6C34H48 A5B6C34D48 -169.25 4.65 -9.19 -1.05 0
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316020 126629676 1 Cl2O2F3N3H6C9 A2B2C3D3E6F9 -179.51 3.9 -10.16 -1.55 0
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316021 126629679 1 SCl2N3O3C9H11 AB2C3D3E9F11 -95.17 4.95 -9.67 -1.08 0
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316022 126629680 1 ClFSN3O3C9H11 ABCD3E3F9G11 -129.67 5.12 -9.89 -1.05 0
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316024 126629682 1 Cl2O2F3N3H10C11 A2B2C3D3E10F11 -208.21 4.79 -9.82 -1.24 0
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316025 126629685 1 ClFSO2N4C8H10 ABCD2E4F8G10 -71.74 6.27 -9.67 -0.98 0
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316026 126629693 1 ClSO4N8C27H41 ABC4D8E27F41 -134.75 9.39 -7.89 -0.21 0
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316030 126629714 1 NO2H17C24 AB2C17D24 46.71 0.99 -7.99 -0.4 0
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316031 126629715 1 NO2H29C39 AB2C29D39 81.44 0.59 -7.9 -0.52 0
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316032 126629716 2 NOH12C16 ABC12D16 67.47 4.03 -8.22 -0.67 0
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316034 126629724 1 NO2H29C39 AB2C29D39 81.19 0.4 -7.9 -0.5 0
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316037 126629728 1 O2N3H31C48 A2B3C31D48 164.89 3.57 -7.83 -0.59 0
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316038 126629733 1 NO3H23C36 AB3C23D36 67.33 1.54 -8.04 -0.72 0
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316040 126629736 2 NOH13C20 ABC13D20 123.85 1.34 -7.8 -0.6 0
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316041 126629737 1 NO2H25C38 AB2C25D38 99.74 0.38 -7.95 -0.68 0
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316042 126629738 1 NO2H35C53 AB2C35D53 167.78 0.54 -7.95 -0.58 0
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316043 126629739 1 FN2O2H27C42 AB2C2D27E42 80.79 3.36 -7.83 -0.55 0
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316046 126629764 1 NO4H21C36 AB4C21D36 43.49 1.48 -8.04 -0.81 0
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316047 126629765 1 NO4H21C36 AB4C21D36 42.19 1.51 -8.1 -0.82 0
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316048 126629774 1 NO4H23C36 AB4C23D36 36.38 0.58 -8.01 -0.61 0
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316049 126629794 1 N2O2H38C55 A2B2C38D55 159.32 2.06 -7.75 -0.65 0
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316050 126629808 1 NO3H31C49 AB3C31D49 125.8 1.44 -8.0 -0.75 0
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316051 126629815 1 NO5H21C36 AB5C21D36 11.15 1.48 -8.05 -0.79 0
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316052 126629816 1 NO3H27C42 AB3C27D42 94.03 0.81 -8.12 -0.62 0
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316053 126629817 1 NO4H31C49 AB4C31D49 98.25 0.26 -7.94 -0.63 0
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316054 126629823 1 NO3H31C45 AB3C31D45 80.15 1.45 -7.96 -0.68 0
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316055 126629825 1 FN2O2H31C48 AB2C2D31E48 105.37 3.21 -7.78 -0.57 0
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316056 126629835 1 FO2C12H13 AB2C12D13 -96.38 5.02 -9.12 -0.56 0
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316057 126629836 1 NO5C13H21 AB5C13D21 -244.88 2.15 -10.13 0.05 0
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316060 126629842 2 BrN2O2H8C10 AB2C2D8E10 -22.78 4.11 -9.59 -1.86 0
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316061 126629851 1 NO2H25C33 AB2C25D33 52.05 0.48 -7.95 -0.56 0
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316063 126629857 1 ON2H42C60 AB2C42D60 224.07 2.31 -7.78 -0.46 0
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316064 126629858 1 N5O6C31H49 A5B6C31D49 -267.85 10.5 -8.85 -0.06 0
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316065 126629875 1 NO2C9H17 AB2C9D17 -93.05 4.88 -9.92 0.94 0
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316066 126629883 1 N5O5C31H41 A5B5C31D41 -161.81 3.01 -8.74 -0.87 0
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316067 126629903 1 ClN5O6C36H46 AB5C6D36E46 -245.21 2.52 -9.05 -0.95 0
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316068 126629906 1 N5O6C31H43 A5B6C31D43 -242.88 4.59 -8.74 -0.89 0
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316069 126629925 1 NF3C9H10 AB3C9D10 -107.41 4.17 -9.75 -0.44 0
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316070 126629927 1 Cl3N5O6C31H40 A3B5C6D31E40 -256.43 3.86 -9.14 -0.55 0
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316071 126629928 1 FIOC3H4 ABCD3E4 -56.35 0.5 -10.29 -1.68 0
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316072 126629930 1 N4O5C20H36 A4B5C20D36 -254.07 1.39 -8.62 0.32 0
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316073 126629935 1 ClN4O6C22H39 AB4C6D22E39 -333.17 1.79 -8.94 0.34 0
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316075 126629942 1 N5O5C28H43 A5B5C28D43 -208.54 6.84 -8.78 -0.1 0
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316076 126629955 1 O5C18H30 A5B18C30 -234.22 1.16 -9.84 -0.12 0
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316077 126629958 1 Cl3N5O6C31H40 A3B5C6D31E40 -258.57 2.31 -9.34 -0.62 0
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316078 126629959 1 N5O6C29H39 A5B6C29D39 -227.75 4.65 -9.31 -0.56 0
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316079 126629960 1 Cl3N5O5C32H42 A3B5C5D32E42 -221.37 3.63 -9.2 -0.55 0
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316080 126629970 1 Cl3N3O4C18H30 A3B3C4D18E30 -228.3 2.8 -9.27 -0.45 0