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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140913 52783069 1 SF2N3O3C14H22 AB2C3D3E14F22 -170.93 6.13 0.0 0.0 1
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140914 52783433 1 N2O2C20H25 A2B2C20D25 -6.62 5.34 0.0 0.0 0
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140915 52783593 1 BrN4O4H15C18 AB4C4D15E18 -71.13 2.47 -9.51 -1.26 0
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140916 52783616 1 BrSN2O5C18H19 ABC2D5E18F19 -160.1 3.9 -9.44 -1.17 0
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140917 52783899 1 ON4C16H26 AB4C16D26 -13.45 3.11 -8.56 0.44 2
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140918 52783900 1 ON4C16H28 AB4C16D28 -4.63 3.43 -8.55 0.14 0
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140919 52784202 1 ClF3N3O3H19C20 AB3C3D3E19F20 -240.94 4.98 -8.7 -0.95 0
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140920 52784557 1 BrN2O5C17H23 AB2C5D17E23 -188.3 5.45 -8.94 -0.68 0
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140921 52784642 1 N2O3C26H28 A2B3C26D28 -73.6 4.16 -8.68 -0.41 0
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140922 52784726 1 NO4C20H21 AB4C20D21 -100.75 4.25 -8.86 -0.66 0
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140923 52784727 1 NO2C21H21 AB2C21D21 -32.52 4.48 -8.88 -0.7 0
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140924 52784728 1 NO2C21H21 AB2C21D21 -32.26 4.98 -8.93 -0.74 0
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140925 52784729 1 F2N2O3C22H26 A2B2C3D22E26 -204.14 4.64 -8.67 -0.99 0
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140926 52784888 1 SN3O3C23H25 AB3C3D23E25 -66.83 8.25 -8.88 -0.72 0
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140927 52784959 1 N2O3C25H26 A2B3C25D26 -40.23 2.95 -8.75 -0.63 -1
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140928 52785401 1 SCl2N2O4C18H19 AB2C2D4E18F19 -102.51 2.05 0.0 0.0 0
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140929 52785911 1 SN2F3O3C12H13 AB2C3D3E12F13 -222.28 5.68 -10.01 -1.66 0
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140930 52785912 1 ClNSO3F4C11H12 ABCD3E4F11G12 -316.65 4.06 -9.97 -1.3 0
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140931 52785913 1 ClNSO3F6C12H12 ABCD3E6F12G12 -422.14 5.22 -10.11 -1.67 0
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140932 52785914 1 BrNSF3O3C12H15 ABCD3E3F12G15 -264.41 4.91 -9.93 -1.09 0
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140933 52785915 1 NSF3O5C19H22 ABC3D5E19F22 -316.04 10.16 -9.23 -0.74 0
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140934 52785916 1 BrNSF3O3C11H13 ABCD3E3F11G13 -252.74 2.03 -9.94 -1.01 0
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140935 52785917 1 NSO4F6C12H13 ABC4D6E12F13 -459.86 6.29 -10.15 -1.02 0
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140936 52786178 1 BrO2S2N3C13H14 AB2C2D3E13F14 -12.11 1.45 -8.69 -1.22 0
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140937 52786417 1 SO3N4C19H22 AB3C4D19E22 -38.86 6.45 -8.19 -0.52 0
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140938 52786465 1 BrO2N5H14C16 AB2C5D14E16 35.93 2.44 -9.29 -1.3 0
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140939 52786635 1 ClN3O3C20H20 AB3C3D20E20 -29.94 6.78 -9.32 -0.83 0
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140940 52786718 1 N2O2F3C18H21 A2B2C3D18E21 -235.27 3.79 -9.24 -0.91 0
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140941 52786940 1 SN2O4C19H28 AB2C4D19E28 -187.92 7.28 -9.22 -0.75 0
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140942 52787200 1 N3O5C25H31 A3B5C25D31 -174.2 7.72 -8.6 -0.66 1
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140943 52787700 1 O2N4C27H39 A2B4C27D39 -50.33 5.61 0.0 0.0 0
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140944 52787701 1 O2N4C27H38 A2B4C27D38 -59.09 4.59 -8.63 -0.26 1
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140945 52787984 1 SN2O2C16H29 AB2C2D16E29 -68.7 5.35 0.0 0.0 0
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140946 52788509 1 O2N3C17H21 A2B3C17D21 -38.36 3.91 -8.57 -1.2 0
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140947 52788608 1 NO2C14H21 AB2C14D21 -100.28 2.68 -9.3 -0.1 0
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140948 52788609 1 NO4C20H21 AB4C20D21 -137.72 1.79 -8.35 -0.15 0
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140949 52788770 1 ClNO5C19H20 ABC5D19E20 -185.56 4.77 -8.55 -0.46 0
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140950 52788771 1 NO6C19H21 AB6C19D21 -212.65 3.77 -8.74 -0.16 0
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140951 52788772 1 NO5C22H27 AB5C22D27 -193.22 3.92 -8.64 -0.15 0
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140952 52789094 1 N2O4C23H24 A2B4C23D24 -55.21 7.2 -8.77 -0.52 0
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140953 52789159 1 FN3O3H18C21 AB3C3D18E21 -15.68 5.99 -8.91 -1.76 0
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140954 52789471 1 ClSN2O2H13C16 ABC2D2E13F16 -11.61 3.17 -8.4 -1.42 0
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140955 52789652 1 ClNO3C20H24 ABC3D20E24 -103.06 4.15 -9.16 -0.14 0
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140956 52789653 1 ClS2N3O4C19H26 AB2C3D4E19F26 -143.25 9.64 -8.91 -1.03 0
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140957 52789681 1 N3O3C22H29 A3B3C22D29 -110.49 5.06 -8.94 -0.09 0
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140958 52789993 1 ClION2C16H22 ABCD2E16F22 -32.72 4.25 -8.57 -1.4 1
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140959 52790566 1 N2O2C22H29 A2B2C22D29 -24.88 2.89 0.0 0.0 0
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140960 52790585 1 SN3O3C21H33 AB3C3D21E33 -127.18 7.13 -8.85 -0.77 1
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140961 52790586 1 SN3O3C22H30 AB3C3D22E30 -64.1 4.2 0.0 0.0 0
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140962 52790587 1 SN3O3C22H29 AB3C3D22E29 -90.51 2.63 -8.69 -1.17 1