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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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164009 74381365 1 BrO3N4C27H27 AB3C4D27E27 -1.03 3.49 -9.32 -0.91 0
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164010 74381367 1 BrF3O3N4H22C25 AB3C3D4E22F25 -167.27 7.77 -9.33 -1.3 0
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164011 74381375 1 ClO2N4C21H25 AB2C4D21E25 -33.95 3.57 -9.18 -0.73 0
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164012 74381395 1 FON7H22C25 ABC7D22E25 59.31 7.54 -9.13 -1.13 0
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164013 74381410 1 ClON4C15H21 ABC4D15E21 -22.31 5.56 -8.35 0.2 0
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164014 74381418 1 NO5C12H17 AB5C12D17 -215.07 2.09 -9.48 0.16 0
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164016 74381450 1 SO3N4C19H20 AB3C4D19E20 -57.49 9.56 -8.72 -1.11 0
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164017 74381459 1 BrO3N5H26C29 AB3C5D26E29 17.67 5.01 -9.29 -1.35 0
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164018 74381460 1 ClO3N5H22C26 AB3C5D22E26 20.62 1.52 -9.05 -1.2 0
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164020 74381462 1 FO3N4H27C30 AB3C4D27E30 -40.4 10.27 -9.05 -1.06 0
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164021 74381490 1 O5N7C42H49 A5B7C42D49 -154.83 3.0 -8.7 -0.46 0
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164022 74381494 1 ClN3C17H24 AB3C17D24 26.44 3.84 -8.32 0.21 0
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164023 74381501 1 PN5O9C19H24 AB5C9D19E24 -369.47 7.88 -9.47 -0.94 1
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164024 74381514 1 N2O3C23H33 A2B3C23D33 -110.08 6.56 0.0 0.0 0
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164025 74381515 1 NO4C23H31 AB4C23D31 -159.4 13.05 -9.3 -0.36 1
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164027 74381534 1 O3C21H22 A3B21C22 -73.08 8.99 -9.15 -1.32 0
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164029 74381536 1 O2N3F7H22C26 A2B3C7D22E26 -381.11 5.16 -9.32 -1.03 0
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164030 74381537 1 O2N3F6H27C29 A2B3C6D27E29 -321.01 4.71 -8.95 -0.94 0
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164031 74381573 1 O2F3N5H24C25 A2B3C5D24E25 -87.43 6.07 -8.24 -0.69 0
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164032 74381574 1 ClF2O2N5H24C25 AB2C2D5E24F25 -47.87 4.87 -8.19 -0.63 0
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164033 74381575 1 OF3N6H23C25 AB3C6D23E25 -6.03 4.85 -8.36 -0.64 0
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164034 74381577 1 ClN2O2C20H21 AB2C2D20E21 -27.05 4.08 -9.04 -1.35 0
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164036 74381583 1 O14N17C50H75 A14B17C50D75 -594.76 7.2 -8.85 -0.39 0
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164037 74381585 1 BrON2C23H25 ABC2D23E25 31.11 2.19 -8.75 -0.84 0
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164038 74381586 1 ON6C25H32 AB6C25D32 22.83 2.93 -7.88 -0.35 0
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164039 74381599 1 BrFN3O3C29H31 ABC3D3E29F31 -99.32 4.01 -9.15 -1.07 0
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164040 74381602 1 BrO3N4C25H25 AB3C4D25E25 -23.63 2.3 -9.12 -0.97 0
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164042 74381608 1 SN3O12C20H33 AB3C12D20E33 -532.98 7.54 -9.85 -0.77 0
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164043 74381617 2 O4N5C31H41 A4B5C31D41 -347.99 5.65 -9.22 -0.98 0
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164044 74381630 1 O10N15C48H73 A10B15C48D73 -415.29 8.22 -8.64 -0.19 0
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164045 74381633 1 S3O4N5H17C22 A3B4C5D17E22 -15.85 5.73 -9.33 -1.26 0
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164046 74381637 1 S3O4N5H25C27 A3B4C5D25E27 -42.27 5.69 -9.17 -1.23 0
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164047 74381651 1 BrOSF3N4C22H24 ABCD3E4F22G24 -130.36 5.76 -9.41 -1.01 0
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164048 74381655 1 BrOSN3C14H18 ABCD3E14F18 23.59 3.29 -8.64 -1.96 0
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164049 74381659 1 SN3O3F4H19C25 AB3C3D4E19F25 -175.76 8.43 -9.46 -1.22 0
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164050 74381666 1 SO4N5H27C28 AB4C5D27E28 -24.08 8.1 -9.1 -1.68 0
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164051 74381668 1 F2O2N5C20H31 A2B2C5D20E31 -162.89 4.42 -8.92 0.32 0
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164052 74381677 1 N2O3C22H36 A2B3C22D36 -151.14 6.64 -8.4 -0.05 0
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164053 74381681 1 SN3O7C27H37 AB3C7D27E37 -261.99 5.0 -9.45 -0.65 0
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164054 74381691 1 Cl2N2O2H16C19 A2B2C2D16E19 -9.58 1.74 -9.14 -1.16 0
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164056 74381697 1 N2O8C27H38 A2B8C27D38 -325.12 2.69 -8.84 -0.36 0
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164057 74381698 1 FN2O8C29H35 AB2C8D29E35 -348.93 6.94 -8.38 -0.43 0
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164058 74381700 1 N4O4C23H34 A4B4C23D34 -174.16 5.46 -8.43 0.26 0
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164059 74381703 1 N2O2F3H13C17 A2B2C3D13E17 -167.14 1.77 -9.36 -1.64 0
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164060 74381709 1 ClNSO4H24C26 ABCD4E24F26 -113.82 4.7 -9.04 -0.52 0
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164061 74381713 1 N8O9C55H76 A8B9C55D76 -341.74 7.27 -9.14 -0.26 0
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164063 74381721 1 N4O4C27H42 A4B4C27D42 -200.06 6.85 -8.94 0.32 0
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164065 74381729 1 N3O3C23H25 A3B3C23D25 -73.66 4.77 -8.26 -0.18 0
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164066 74381734 1 N2O7C28H40 A2B7C28D40 -292.13 4.87 -8.54 -0.42 0
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164068 74381737 2 N2O2C13H16 A2B2C13D16 -110.67 3.76 -8.26 -0.63 0
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164069 74381749 1 SO3F4N4H20C25 AB3C4D4E20F25 -174.75 4.98 -8.71 -1.22 0
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164070 74381751 1 S2N3O3F4H17C23 A2B3C3D4E17F23 -169.33 4.82 -9.22 -1.33 0
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164073 74381767 1 N2O3C21H28 A2B3C21D28 -92.08 3.84 -8.48 -0.46 0
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164074 74381768 1 N2O3C23H32 A2B3C23D32 -107.92 5.62 -8.35 -0.09 0
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164076 74381790 1 BrON3F6H12C19 ABC3D6E12F19 -272.57 5.67 -10.23 -1.64 0
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164078 74381799 1 ClON3H14C15 ABC3D14E15 29.86 3.61 -8.85 -1.1 0
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164079 74381800 1 ClNSO4C25H30 ABCD4E25F30 -165.37 4.72 -9.22 -0.31 0
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164081 74381808 2 O4N5C32H38 A4B5C32D38 -258.46 11.84 -9.02 -0.85 0
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164083 74381826 1 N2S2F5O9C33H40 A2B2C5D9E33F40 -560.38 5.21 0.0 0.0 0
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164085 74381832 1 NO4C31H41 AB4C31D41 -167.51 1.68 -8.46 0.38 0
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164086 74381837 1 O2N4C17H22 A2B4C17D22 0.68 5.79 -8.72 -1.38 0
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164087 74381839 1 S4O5N6C24H24 A4B5C6D24E24 -37.68 8.25 -9.13 -1.99 0
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164088 74381844 1 F2O3N5C26H33 A2B3C5D26E33 -116.2 4.17 -9.0 -0.19 0
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164089 74381850 1 N2O3C19H32 A2B3C19D32 -137.7 4.2 -8.47 -0.43 0
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164090 74381871 1 O4C31H54 A4B31C54 -274.35 4.79 -8.68 0.62 0
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164092 74381914 1 O2N4C17H26 A2B4C17D26 -56.8 5.59 -8.77 -0.25 0
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164093 74381918 1 F2O2N4C19H28 A2B2C4D19E28 -163.62 5.02 -9.83 0.2 0
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164094 74381920 1 F2O3N5C22H35 A2B3C5D22E35 -204.49 2.93 -8.9 -0.17 0
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164095 74381933 1 FN2O3C22H25 AB2C3D22E25 -139.47 4.54 -8.95 -0.33 0
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164096 74381960 1 FN4O6C23H25 AB4C6D23E25 -227.73 4.28 -9.29 -0.86 0
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164097 74381967 1 S2N5O5C27H27 A2B5C5D27E27 -122.22 9.96 -8.72 -1.41 0
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164100 74382004 2 N2O2C14H17 A2B2C14D17 -64.49 5.44 -9.19 -1.18 0
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164101 74382006 1 N3O5C25H37 A3B5C25D37 -228.88 8.59 -9.14 0.1 0
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164102 74382007 1 ClN3O5C27H34 AB3C5D27E34 -142.25 8.65 -9.21 -1.18 0
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164105 74382017 1 FN4O4C21H21 AB4C4D21E21 -124.37 5.33 -9.13 -0.83 0
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164106 74382020 1 O12N13C42H77 A12B13C42D77 -632.81 13.43 -9.65 0.23 0
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164107 74382021 1 N3O5C25H25 A3B5C25D25 -139.81 6.91 -9.58 -1.9 0
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164108 74382024 1 ClOSF3N4H18C19 ABCD3E4F18G19 -119.19 3.62 -9.24 -1.15 0
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164109 74382025 1 ClOSF3N4C20H20 ABCD3E4F20G20 -131.41 5.19 -9.26 -1.04 0
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164110 74382027 1 ON5C18H23 AB5C18D23 25.36 5.33 -8.76 -0.84 0
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164111 74382029 1 N2O8C51H76 A2B8C51D76 -438.21 4.19 -9.58 -0.36 0
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164112 74382031 2 NO4C24H35 AB4C24D35 -415.16 3.71 -9.47 -0.53 1
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164113 74382032 1 N5O5C16H24 A5B5C16D24 -182.15 5.23 0.0 0.0 1
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164114 74382033 1 FN5O5C15H23 AB5C5D15E23 -236.84 5.92 0.0 0.0 1
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164115 74382034 1 F3N5O5C16H23 A3B5C5D16E23 -352.45 6.77 0.0 0.0 1
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164116 74382035 1 SN5O8C17H26 AB5C8D17E26 -313.06 4.24 0.0 0.0 1
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164117 74382036 1 SN6O9C19H29 AB6C9D19E29 -352.4 10.98 0.0 0.0 0
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164118 74382038 1 SN3O3F4C24H25 AB3C3D4E24F25 -234.04 4.14 -9.07 -1.37 0
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164120 74382040 1 O2N3C18H25 A2B3C18D25 -43.97 6.45 -8.83 -0.07 0
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164121 74382041 1 KF3O3N5H15C17 AB3C3D5E15F17 -244.14 12.24 -7.95 -1.42 0
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164122 74382043 1 F3O3N5H18C19 A3B3C5D18E19 -142.24 5.47 -8.74 -1.72 0
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164125 74382048 1 SN4O6C25H36 AB4C6D25E36 -204.86 6.4 -8.97 -0.36 0
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164126 74382049 1 SN3O7C28H39 AB3C7D28E39 -270.96 2.47 -9.09 -0.42 0
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164127 74382050 1 SN4O6C27H38 AB4C6D27E38 -230.77 6.53 -9.23 -0.38 0
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164128 74382051 1 FN3O10H36C43 AB3C10D36E43 -323.13 13.6 -9.02 -1.87 0
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164129 74382068 1 ClN3O5C27H42 AB3C5D27E42 -254.17 7.47 -8.84 0.1 0
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164131 74382072 1 O14N16C57H80 A14B16C57D80 -593.89 11.44 -8.17 -0.24 0
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164132 74382075 1 FN4O5H17C21 AB4C5D17E21 -163.8 9.75 -9.5 -1.81 0
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164134 74382078 1 FO4N5H18C20 AB4C5D18E20 -113.51 7.42 -9.36 -1.17 0
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164135 74382079 1 FO4N5H20C21 AB4C5D20E21 -131.67 6.28 -9.3 -0.75 0