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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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440070 135229955 1 NO2H35C57 AB2C35D57 183.37 1.31 -8.15 -0.72 0
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440071 135229956 1 OH52C84 AB52C84 316.81 0.33 -8.41 -0.68 0
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440072 135229957 1 FN2C15H21 AB2C15D21 -14.28 1.95 -8.38 0.11 0
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440073 135229958 1 NOH45C66 ABC45D66 219.56 1.46 -8.07 -0.67 0
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440074 135229959 1 NO2H41C70 AB2C41D70 246.29 1.62 -8.38 -0.7 0
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440075 135229960 1 IN3C8H10 AB3C8D10 56.68 1.97 -9.3 -1.45 0
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440076 135229961 1 O2N3C13H19 A2B3C13D19 -64.96 2.27 -8.37 0.31 0
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440077 135229962 1 F2O2N7C24H27 A2B2C7D24E27 -47.37 3.3 -8.7 -0.4 0
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440078 135229963 1 NH55C79 AB55C79 293.29 1.32 -7.95 -0.68 0
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440079 135229964 1 N3C7H15 A3B7C15 38.17 1.33 -8.69 0.41 0
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440080 135229965 1 FOP2N4C27H33 ABC2D4E27F33 -8.34 4.86 -7.22 -0.34 0
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440081 135229966 1 NOH55C89 ABC55D89 352.15 0.81 -8.11 -0.69 0
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440082 135229968 1 O2N3C11H19 A2B3C11D19 -102.45 4.05 -9.1 0.03 0
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440083 135229969 1 PN3C12H24 AB3C12D24 12.52 3.05 -8.68 0.39 0
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440084 135229970 1 ClF3N4H18C19 AB3C4D18E19 -63.59 3.33 -8.95 -0.97 0
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440085 135229975 1 PO2N3C13H16 AB2C3D13E16 -32.28 4.24 -9.02 -0.93 0
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440086 135229976 1 NSC9H17 ABC9D17 1.21 2.2 -8.86 0.55 0
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440087 135229987 1 OF2N3C28H35 AB2C3D28E35 -48.36 0.98 -8.33 -0.45 0
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440088 135229988 1 IN4C6H7 AB4C6D7 70.79 6.05 -8.66 -1.2 0
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440089 135229989 2 FNSO2C9H9 ABCD2E9F9 -178.01 4.43 -9.13 -1.04 0
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440090 135229990 1 N4C13H22 A4B13C22 23.95 1.84 -8.85 -0.53 0
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440091 135229991 1 N2C13H26 A2B13C26 -26.19 1.47 -8.66 2.68 0
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440092 135229992 1 ClFO2N6C29H32 ABC2D6E29F32 -23.1 5.45 -8.95 -0.98 0
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440093 135229993 1 NOPC11H12 ABCD11E12 -15.69 6.95 -8.43 -0.68 0
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440094 135229994 1 NC12H17 AB12C17 16.7 1.59 -8.01 0.46 0
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440095 135229995 1 NOC9H17 ABC9D17 -22.63 0.96 -8.85 0.98 0
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440096 135229996 1 PN2O3C10H15 AB2C3D10E15 -113.68 2.54 -9.59 -1.58 0
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440097 135229997 1 ClOF2N6C24H27 ABC2D6E24F27 -34.54 6.25 -8.3 -1.03 0
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440098 135229998 1 OF3N3C31H34 AB3C3D31E34 -108.66 5.49 -8.58 -0.75 0
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440099 135229999 1 ION3C10H12 ABC3D10E12 17.21 3.39 -9.22 -1.44 0
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440100 135230000 1 PN2C10H21 AB2C10D21 18.47 3.62 -6.72 2.38 0
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440101 135230001 1 ClF2N6C24H25 AB2C6D24E25 7.61 3.47 -8.19 -0.71 0
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440102 135230002 1 ClF2N7C21H24 AB2C7D21E24 0.25 3.64 -7.96 -0.82 0
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440103 135230003 2 FNSO2C9H9 ABCD2E9F9 -180.01 3.83 -9.1 -0.99 0
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440104 135230004 1 OF2N8C29H32 AB2C8D29E32 -18.05 4.02 -8.14 -0.7 0
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440105 135230005 1 OF2N6C27H32 AB2C6D27E32 -38.76 2.66 -8.24 -0.41 0
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440106 135230006 1 ON2C20H28 AB2C20D28 -35.67 4.25 -8.84 -0.51 0
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440107 135230007 1 SN2H40C55 AB2C40D55 288.35 3.06 -6.86 -0.15 0
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440108 135230008 1 F4N5O9C41H43 A4B5C9D41E43 -530.42 5.94 -9.26 -1.48 0
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440109 135230009 1 NC15H33 AB15C33 -61.3 1.76 -9.32 3.52 0
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440110 135230010 1 ClOF2N5C29H34 ABC2D5E29F34 -66.5 1.81 -8.22 -0.6 0
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440111 135230011 1 N3Cl4O5H25C27 A3B4C5D25E27 -189.31 7.89 -8.8 -1.01 0
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440112 135230012 1 N3O4C19H27 A3B4C19D27 -166.89 7.79 -8.96 -0.13 0
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440113 135230013 1 SN3C24H37 AB3C24D37 21.39 3.74 -8.33 0.3 0
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440114 135230014 1 NOSH27C37 ABCD27E37 169.61 3.51 -7.29 -0.97 0
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440115 135230015 1 SCl2N2O4C33H46 AB2C2D4E33F46 -199.6 6.72 -8.57 -1.13 0
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440116 135230016 2 ClNO2C17H23 ABC2D17E23 -214.99 8.91 -8.8 -1.05 0
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440117 135230017 1 Cl2N2O5C36H50 A2B2C5D36E50 -263.28 5.87 -8.68 -0.82 0
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440118 135230018 1 F4N7O11C54H55 A4B7C11D54E55 -592.77 6.18 -9.24 -1.49 0
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440119 135230019 1 F4N5O9H37C38 A4B5C9D37E38 -519.23 4.04 -9.7 -1.43 0
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440120 135230020 1 SN2H40C55 AB2C40D55 284.47 1.9 -7.02 -0.04 0
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440121 135230021 1 O9C50H90 A9B50C90 -518.02 4.65 -10.03 0.44 0
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440122 135230022 1 O19C108H188 A19B108C188 -1052.46 6.48 -8.63 0.06 0
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440123 135230023 1 O2N3C13H23 A2B3C13D23 -74.24 3.18 -8.38 0.84 0
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440124 135230024 2 FNSO2C9H9 ABCD2E9F9 -180.71 7.66 -9.01 -0.98 0
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440125 135230025 1 PN2O2C20H27 AB2C2D20E27 -110.21 5.29 -7.68 0.44 0
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440126 135230026 1 NS2O5C10H15 AB2C5D10E15 -225.73 4.73 -9.37 -1.48 0
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440127 135230027 1 NSO3C26H41 ABC3D26E41 -177.72 5.96 -8.95 -0.42 0
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440128 135230028 1 O2S2C13H20 A2B2C13D20 -64.02 5.59 -9.43 -1.52 0
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440129 135230029 1 O2C15H20 A2B15C20 -62.12 1.96 -9.67 -1.45 0
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440130 135230030 1 Cl2N2O4C15H20 A2B2C4D15E20 -199.04 5.97 -9.72 -0.73 0
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440131 135230031 1 ClO6C25H31 AB6C25D31 -223.59 2.15 -8.9 -0.42 1
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440132 135230032 1 O2N3C12H22 A2B3C12D22 -50.38 2.54 0.0 0.0 0
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440133 135230033 1 NC15H23 AB15C23 46.81 2.0 -8.36 0.72 0
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440134 135230034 1 OSN2H42C55 ABC2D42E55 244.15 0.95 -7.06 -0.22 0
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440135 135230035 1 SF2N2O4H16C19 AB2C2D4E16F19 -197.6 7.98 -9.02 -1.54 0
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440136 135230036 1 N3O5C35H53 A3B5C35D53 -268.27 4.1 -9.3 -0.38 0
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440137 135230037 1 SN3O5C32H47 AB3C5D32E47 -248.8 3.58 -8.4 -0.43 0
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440138 135230038 1 N2F3O4C32H43 A2B3C4D32E43 -357.96 5.7 -9.13 -0.88 0
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440139 135230039 1 F4N7O10H49C50 A4B7C10D49E50 -523.42 9.47 -9.36 -1.14 0
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440140 135230040 1 N2F3O4C34H47 A2B3C4D34E47 -361.75 6.76 -9.22 -1.03 1
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440141 135230041 1 O5N6C30H43 A5B6C30D43 -171.11 9.4 0.0 0.0 0
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440142 135230042 2 ClNO2C16H21 ABC2D16E21 -208.64 4.68 -8.82 -1.05 0
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440143 135230043 1 F4N7O10C54H57 A4B7C10D54E57 -546.64 9.62 -9.32 -0.86 0
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440144 135230044 1 N2O3C17H24 A2B3C17D24 -85.19 7.34 -8.57 -0.88 0