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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2041 5645 4 OC6H10 AB6C10 -250.56 4.27 -10.27 0.64 0
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2042 5647 1 O4N6C13H20 A4B6C13D20 -108.77 11.15 -9.26 -0.34 0
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2043 5648 1 NO2C19H32 AB2C19D32 -74.4 1.29 0.0 0.0 1
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2044 5649 6 NO3C9H15 AB3C9D15 -922.4 9.35 -10.11 -0.4 0
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2045 5655 1 BrON2H15C17 ABC2D15E17 5.64 2.16 -8.3 -1.19 0
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2046 5661 1 N3O7C27H35 A3B7C27D35 -203.67 3.58 -8.16 -0.17 0
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2047 5664 2 NO2C15H24 AB2C15D24 -175.81 6.23 -8.93 -0.05 0
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2048 5666 1 NO3C13H19 AB3C13D19 -100.49 3.9 -8.45 0.16 0
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2049 5667 1 N4O9C46H58 A4B9C46D58 -309.5 3.52 -8.24 -0.1 0
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2050 5668 1 N2O3C21H26 A2B3C21D26 -98.78 4.13 -8.28 0.09 0
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2051 5670 1 N5O7C44H57 A5B7C44D57 -231.36 7.92 -8.26 -0.2 0
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2052 5673 2 NOC11H13 ABC11D13 -41.05 4.62 -8.14 -0.51 0
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2053 5675 1 O5C24H28 A5B24C28 -180.54 4.62 -8.83 -0.47 0
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2054 5676 1 O5C35H58 A5B35C58 -320.61 6.91 -8.6 0.11 0
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2055 5677 1 NO7C10H21 AB7C10D21 -341.57 2.74 -9.4 1.17 0
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2056 5680 1 ClSN2O2C14H17 ABC2D2E14F17 -52.08 5.38 -9.38 -1.25 0
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2057 5681 1 ClSN2O2C16H21 ABC2D2E16F21 -62.74 5.02 -9.44 -1.3 0
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2058 5682 1 S3N7O8C37H49 A3B7C8D37E49 -269.64 10.42 -8.28 -1.08 0
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2059 5686 1 N4O6C29H40 A4B6C29D40 -221.27 5.83 -9.27 -0.3 0
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2060 5689 1 N2O3H26C27 A2B3C26D27 -32.05 6.24 -8.45 -0.68 0
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2061 5692 2 NO10C31H33 AB10C31D33 -722.66 13.79 -6.58 -2.38 2
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2062 5695 1 N3Na3S3H8O14C17 A3B3C3D8E14F17 -559.27 7.53 -9.34 -2.78 0
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2063 5696 1 N3S3H11O14C17 A3B3C11D14E17 -338.15 3.96 -10.76 -2.72 0
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2064 5698 1 PN4O9C10H14 AB4C9D10E14 -410.75 5.87 0.0 0.0 1
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2065 5700 1 O5C26H44 A5B26C44 -180.02 3.2 -9.02 -0.06 0
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2066 5709 2 NC8H12 AB8C12 -2.83 2.78 -9.01 0.43 0
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2067 5715 1 NO4C21H30 AB4C21D30 -91.09 4.7 0.0 0.0 1
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2068 5721 1 N4O7C12H20 A4B7C12D20 -284.17 5.96 -9.85 -0.5 0
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2069 5723 1 F2N2O3H10C12 A2B2C3D10E12 -158.55 2.56 -9.14 -1.14 0
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2070 5724 1 BrClFN2O4H11C17 ABCD2E4F11G17 -171.78 4.73 -9.98 -1.52 0
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2071 5726 1 O4N5C10H13 A4B5C10D13 -97.17 3.32 -9.77 -0.74 0
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2072 5728 1 SN3O6C28H45 AB3C6D28E45 -281.57 8.24 -9.34 -0.56 0
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2073 5729 1 NO2F3C10H10 AB2C3D10E10 -229.39 3.29 -9.11 -0.33 0
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2074 5731 1 O2N3C16H21 A2B3C16D21 -55.06 6.52 -8.38 -0.04 0
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2075 5732 1 ON3C19H21 AB3C19D21 11.59 3.87 -8.54 -0.23 0
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2076 5733 1 ClNO3H14C15 ABC3D14E15 -95.49 3.51 -9.45 -0.98 0
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2077 5736 1 ClNOSC18H18 ABCDE18F18 14.53 2.7 -8.61 -0.73 0
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2078 5738 1 SN3O3C32H35 AB3C3D32E35 -24.57 4.85 -8.65 -0.82 0
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2079 5742 1 CClN3H6 ABC3D6 3.77 4.48 -9.71 0.52 0
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2080 5745 1 O6C23H30 A6B23C30 -267.4 6.11 -9.8 -0.19 0
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2081 5746 1 N4O5C15H18 A4B5C15D18 -127.93 0.41 -8.94 -1.52 0
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2082 5748 1 BrNO3C21H34 ABC3D21E34 -143.79 14.42 -7.8 -0.49 0
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2083 5753 1 O4C21H30 A4B21C30 -140.59 7.97 -8.65 -0.25 0
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2084 5754 1 O5C21H30 A5B21C30 -233.76 5.6 -9.75 -0.54 0
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2085 5757 2 OC9H12 AB9C12 -104.03 0.8 -8.74 0.26 0
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2086 5761 1 ON3C20H25 AB3C20D25 -0.86 3.94 -8.16 -0.28 0
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2087 5762 1 H2O2Cl4C7 A2B2C4D7 -83.34 4.52 -9.98 -1.66 0
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2088 5764 1 O2Cl3H3C7 A2B3C3D7 -83.53 4.67 -10.46 -1.59 0
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2089 5767 1 O3C25H28 A3B25C28 -111.34 4.33 -8.91 -0.77 0
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2090 5769 2 NOC10H12 ABC10D12 -27.09 3.75 -8.76 -0.7 0
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2091 5770 1 N2O9C33H40 A2B9C33D40 -309.12 3.58 -7.94 -0.76 0
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2092 5771 1 S2N12O12C43H66 A2B12C12D43E66 -576.81 10.62 -8.96 -0.94 0
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2093 5778 1 SN4C6H6 AB4C6D6 75.89 5.77 -9.13 -1.04 0
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2094 5784 1 Cl2O2H4C7 A2B2C4D7 -75.85 4.92 -10.08 -1.36 0
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2095 5785 2 C3O3H4 A3B3C4 -221.74 1.12 -9.34 -0.75 0
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2096 5792 1 ON2H12C14 AB2C12D14 29.23 3.47 -9.19 -0.38 0
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2097 5801 1 NOC6H7 ABC6D7 -20.4 1.52 -8.3 0.18 0
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2098 5804 1 I3O4H11C15 A3B4C11D15 -67.16 4.88 -9.04 -1.46 0
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2099 5807 1 ClNO3C11H18 ABC3D11E18 -155.09 3.49 -9.04 -0.39 0
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2100 5811 1 Cl2O2H4C7 A2B2C4D7 -75.39 3.72 -10.27 -1.36 0
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2101 5818 1 Cl2N3C5H11 A2B3C5D11 -42.82 4.06 -9.42 0.47 0
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2102 5820 1 ClNC16H18 ABC16D18 35.65 2.34 -9.08 0.18 0
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2103 5824 1 SN2O6C13H22 AB2C6D13E22 -204.83 15.94 -9.14 -1.3 0
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2104 5831 1 ClN2O2C6H15 AB2C2D6E15 -105.2 16.12 -8.1 -0.8 0
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2105 5833 1 SO4C24H32 AB4C24D32 -200.7 2.5 -9.68 -0.31 0
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2106 5834 1 O6C23H30 A6B23C30 -258.2 6.84 -9.78 -0.49 0
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2107 5841 1 SSiN2O2C10H16 ABC2D2E10F16 -97.86 3.42 -9.64 -0.89 0
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2108 5846 1 SiN2O3C11H18 AB2C3D11E18 -179.37 3.1 -9.81 -0.47 0
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2109 5847 1 SiN2O3C11H18 AB2C3D11E18 -173.94 3.2 -9.82 -0.52 0
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2110 5848 1 SSiN2O2C11H18 ABC2D2E11F18 -98.7 4.73 -9.65 -0.92 0
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2111 5852 1 NSO2C5H11 ABC2D5E11 -104.75 4.26 -9.79 -0.21 0
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2112 5853 1 PCl3C4O4H8 AB3C4D4E8 -244.51 1.64 -10.89 -0.51 0
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2113 5854 1 NO3C23H37 AB3C23D37 -169.52 2.85 -9.12 0.71 0
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2114 5856 2 OC11H15 AB11C15 -34.24 2.43 -10.24 1.14 0
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2115 5857 1 OC20H28 AB20C28 -23.26 1.87 -8.96 1.37 0