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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146970 53776839 2 O2N3H23C25 A2B3C23D25 83.46 2.0 -8.71 -0.4 0
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146971 53776843 1 O5C24H26 A5B24C26 -113.84 5.49 -9.28 -0.82 0
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146972 53776845 2 NO2C10H11 AB2C10D11 -124.71 4.82 -9.2 -1.05 0
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146973 53776849 1 O3F4N4H22C26 A3B4C4D22E26 -176.38 1.96 -8.68 -0.93 0
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146974 53776857 1 SN3O3C17H21 AB3C3D17E21 -79.34 0.69 -9.19 -0.53 0
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146975 53776873 1 NO2C14H21 AB2C14D21 -76.38 3.8 -8.17 0.31 0
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146976 53776894 1 N2O2H18C21 A2B2C18D21 29.22 5.27 -8.85 -0.46 0
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146977 53776896 1 O3C23H48 A3B23C48 -238.58 3.86 -10.01 2.72 0
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146978 53776899 1 NO7C30H41 AB7C30D41 -303.16 5.52 -9.62 -0.04 0
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146979 53776904 1 BrClO2C4H6 ABC2D4E6 -88.19 2.64 -10.31 -0.79 0
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146980 53776905 1 SO3N4C22H26 AB3C4D22E26 -77.35 8.84 -8.46 -0.31 0
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146981 53776909 1 SO3C7H10 AB3C7D10 -129.44 2.66 -9.14 -0.41 0
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146982 53776912 1 SBr2O4H20C28 AB2C4D20E28 -51.58 4.66 -9.92 -1.14 1
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146983 53776914 1 S2O3N4C32H37 A2B3C4D32E37 -31.11 4.76 0.0 0.0 0
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146984 53776918 1 O3H32C34 A3B32C34 -44.24 2.71 -9.4 -0.18 0
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146985 53776920 1 N5O5C22H25 A5B5C22D25 -97.06 2.55 -7.4 -0.22 0
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146986 53776921 1 NO2C12H13 AB2C12D13 -45.58 3.64 -8.1 -0.55 0
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146987 53776923 1 SO2N3H9C11 AB2C3D9E11 46.86 4.5 -9.13 -1.63 0
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146988 53776931 1 SN6O7C27H34 AB6C7D27E34 -212.51 6.59 -8.68 -0.84 0
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146989 53776933 1 ON5C22H25 AB5C22D25 98.05 4.6 -8.31 -0.88 0
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146990 53776935 1 NO3S3H11C13 AB3C3D11E13 -41.53 2.9 -8.71 -1.37 0
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146991 53776943 1 N2O3S3H18C20 A2B3C3D18E20 3.49 3.11 -8.26 -1.09 0
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146992 53776957 1 NSO2C26H29 ABC2D26E29 -29.24 3.83 -8.86 -0.75 0
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146993 53776958 1 BrO2C15H15 AB2C15D15 -46.99 2.93 -8.97 -0.6 0
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146994 53776963 1 N2O5C21H38 A2B5C21D38 -279.59 7.95 -9.83 -0.01 0
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146995 53776966 1 FNO2C9H10 ABC2D9E10 -100.49 4.0 -9.49 -0.29 0
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146996 53776968 2 O2C15H21 A2B15C21 -202.75 5.58 -8.83 -0.02 0
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146998 53776985 1 O4C23H36 A4B23C36 -183.11 2.97 -9.44 0.57 0
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146999 53776989 2 OC7H7 AB7C7 -34.46 1.95 -8.59 -0.03 0
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147000 53776992 1 S4O5N6H52C70 A4B5C6D52E70 209.03 3.4 -8.8 -1.0 1
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147001 53776997 1 N2O4C30H41 A2B4C30D41 -123.11 2.92 0.0 0.0 0
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147002 53776999 1 NOC19H31 ABC19D31 -101.67 5.26 -9.49 1.39 0
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147003 53777009 2 ON2C9H9 AB2C9D9 44.35 7.69 -9.2 -0.8 0
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147004 53777015 1 ClN2O4H17C19 AB2C4D17E19 -80.42 5.34 -9.07 -0.58 0
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147005 53777018 2 C28H57 A28B57 -265.74 0.18 -10.02 3.87 0
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147006 53777020 1 FN3O3H22C23 AB3C3D22E23 -104.96 13.22 -9.06 -0.97 0
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147007 53777026 1 ClPSN5O7C35H63 ABCD5E7F35G63 -415.97 8.83 -8.98 -0.77 0
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147008 53777027 2 N2O2C9H16 A2B2C9D16 -205.24 3.14 -9.26 -0.52 0
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147009 53777031 1 N3O3C14H21 A3B3C14D21 -110.27 6.74 -9.37 -0.41 0
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147010 53777032 1 IO6C26H37 AB6C26D37 -269.62 1.93 -8.64 -0.9 0
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147011 53777036 4 ON2C6H6 AB2C6D6 4.74 1.82 -9.02 -1.34 0
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147012 53777039 1 FC14H21 AB14C21 -68.71 2.09 -9.56 0.08 0
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147013 53777043 1 NO3H19C20 AB3C19D20 -37.05 3.35 -8.38 -0.22 0
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147014 53777044 1 N5C7H7 A5B7C7 100.31 1.58 -8.78 -0.33 0
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147015 53777048 2 NOC7H8 ABC7D8 -34.04 7.05 -9.08 -0.73 0
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147016 53777059 1 N4O4H22C23 A4B4C22D23 3.91 8.44 -9.4 -1.43 0
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147017 53777062 1 O5C14H18 A5B14C18 -204.82 2.88 -9.72 -0.69 0
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147018 53777072 1 SN2C6O6H12 AB2C6D6E12 -196.72 2.44 -10.08 -0.4 0
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147019 53777080 1 SF3O5C9H11 AB3C5D9E11 -358.92 5.17 -9.94 -1.64 0
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147020 53777084 1 SCl2N2O5H20C22 AB2C2D5E20F22 -143.53 2.31 -9.49 -1.2 0
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147021 53777089 1 Cl2N2O4H18C21 A2B2C4D18E21 -82.35 5.24 -9.03 -0.86 0
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147022 53777093 1 Cl2N2O2C23H24 A2B2C2D23E24 -41.72 4.81 -9.17 -1.19 0
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147023 53777094 1 NO3C6H9 AB3C6D9 -116.45 6.92 -10.13 -0.51 0
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147024 53777095 1 O3C20H26 A3B20C26 -76.19 2.74 -8.74 0.22 0
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147025 53777096 1 NC21H25 AB21C25 34.35 0.78 -8.51 0.13 0
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147026 53777102 2 HC2F3 AB2C3 -278.27 2.58 -11.39 -0.62 0
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147027 53777104 1 NO3C10H23 AB3C10D23 -176.27 2.96 -8.82 2.06 0
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147028 53777106 1 SiF2C30H35 AB2C30D35 -43.6 3.27 0.0 0.0 0
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147029 53785870 1 N3O6C43H69 A3B6C43D69 -189.68 6.11 -8.67 -0.98 0
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147030 53785926 1 ClFOSN3C24H29 ABCDE3F24G29 -43.25 4.74 -8.36 -0.44 0
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147031 53785927 1 SN2O5C8H12 AB2C5D8E12 -220.19 4.87 -11.33 -1.0 0
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147032 53785954 1 N2O4F6C29H36 A2B4C6D29E36 -474.24 5.46 -8.19 -1.1 0
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147033 53785971 1 OC11H14 AB11C14 -42.32 1.02 -8.41 0.54 0
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147034 53785991 1 O2C19H36 A2B19C36 -153.17 2.89 -9.57 0.14 0
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147035 53786061 1 SO3N4C8H8 AB3C4D8E8 -63.88 4.42 -9.41 -1.03 1
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147036 53786179 1 ClO3N7C25H27 AB3C7D25E27 -27.74 6.68 0.0 0.0 0
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147037 53786180 1 N2O3C28H52 A2B3C28D52 -205.94 4.03 -8.34 0.66 0
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147038 53786182 1 BrO4H13C16 AB4C13D16 -101.63 3.76 -7.79 -0.88 0
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147039 53786192 1 ON7C27H27 AB7C27D27 116.19 7.26 -8.43 -0.77 0
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147040 53786197 1 IO2C16H23 AB2C16D23 -88.59 3.6 -8.39 -0.7 0
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147041 53786223 1 SN3C10H15 AB3C10D15 49.25 3.39 -8.64 -0.37 0
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147042 53786510 1 O4H20C23 A4B20C23 -89.92 1.59 -8.34 -0.74 0
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147043 53786517 1 NS2C12H15 AB2C12D15 40.82 3.35 -8.52 -0.38 0
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147044 53786520 1 O7C12H20 A7B12C20 -332.41 1.27 -10.17 0.84 0
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147045 53786522 1 NO5C9H17 AB5C9D17 -237.09 1.95 -9.9 0.88 0
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147046 53786523 1 SN2O2C5H8 AB2C2D5E8 -64.26 3.92 -9.24 -0.24 0
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147047 53786524 1 SCl2N2H18C20 AB2C2D18E20 68.65 5.04 -8.99 -0.76 0
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147048 53786530 2 OF3H10C12 AB3C10D12 -351.85 3.09 -9.48 -1.26 0
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147049 53786536 1 FOC23H33 ABC23D33 -96.29 4.77 -8.46 -0.54 0
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147050 53786537 1 O2C17H34 A2B17C34 -61.58 1.33 -9.03 0.64 1
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147051 53786538 1 NO3H24C25 AB3C24D25 -56.31 2.25 0.0 0.0 0
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147052 53786542 1 NO4C25H29 AB4C25D29 -99.54 1.63 -8.17 -0.42 0
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147053 53786544 1 SN2O4C13H20 AB2C4D13E20 -170.83 5.34 -9.13 -0.49 0
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147054 53786555 1 ON2C9H16 AB2C9D16 -25.35 2.46 -10.08 0.79 0
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147055 53786562 1 OC35H46 AB35C46 -3.2 1.09 -8.53 0.13 0
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147056 53786566 2 C9H10 A9B10 31.65 1.5 -9.02 0.3 0
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147057 53786569 1 S2Cl3N4O6H19C20 A2B3C4D6E19F20 -171.27 8.45 -8.59 -1.46 0
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147058 53786571 4 OC2H2 AB2C2 -106.63 0.23 -9.46 -0.74 0
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147059 53786582 1 OCl2N4H12C19 AB2C4D12E19 90.27 4.31 -9.17 -1.33 0
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147060 53786583 1 FN3O5C18H22 AB3C5D18E22 -241.53 6.17 -9.28 -0.59 0
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147061 53786589 1 PN2O6C19H25 AB2C6D19E25 -213.32 3.22 -9.45 -0.6 0
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147062 53786601 1 NO3C8H19 AB3C8D19 -142.82 1.28 -8.79 1.34 0
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147063 53786618 1 N2O2C33H48 A2B2C33D48 -131.17 4.16 -8.59 0.27 0
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147064 53786629 1 N2O2C9H14 A2B2C9D14 -78.91 3.58 -9.81 0.58 0
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147065 53786632 1 BrClN2S3O6H26C32 ABC2D3E6F26G32 -130.89 5.9 -9.07 -1.17 0
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147066 53786653 1 NO11C14H25 AB11C14D25 -481.94 2.51 -10.2 -0.88 0
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147067 53786655 1 SN2O3H8C9 AB2C3D8E9 -13.29 7.39 -9.5 -1.43 0
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147068 53786666 1 BrCl2F4O4H13C17 AB2C4D4E13F17 -326.21 3.23 -9.01 -1.82 0
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147069 53786667 1 NSO4C15H23 ABC4D15E23 -183.79 6.69 -8.75 -0.02 0
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147070 53786671 1 O2N4H16C21 A2B4C16D21 19.3 4.05 -9.16 -1.34 0