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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14783 420714 1 FCl2S3N5O9H20C23 AB2C3D5E9F20G23 -312.47 3.51 -9.02 -1.79 0
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14784 420722 1 O2N5H7C10 A2B5C7D10 79.09 5.86 -8.49 -2.55 0
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14785 420755 2 SnC30H40 AB30C40 136.77 2.61 -7.77 -0.55 0
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14786 420768 1 NOSC11H12 ABCD11E12 2.79 3.69 0.0 0.0 1
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14787 420771 1 NOC6H13 ABC6D13 -61.9 3.01 -9.04 2.62 0
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14788 420797 1 ON3H5C6 AB3C5D6 24.48 2.18 -9.49 -1.09 0
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14789 420803 1 O5N6C23H24 A5B6C23D24 -144.62 5.12 -8.81 -0.48 0
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14790 420804 1 NO2C11H15 AB2C11D15 -72.9 3.44 -8.46 0.11 0
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14791 420805 2 N2O3H8C13 A2B3C8D13 75.08 2.21 -9.07 -2.47 0
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14792 420806 1 NSO6H21C24 ABC6D21E24 -168.38 4.31 -8.75 -2.04 0
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14793 420807 1 NO4C11H13 AB4C11D13 -137.45 3.12 -8.96 -0.36 0
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14794 420808 1 ON2C16H22 AB2C16D22 -16.14 3.09 -8.32 -0.09 0
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14795 420809 1 ON2C14H14 AB2C14D14 61.99 3.37 -8.87 -0.24 0
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14796 420810 1 ON2C15H16 AB2C15D16 56.78 3.24 -8.76 -0.28 0
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14797 420811 1 ON2C16H18 AB2C16D18 49.32 3.23 -8.94 -0.18 0
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14798 420812 1 SN2O3C29H34 AB2C3D29E34 -77.03 0.67 -8.93 -0.24 0
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14799 420815 1 N5C19H23 A5B19C23 64.55 3.8 -8.79 -0.16 0
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14800 420821 2 NO2C6H8 AB2C6D8 -78.9 3.9 -9.26 -1.96 0
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14801 420856 1 FSO4N5C19H22 ABC4D5E19F22 -132.9 6.75 -9.17 -0.93 0
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14802 420870 1 N3O3C10H11 A3B3C10D11 -80.96 8.42 -10.16 -1.12 0
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14804 420975 1 NO3H21C22 AB3C21D22 -28.9 0.18 -8.7 0.01 0
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14805 420976 1 IN2O2H13C14 AB2C2D13E14 62.29 5.6 -9.32 -1.66 0
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14806 420983 1 S2O6C23H26 A2B6C23D26 -189.57 4.03 -9.78 -0.6 0
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14807 421027 1 BrNOH14C17 ABCD14E17 27.5 6.63 -8.27 -1.19 0
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14808 421032 1 NCl2O5H12C13 AB2C5D12E13 -56.01 0.88 0.0 0.0 1
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14809 421062 1 NOC10H20 ABC10D20 -44.15 2.77 0.0 0.0 1
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14810 421079 1 ClFSO4N5C21H25 ABCD4E5F21G25 -151.7 7.09 -9.04 -0.84 0
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14812 421084 1 ClRu AB 111.62 2.32 0.0 0.0 0
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14813 421091 1 ON2H18C20 AB2C18D20 81.64 3.03 -8.72 -0.38 0
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14814 421375 1 NC12H24 AB12C24 2.61 0.31 0.0 0.0 1
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14815 421380 1 SN2O3C14H28 AB2C3D14E28 -97.36 5.36 -8.55 -0.56 2
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14816 421448 1 NPO3C10H17 ABC3D10E17 -127.53 7.95 0.0 0.0 1
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14817 421449 1 NPO3C4H13 ABC3D4E13 -167.28 4.69 0.0 0.0 1
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14818 421450 2 PO3C8H13 AB3C8D13 -361.63 4.38 -9.65 -0.28 0
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14819 421530 3 ClNH6C7 ABC6D7 74.09 3.82 -9.04 -0.59 0
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14820 421531 1 N2C21H22 A2B21C22 89.23 1.49 -8.92 0.17 0
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14821 421673 1 N2O4H14C31F40 A2B4C14D31E40 -2120.7 3.42 -9.19 -0.71 0
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14822 421700 1 N4C11H20 A4B11C20 20.02 0.63 -8.59 0.52 0
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14823 421771 1 Cl2O2N3C16H16 A2B2C3D16E16 -45.54 7.4 0.0 0.0 1
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14824 421791 2 NOC2H5 ABC2D5 -98.7 1.99 -9.74 0.74 0
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14826 421813 1 ZnN4S4C12H22 AB4C4D12E22 23.8 7.28 -8.63 -0.95 0
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14828 421925 1 NO2C11H15 AB2C11D15 -77.7 2.03 -9.3 0.03 0
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14829 421965 1 P5N16O35C49H63 A5B16C35D49E63 -1700.32 21.31 -9.18 -1.7 0
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14830 422071 1 ON2C19H33 AB2C19D33 -67.36 2.69 0.0 0.0 1
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14831 422072 1 O2N3C19H32 A2B3C19D32 -99.37 2.81 0.0 0.0 1
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14832 422073 1 N2O3C20H33 A2B3C20D33 -148.01 5.34 0.0 0.0 1
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14833 422074 1 N2O3C20H33 A2B3C20D33 -147.07 3.71 0.0 0.0 1
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14834 422089 1 O2N3H20C21 A2B3C20D21 -0.03 2.8 0.0 0.0 1
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14835 422168 1 ClN2O3C24H32 AB2C3D24E32 -119.22 3.47 0.0 0.0 1
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14836 422198 1 NO11C30H33 AB11C30D33 -440.03 10.32 -9.12 -2.06 0
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14837 422199 1 N5C11H17 A5B11C17 43.77 1.83 -9.05 0.31 0
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14839 422259 1 ClO2N3H13C14 AB2C3D13E14 -32.26 4.23 0.0 0.0 1
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14840 422308 1 NOC12H19 ABC12D19 -36.13 2.54 -8.63 0.2 0
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14841 422309 1 NC25H29 AB25C29 57.5 1.58 -9.06 0.24 0
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14842 422310 1 NOCl3C8H16 ABC3D8E16 -91.45 2.97 -9.58 -0.52 0
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14843 422320 1 NO2C23H31 AB2C23D31 -71.67 2.1 -8.53 0.24 0
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14844 422321 1 OCl2N2H11C13 AB2C2D11E13 -3.41 5.09 0.0 0.0 1
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14845 422332 1 N3O12C40H53 A3B12C40D53 -443.99 5.96 -8.15 -1.37 0
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14846 422349 1 N2O13C44H56 A2B13C44D56 -522.73 5.48 -8.49 -1.21 0
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14847 422352 2 NO6C22H28 AB6C22D28 -465.23 5.82 -8.35 -1.22 0
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14848 422381 1 ClOH25C33 ABC25D33 87.94 3.28 -9.1 -0.05 0
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14849 422448 1 N3O13C44H61 A3B13C44D61 -502.71 4.68 -8.04 -1.26 0
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14850 422463 1 BrNO4C22H29 ABC4D22E29 -79.94 2.65 0.0 0.0 1
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14851 422479 1 ClNO4C14H21 ABC4D14E21 -68.62 3.14 0.0 0.0 1
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14852 422480 1 NC14H18 AB14C18 24.86 0.82 0.0 0.0 1
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14853 422584 1 PH22C26 AB22C26 115.47 9.2 0.0 0.0 0
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14854 422631 1 N2O13C46H60 A2B13C46D60 -533.27 6.18 -8.4 -1.32 0
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14855 422660 1 SN2O3C11H18 AB2C3D11E18 -108.89 4.24 -9.32 -0.55 0
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14856 422681 1 N2O5C20H21 A2B5C20D21 -96.04 7.04 0.0 0.0 1
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14857 422687 1 SF3O4H5C7 AB3C4D5E7 -311.59 1.91 -10.2 -1.61 0
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14859 422728 1 N2O15C45H62 A2B15C45D62 -607.35 4.98 -8.15 -1.46 0
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14860 422738 1 N2O13C50H72 A2B13C50D72 -493.07 5.07 -7.8 -1.7 0
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14861 422746 1 NO2C15H23 AB2C15D23 -83.04 2.93 -8.61 0.15 0
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14863 422936 2 NC10H14 AB10C14 33.27 1.82 -8.23 0.11 0
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14864 422984 1 NO2C16H21 AB2C16D21 -77.63 3.47 -9.13 0.0 0