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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393882 135021903 1 OC19H22 AB19C22 -15.52 1.41 -9.25 0.34 0
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393883 135021904 1 ClOC20H23 ABC20D23 -26.96 2.77 -9.23 0.03 0
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393884 135021905 1 ClOC25H25 ABC25D25 2.36 3.04 -9.21 0.03 -1
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393885 135021907 1 ON3C9H16 AB3C9D16 -1.3 3.51 0.0 0.0 0
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393886 135021908 1 ON3C9H17 AB3C9D17 -20.48 2.46 -9.51 0.33 0
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393887 135021914 1 N2O4H16C17 A2B4C16D17 -51.26 1.99 -9.62 -1.43 0
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393888 135021915 1 O2N3H13C15 A2B3C13D15 31.27 1.47 -8.44 -0.86 0
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393889 135021916 1 ClS2H19C22 AB2C19D22 77.63 1.29 -8.72 -0.67 0
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393890 135021917 1 F2N2O3C14H14 A2B2C3D14E14 -202.1 4.74 -9.83 -1.11 0
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393891 135021918 1 N2O2C19H19 A2B2C19D19 0.51 3.77 0.0 0.0 0
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393892 135021919 1 NO7C24H31 AB7C24D31 -270.92 6.24 -8.18 -0.14 0
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393893 135021920 2 ON2C10H10 AB2C10D10 12.62 6.26 -8.61 -0.86 0
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393894 135021921 2 O2C12H15 A2B12C15 -130.21 1.58 -9.65 -0.81 0
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393895 135021922 2 ClOH6C8 ABC6D8 -43.89 3.21 -9.6 -1.05 0
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393896 135021923 1 ClFO2H14C17 ABC2D14E17 -90.52 2.83 -9.54 -0.87 0
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393897 135021924 1 PO2C20H23 AB2C20D23 -49.77 6.31 -7.36 -0.39 0
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393898 135021925 2 NOC13H14 ABC13D14 41.56 8.54 -8.1 -1.2 0
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393899 135021926 1 NO5C18H23 AB5C18D23 -171.64 6.33 -9.7 -0.19 0
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393900 135021927 6 OC3H4 AB3C4 -226.6 0.44 -9.23 -0.49 0
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393901 135021928 1 O13C45H82 A13B45C82 -709.38 3.08 -9.51 0.27 0
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393902 135021929 1 O13C40H74 A13B40C74 -705.65 4.42 -10.46 0.26 0
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393903 135021934 1 NO4H9C10 AB4C9D10 -83.32 3.83 -8.68 -0.56 0
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393904 135021935 1 C11H14 A11B14 26.05 0.76 -8.89 0.43 0
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393905 135021936 2 O2C7H11 A2B7C11 -160.98 3.02 -9.17 0.88 0
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393906 135021937 1 NSO3H17C18 ABC3D17E18 -77.98 4.02 -9.0 -0.57 0
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393907 135021938 1 NSO4C22H25 ABC4D22E25 -140.3 4.9 -8.91 -0.46 0
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393909 135021946 1 O2C15H24 A2B15C24 -118.78 2.47 -9.65 0.92 0
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393910 135021949 3 C5H8 A5B8 -29.55 1.12 -8.67 1.54 0
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393911 135021950 1 N2O7C27H32 A2B7C27D32 -293.03 4.0 -9.04 -0.59 0
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393912 135021951 1 O13C46H84 A13B46C84 -708.85 4.69 -9.58 0.34 0
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393913 135021952 1 O13C47H86 A13B47C86 -728.05 3.96 -9.57 0.58 0
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393914 135021953 1 O13C49H88 A13B49C88 -704.94 5.69 -9.54 0.19 0
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393915 135021954 1 Si6O11C30H70 A6B11C30D70 -821.11 0.58 -9.4 0.63 0
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393916 135021955 1 N7C51H55 A7B51C55 188.15 4.29 -8.96 -1.38 0
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393917 135021956 1 O2N5H29C39 A2B5C29D39 167.38 2.78 -9.01 -1.56 0
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393918 135021957 1 N3O3H17C19 A3B3C17D19 33.6 11.06 -9.11 -1.22 0
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393919 135021958 1 O3N4C24H24 A3B4C24D24 66.42 9.74 -8.24 -0.76 0
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393920 135021959 1 ON4C24H26 AB4C24D26 48.4 7.86 -8.06 -0.16 0
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393921 135021960 2 OC7H7 AB7C7 -67.14 2.73 -9.3 -0.04 1
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393922 135021962 1 AuNPS2O4F6C31H46 ABCD2E4F6G31H46 -454.57 16.91 0.0 0.0 1
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393923 135021963 1 AuNPS2F6O6C37H54 ABCD2E6F6G37H54 -410.11 4.7 0.0 0.0 0
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393924 135021964 2 OC8H10 AB8C10 -54.08 3.89 -8.2 0.27 0
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393925 135021965 1 ON2C19H22 AB2C19D22 10.51 1.85 -8.63 -0.17 0
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393926 135021966 1 NO4C16H25 AB4C16D25 -176.84 3.33 -9.99 0.44 0
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393927 135021967 1 ClON2H17C21 ABC2D17E21 17.02 1.52 -8.79 -1.22 0
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393928 135021968 1 NO2C16H19 AB2C16D19 -71.36 3.57 -9.44 -0.25 0
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393929 135021990 1 ClO2H15C18 AB2C15D18 -16.21 3.76 -9.2 -1.14 0
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393930 135021991 1 FPSN2C25H28 ABCD2E25F28 12.63 5.5 -8.39 -0.18 0
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393931 135021992 1 O3H16C20 A3B16C20 -3.21 6.73 -8.66 -1.56 0
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393932 135021994 1 SiO5C26H34 AB5C26D34 -225.12 3.17 -8.94 0.18 0