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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391869 135010394 2 NSH12C17 ABC12D17 164.8 6.07 -8.38 -0.95 0
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391870 135010436 1 N4O7C44H62 A4B7C44D62 -351.66 2.33 -9.56 -0.42 0
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391871 135010439 1 NO4C23H29 AB4C23D29 -138.83 6.46 -8.74 -0.58 0
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391872 135010452 1 O2H14C19 A2B14C19 53.48 2.29 -9.01 -0.67 0
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391873 135010453 1 BN2O2C36H41 AB2C2D36E41 -101.85 6.14 -7.98 -0.35 0
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391874 135010455 1 N7C126H127 A7B126C127 238.82 2.09 -7.64 -0.45 0
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391875 135010488 1 ClON2C15H17 ABC2D15E17 -13.46 7.99 -9.46 -0.24 0
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391876 135010499 1 SiO5C28H42 AB5C28D42 -253.34 3.79 -8.77 0.45 0
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391877 135010523 1 N2O4C17H22 A2B4C17D22 -130.55 1.12 -9.41 0.0 0
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391878 135010524 1 N2O6C15H24 A2B6C15D24 -252.61 0.95 -9.94 -0.09 0
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391880 135010537 1 BrO3C24H25 AB3C24D25 -83.89 4.95 -8.82 -1.08 0
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391881 135010551 1 IN4C19H23 AB4C19D23 125.16 5.4 -9.25 -0.77 0
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391882 135010570 1 SN2O3C22H36 AB2C3D22E36 -154.9 4.16 -8.41 0.48 0
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391884 135010575 1 IN5C17H20 AB5C17D20 129.78 6.08 -8.84 -0.45 0
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391885 135010577 1 SH10C13 AB10C13 101.72 1.06 -8.76 -0.28 0
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391886 135010588 1 SO5C19H28 AB5C19D28 -220.83 5.65 -10.26 -0.62 0
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391887 135010594 1 N2O5C9H10 A2B5C9D10 -207.19 4.5 -10.22 -0.75 0
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391888 135010620 1 O2H10C11 A2B10C11 -63.22 5.12 -9.54 0.02 0
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391889 135010634 1 SO4C16H22 AB4C16D22 -145.77 4.62 -8.77 -0.28 0
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391890 135010640 1 OSi2C20H34 AB2C20D34 -64.67 1.59 -8.62 0.28 0
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391891 135010642 1 N2O2C19H26 A2B2C19D26 -72.45 2.1 -8.69 -0.2 0
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391892 135010644 1 NOSH11C13 ABCD11E13 40.45 4.66 -8.71 -0.85 0
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391893 135010694 1 F2O3N5C30H37 A2B3C5D30E37 -153.12 5.84 -9.57 -0.35 0
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391894 135010699 1 N2O2H24C29 A2B2C24D29 19.04 2.74 -9.21 -0.4 0
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391895 135010708 2 O2C8H15 A2B8C15 -222.13 2.48 -9.45 1.59 0
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391896 135010710 2 ON4C19H21 AB4C19D21 84.74 2.76 -8.03 -0.49 0
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391897 135010718 1 O4C9H18 A4B9C18 -198.33 2.41 -9.52 1.5 0
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391898 135010750 1 SO4C24H36 AB4C24D36 -196.23 1.93 -8.71 -0.17 0
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391899 135010751 1 NO4H33C34 AB4C33D34 -88.45 4.58 -8.38 -0.71 0
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391900 135010753 2 NSO2C13H14 ABC2D13E14 -99.31 4.46 -9.03 -1.37 0
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391901 135010754 1 NO4C20H21 AB4C20D21 -116.91 5.06 -9.36 -1.48 0
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391902 135010755 1 NO4C16H19 AB4C16D19 -156.4 3.15 -9.77 -1.4 0
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391903 135010768 1 OSnN3C25H37 ABC3D25E37 52.43 1.75 -9.59 -1.27 0
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391904 135010773 2 NO3C13H13 AB3C13D13 -122.09 4.22 -9.12 -0.69 0
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391905 135010859 1 O7C37H46 A7B37C46 -252.58 5.01 -8.79 -0.37 0
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391906 135010880 1 NO4C19H21 AB4C19D21 0.81 1.33 -8.47 -0.51 0
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391907 135010881 1 NO5C21H23 AB5C21D23 -69.32 2.91 -8.21 -0.42 0
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391908 135010884 1 BrO2C21H23 AB2C21D23 -68.11 1.39 -9.22 -0.27 0
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391909 135010887 1 SO7C25H32 AB7C25D32 -296.45 4.79 -8.92 -0.13 0
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391910 135010889 1 N2O4C17H20 A2B4C17D20 -116.42 5.97 -8.35 0.11 0
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391911 135010890 1 NO3H11C13 AB3C11D13 -71.65 7.17 -9.17 -0.58 0
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391913 135010896 1 FNO4H12C16 ABC4D12E16 -146.69 1.34 -9.71 -1.4 0
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391914 135010907 1 Cl2C9H14 A2B9C14 -33.41 2.23 -9.59 0.26 0
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391915 135010909 1 SO4C18H24 AB4C18D24 -153.3 2.32 -8.44 -0.02 0
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391916 135010918 1 N3O3C13H17 A3B3C13D17 -43.52 2.77 -9.5 0.08 0
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391917 135010920 1 N3O4H9C17 A3B4C9D17 22.88 2.82 -9.78 -2.09 0
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391918 135010927 1 Si3O4C26H50 A3B4C26D50 -357.09 3.74 -8.93 0.2 0
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391919 135010957 1 NO4C17H19 AB4C17D19 -120.44 3.44 -8.64 -0.42 0
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391920 135010992 1 BrNC9H15 ABC9D15 8.79 3.74 0.0 0.0 0
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391921 135011011 1 NSO3H19C22 ABC3D19E22 -36.05 6.89 -8.51 -0.81 0
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391922 135011017 2 N2O3C10H13 A2B3C10D13 -90.71 8.81 -9.51 -1.65 0
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391923 135011024 1 NOC6H7 ABC6D7 -8.81 5.81 -9.1 -0.61 0
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391924 135011053 1 FSCl2N2H15C17 ABC2D2E15F17 -1.39 5.11 -8.85 -0.66 0
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391925 135011057 1 N3O3C17H23 A3B3C17D23 -118.67 4.59 -8.78 -0.93 0
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391926 135011113 1 NSnO3C21H37 ABC3D21E37 -93.32 2.33 -8.38 0.08 0
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391927 135011114 1 NSnO3C21H37 ABC3D21E37 -89.7 6.15 -9.28 -0.71 0
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391928 135011117 1 N2O2C19H20 A2B2C19D20 4.24 4.46 -8.8 -0.64 0
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391929 135011121 1 ClNO4C17H20 ABC4D17E20 -127.06 2.48 -8.25 0.18 0
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391930 135011123 1 SCl2N2H12C15 AB2C2D12E15 54.65 1.67 -8.88 -0.52 1
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391931 135011128 1 NO4C16H20 AB4C16D20 -139.72 4.69 0.0 0.0 0
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391932 135011129 1 NO4C16H19 AB4C16D19 -144.3 1.03 -8.84 0.22 0
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391933 135011132 1 N4C41H42 A4B41C42 170.66 4.32 -7.62 -0.88 0
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391934 135011135 1 Cl2N6O8H16C17 A2B6C8D16E17 -218.24 5.54 -9.49 -1.7 0
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391935 135011136 2 NF2H7C8 AB2C7D8 -144.08 5.23 -8.71 -0.49 0
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391936 135011137 1 Br2O2N3C17H19 A2B2C3D17E19 -36.59 4.56 -9.07 -1.06 1
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391937 135011149 1 N2O2C19H27 A2B2C19D27 -20.76 1.04 0.0 0.0 0
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391938 135011150 1 I2S2H12C15 A2B2C12D15 104.8 3.2 -8.79 -1.16 0
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391939 135011151 3 OC2H4 AB2C4 -136.8 2.41 -10.06 0.65 0
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391940 135011171 1 ON4C28H30 AB4C28D30 109.34 3.37 -7.64 -0.93 0
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391941 135011172 1 NiON4C28H28 ABC4D28E28 389.12 3.3 -7.66 -3.76 0
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391942 135011176 1 C15H26 A15B26 -55.11 0.16 -9.99 3.83 0
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391943 135011178 1 N2O9C20H26 A2B9C20D26 -388.02 3.3 -9.41 -0.48 0
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391944 135011181 1 N3O4H13C16 A3B4C13D16 -9.04 4.23 -10.01 -1.76 0
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391945 135011203 1 NO3C12H15 AB3C12D15 -100.68 3.35 -9.87 -0.63 0
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391946 135011240 1 N2O2S2H16C19 A2B2C2D16E19 5.82 4.57 -8.47 -0.78 0
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391947 135011243 1 OC20H24 AB20C24 -30.54 1.51 -8.97 -0.14 0
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391948 135011244 1 OC20H24 AB20C24 -32.13 2.31 -8.85 0.08 0
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391949 135011250 1 SiO5C30H54 AB5C30D54 -293.94 1.82 -8.08 0.13 0
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391950 135011270 1 NOH17C21 ABC17D21 40.48 2.61 -8.21 -0.93 0
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391951 135011273 1 ClNOH16C21 ABCD16E21 26.03 4.72 -8.21 -0.98 0
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391952 135011307 1 OSF2N2C22H26 ABC2D2E22F26 -93.15 2.08 -9.04 -0.21 0
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391953 135011366 1 SiO6C18H30 AB6C18D30 -306.98 2.62 -8.75 0.38 0
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391954 135011379 1 N3O3H29C32 A3B3C29D32 -20.87 3.69 -9.13 -0.86 1
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391955 135011384 1 NOPPdC28H39 ABCDE28F39 97.77 10.76 0.0 0.0 0
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391956 135011385 1 NOC9H21 ABC9D21 -90.37 1.33 -8.85 2.73 0
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391957 135011386 1 N2C15H18 A2B15C18 64.53 3.84 -8.26 -0.2 0
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391958 135011387 1 N2C21H22 A2B21C22 90.71 3.27 -8.33 -0.02 0
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391959 135011388 1 N2C23H26 A2B23C26 92.79 1.84 -8.1 0.09 0
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391960 135011399 1 O7C23H26 A7B23C26 -268.52 4.32 -9.45 -0.2 1
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391961 135011400 1 NRhSP3O6C26H39 ABCD3E6F26G39 -253.39 33.34 -9.07 -3.16 0
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391962 135011401 1 NPSO6C26H34 ABCD6E26F34 -262.11 4.41 -8.82 -0.46 0
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391963 135011402 1 NPSO6C26H32 ABCD6E26F32 -259.2 5.77 -9.39 -0.46 0
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391964 135011418 1 Si3O8C44H84 A3B8C44D84 -536.79 4.7 -8.6 0.5 0
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391965 135011469 1 N6O6C33H46 A6B6C33D46 -202.42 5.24 -9.62 -0.12 0
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391966 135011477 2 O3C14H22 A3B14C22 -298.79 4.02 -9.83 0.24 0
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391967 135011479 1 SiO2C12H17 AB2C12D17 -62.9 1.07 0.0 0.0 0
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391968 135011496 1 BNO2C20H30 ABC2D20E30 -147.68 0.97 -8.07 0.57 1
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391969 135011500 1 SiO2C20H27 AB2C20D27 -84.41 3.08 0.0 0.0 0
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391970 135011502 1 SiO3C29H36 AB3C29D36 -145.29 0.6 -8.88 0.12 0
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391971 135011503 1 NSO20C32H49 ABC20D32E49 -871.74 4.08 -8.8 -0.19 0