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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161027 57390556 1 N3O5C27H33 A3B5C27D33 -143.26 6.3 -8.81 -0.92 0
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161028 57390559 1 NC24H41 AB24C41 -46.42 1.28 -8.38 0.55 0
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161029 57390565 1 SO2N4F6H24C34 AB2C4D6E24F34 -272.74 4.5 -8.36 -1.45 0
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161030 57390566 1 O2N4H18C19 A2B4C18D19 -13.82 4.25 -9.08 -1.06 0
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161032 57390573 1 FN6O16C58H95 AB6C16D58E95 -779.85 17.42 -8.9 -0.78 0
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161033 57390577 1 N2O5H28C29 A2B5C28D29 -130.36 3.92 -8.17 -0.8 0
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161034 57390578 1 NO6C31H31 AB6C31D31 -172.51 4.12 -8.23 -1.0 0
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161036 57390582 1 ClSO4N6H21C26 ABC4D6E21F26 -53.61 8.35 -8.7 -0.89 0
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161039 57390595 1 N2O5H22C25 A2B5C22D25 -87.15 5.98 -8.72 -0.77 0
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161041 57390600 2 NOC13H14 ABC13D14 -13.14 4.31 -8.38 -0.1 0
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161042 57390603 1 O4N5C20H23 A4B5C20D23 -84.86 3.79 -9.84 -1.28 0
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161043 57390608 2 ClO2H12C14 AB2C12D14 -64.03 4.42 -8.56 -0.87 0
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161045 57390614 3 O5C9H10 A5B9C10 -586.69 7.95 -9.28 -0.98 0
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161047 57390621 1 ClOSN3C16H26 ABCD3E16F26 -77.99 8.43 -8.46 -0.45 0
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161048 57390622 1 OSN3C16H25 ABC3D16E25 -40.99 6.76 -8.49 -0.49 0
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161050 57390624 1 ON4H12C16 AB4C12D16 114.91 7.99 -8.27 -1.7 0
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161051 57390628 1 SN2F3O5H11C13 AB2C3D5E11F13 -293.59 9.25 -9.08 -1.53 0
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161052 57390631 1 FN2O4H19C21 AB2C4D19E21 -146.0 9.92 -9.07 -1.06 0
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161053 57390632 1 SO15N18C55H90 AB15C18D55E90 -693.12 14.02 -8.28 -0.42 0
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161054 57390633 1 ON2C13H14 AB2C13D14 8.39 2.09 -9.96 -0.76 0
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161055 57390635 1 N2O5C15H16 A2B5C15D16 -142.45 4.01 -9.25 -1.27 0
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161056 57390641 1 N4O17C62H100 A4B17C62D100 -797.32 10.24 -8.49 -0.73 0
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161057 57390642 1 N5O16C64H105 A5B16C64D105 -734.13 10.5 -8.26 -0.72 0
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161058 57390644 2 NOC9H10 ABC9D10 -19.21 2.69 -9.6 -1.09 0
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161059 57390645 1 ON3C17H19 AB3C17D19 55.49 6.42 -8.32 -1.26 0
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161060 57390648 1 ClO2N3C30H36 AB2C3D30E36 -62.87 5.05 -8.9 -0.45 0
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161062 57390654 2 ON3C11H11 AB3C11D11 21.41 3.56 -8.68 -0.97 0
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161064 57390661 1 S2N3O3C16H21 A2B3C3D16E21 -94.55 7.3 -9.26 -0.75 0
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161066 57390663 1 OSN3C16H21 ABC3D16E21 -9.33 1.12 -8.75 -0.13 0
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161067 57390667 2 FON3H14C15 ABC3D14E15 -39.67 5.57 -8.71 -1.0 0
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161068 57390668 1 ClSN2O12C30H33 ABC2D12E30F33 -421.5 5.55 -8.8 -1.06 0
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161069 57390669 2 ON3C13H15 AB3C13D15 44.79 2.51 -8.03 -0.59 0
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161070 57390670 1 ClSO2N7C25H28 ABC2D7E25F28 47.65 4.66 -8.28 -0.99 0
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161071 57390674 1 ON4C24H32 AB4C24D32 -9.73 2.25 -8.54 -0.6 0
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161072 57390677 1 FN5H20C24 AB5C20D24 101.3 3.35 -8.2 -0.56 0
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161073 57390681 1 BrFSN4H16C25 ABCD4E16F25 119.56 9.36 -8.71 -1.41 0
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161074 57390682 1 BrOSN3H12C16 ABCD3E12F16 60.23 2.13 -9.13 -0.88 0
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161075 57390683 1 N2O2C19H22 A2B2C19D22 -48.92 1.43 -8.35 -0.52 0
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161076 57390684 1 N2O2C19H22 A2B2C19D22 -46.38 2.01 -8.22 -0.47 0
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161077 57390687 1 ClN4O6C32H33 AB4C6D32E33 -168.47 6.18 -8.9 -0.65 0
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161078 57390689 1 FON2C19H23 ABC2D19E23 -73.68 4.9 -8.36 -0.02 0
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161080 57390697 1 ON5C20H21 AB5C20D21 33.04 4.35 -8.65 -0.92 0
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161081 57390698 1 SF3N3O3C24H34 AB3C3D3E24F34 -294.71 14.59 -9.49 -0.71 0
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161082 57390707 1 ON2C27H30 AB2C27D30 -2.86 3.92 -8.73 -0.61 0
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161084 57390716 1 FO2N5C24H28 AB2C5D24E28 -47.28 5.28 -8.14 -0.03 0
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161086 57390718 1 FO2N6C28H29 AB2C6D28E29 -3.92 3.37 -8.26 -0.25 0
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161087 57390726 1 N7O12C40H45 A7B12C40D45 -458.67 9.17 -9.26 -0.79 0
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161088 57390729 1 NO3H15C17 AB3C15D17 -83.69 4.27 -9.04 -1.5 0
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161089 57390730 1 NO4H19C25 AB4C19D25 -70.2 5.66 -9.3 -1.64 0
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161090 57390733 1 O2C23H34 A2B23C34 -86.65 2.72 -9.37 -0.47 0
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161091 57390736 1 BrN4H9C15 AB4C9D15 111.77 6.11 -9.1 -1.34 0
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161092 57390737 1 Br2N3H9C16 A2B3C9D16 101.4 6.36 -9.08 -1.25 0
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161093 57390740 1 SN2O3H24C25 AB2C3D24E25 -31.26 3.07 -8.26 -0.5 0
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161094 57390742 1 NSO3C25H31 ABC3D25E31 -118.84 5.84 -8.65 -0.43 0
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161095 57390750 1 FN2O2C20H27 AB2C2D20E27 -122.2 2.81 -8.0 0.01 0
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161097 57390757 1 SCl2N3O6H25C27 AB2C3D6E25F27 -181.7 6.96 -9.21 -1.6 0
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161098 57390758 1 SCl2N2O7H24C27 AB2C2D7E24F27 -210.07 0.98 -9.35 -1.38 0
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161099 57390760 1 Cl2F3N6H25C27 A2B3C6D25E27 -81.16 10.27 -8.91 -0.81 0
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161100 57390762 1 SO3N4C24H30 AB3C4D24E30 -74.42 6.17 -9.52 -0.82 0
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161101 57390765 1 Cl2O2N8C25H34 A2B2C8D25E34 -46.51 3.64 -8.78 -1.26 0
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161102 57390771 1 ClF3N3O3H15C20 AB3C3D3E15F20 -203.28 6.89 -9.05 -1.04 0
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161103 57390778 1 OSN7H15C17 ABC7D15E17 74.44 4.71 -8.3 -1.0 0
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161104 57390782 1 NO6H19C20 AB6C19D20 -168.26 11.16 -8.66 -1.18 0
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161106 57390785 1 FN2O4H11C16 AB2C4D11E16 -149.19 4.81 -9.55 -1.53 0
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161107 57390790 1 NSO4H21C24 ABC4D21E24 -70.47 8.7 -8.47 -1.11 0
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161108 57390791 1 SN2O5H18C23 AB2C5D18E23 -35.6 3.76 -8.95 -1.29 1
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161109 57390792 1 ClSN2C18H18 ABC2D18E18 62.9 3.98 0.0 0.0 0
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161110 57390801 2 ClN3H10C11 AB3C10D11 88.56 6.29 -8.94 -0.68 0
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161111 57390805 1 N5O5C19H19 A5B5C19D19 -105.2 2.68 -9.12 -1.07 0
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161112 57390810 1 ClSN3O3H22C23 ABC3D3E22F23 -70.38 6.63 -8.77 -1.72 0
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161114 57390814 1 OSN7H15C17 ABC7D15E17 92.06 7.96 -8.41 -1.03 0
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161115 57390817 1 NO4H11C15 AB4C11D15 -86.15 9.82 -9.44 -1.42 0
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161116 57390819 1 ClN4O6C33H35 AB4C6D33E35 -174.28 5.86 -9.26 -0.83 0
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161118 57390823 1 Cl3N4O6C33H35 A3B4C6D33E35 -182.78 8.04 -8.77 -0.6 0
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161119 57390827 1 NSO3H19C23 ABC3D19E23 -26.75 4.12 -8.83 -1.15 0
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161120 57390829 1 ClN4O6C37H43 AB4C6D37E43 -144.57 4.54 -8.61 -0.39 0
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161122 57390833 1 O4C17H24 A4B17C24 -169.28 3.83 -8.9 -0.24 0
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161125 57390837 1 N2O7C31H40 A2B7C31D40 -258.55 4.79 -7.88 -0.51 0
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161126 57390838 1 N2O7C31H40 A2B7C31D40 -261.5 3.57 -8.73 -0.77 0
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161127 57390839 1 N2O7C28H40 A2B7C28D40 -303.53 2.29 -9.07 -0.77 0
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161129 57390844 1 O3N5H19C21 A3B5C19D21 -49.63 9.12 -8.91 -0.91 0
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161130 57390845 2 INC17H19 ABC17D19 79.59 12.05 -7.48 -1.95 2
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161131 57390846 2 NC17H19 AB17C19 136.57 16.27 -4.99 -2.2 0
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161132 57390847 1 SN2F3O4C16H21 AB2C3D4E16F21 -285.73 4.32 -9.73 -1.38 0
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161133 57390849 2 ClN5O13C42H48 AB5C13D42E48 -617.02 22.6 -7.62 -2.66 0
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161134 57390850 1 O3C18H28 A3B18C28 -143.64 4.87 -9.05 -0.03 0
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161136 57390856 1 FSO2N5H18C23 ABC2D5E18F23 70.01 5.79 -8.25 -1.48 0
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161137 57390863 1 N2S2O3H12C20 A2B2C3D12E20 -13.38 5.5 -8.91 -1.92 0
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161138 57390865 1 NSO3H9C15 ABC3D9E15 -25.07 4.92 -9.39 -1.7 0
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161139 57390867 1 SO3N4C24H36 AB3C4D24E36 -125.32 7.13 -9.05 -0.43 0
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161140 57390871 2 NOH10C11 ABC10D11 -2.23 9.97 -8.84 -0.46 0
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161141 57390872 1 Cl3N3O4H26C27 A3B3C4D26E27 -111.79 6.17 -8.88 -0.51 0
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161143 57390874 1 N3O4C27H27 A3B4C27D27 -85.95 8.17 -9.1 -0.74 0
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161144 57390875 1 OF2N2C19H24 AB2C2D19E24 -131.32 2.41 -8.46 -0.26 0
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161145 57390877 1 NO3H13C18 AB3C13D18 -56.86 2.8 -9.06 -1.52 0
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161149 57390888 2 NOC18H22 ABC18D22 -4.9 4.51 -8.69 0.19 0
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161150 57390890 2 NO2C18H22 AB2C18D22 -64.72 1.47 -8.38 0.06 0
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161151 57390896 1 N3O3C28H31 A3B3C28D31 -41.43 6.09 -8.65 -0.6 0
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161152 57390897 1 OC21H34 AB21C34 -66.0 3.89 -8.98 1.04 0
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161153 57390900 1 N3O4H23C28 A3B4C23D28 12.66 4.26 -8.35 -1.56 0