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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166894 74750975 1 ClFN2O2C19H21 ABC2D2E19F21 -82.78 1.7 0.0 0.0 1
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166895 74750976 1 OSN3C17H24 ABC3D17E24 5.16 12.21 0.0 0.0 0
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166896 74750990 1 O2N5C31H35 A2B5C31D35 8.47 4.76 -8.84 -0.49 1
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166897 74751117 1 FSN3O3C25H29 ABC3D3E25F29 -70.9 6.82 0.0 0.0 1
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166898 74751118 1 FO2N3C26H27 AB2C3D26E27 -52.63 5.58 0.0 0.0 1
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166899 74751119 1 S2O3N4C22H27 A2B3C4D22E27 -52.34 7.03 0.0 0.0 1
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166900 74751498 1 O4N6C21H29 A4B6C21D29 -87.3 3.63 0.0 0.0 0
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166901 74751499 1 O4N6C21H28 A4B6C21D28 -104.98 5.49 -9.16 -0.23 1
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166902 74751737 1 NSCl2O4C20H24 ABC2D4E20F24 -116.62 7.08 0.0 0.0 1
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166903 74752486 1 FOSN4C24H24 ABCD4E24F24 50.44 5.73 0.0 0.0 0
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166904 74752697 1 O4N5H21C24 A4B5C21D24 11.23 5.26 -9.29 -1.84 0
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166905 74752777 1 O2S2N3C19H23 A2B2C3D19E23 -35.8 3.53 -8.72 -0.66 0
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166906 74752799 1 NSO4C20H21 ABC4D20E21 -93.49 5.36 -9.33 -0.97 1
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166907 74752800 1 O3N4C25H29 A3B4C25D29 10.7 4.19 0.0 0.0 1
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166908 74752801 1 SN4O4C26H35 AB4C4D26E35 -71.39 9.35 0.0 0.0 0
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166909 74752802 1 NSCl2O5H17C19 ABC2D5E17F19 -151.71 7.94 -9.61 -1.1 0
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166910 74752803 1 SN2O4H18C19 AB2C4D18E19 -75.58 8.1 -9.67 -1.05 1
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166911 74753067 1 N3O3C27H34 A3B3C27D34 -42.39 5.45 0.0 0.0 0
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166912 74753126 1 N4O4H14C19 A4B4C14D19 -9.35 1.9 -9.43 -1.2 0
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166913 74753127 1 N2O4C19H22 A2B4C19D22 -104.65 5.63 -9.27 -0.97 0
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166914 74753128 1 NF3O3H14C19 AB3C3D14E19 -188.67 5.22 -9.46 -1.03 1
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166915 74754230 1 FN4O5C22H30 AB4C5D22E30 -185.26 5.83 0.0 0.0 1
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166916 74754231 1 FSO3N4C23H26 ABC3D4E23F26 -59.85 3.7 0.0 0.0 1
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166917 74754395 1 O3N6C27H37 A3B6C27D37 -41.79 1.97 0.0 0.0 1
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166918 74754919 1 SO3N4C28H37 AB3C4D28E37 -78.9 5.8 0.0 0.0 1
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166919 74754958 1 O4N6C22H31 A4B6C22D31 -106.01 7.68 0.0 0.0 1
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166920 74754959 1 O3N6C26H33 A3B6C26D33 -34.85 5.71 0.0 0.0 0
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166921 74754960 1 O3N6C26H32 A3B6C26D32 -47.97 5.72 -8.54 -0.11 1
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166922 74754961 1 ClO2N6C25H30 AB2C6D25E30 -1.47 3.75 0.0 0.0 1
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166923 74755411 1 O3N4H21C22 A3B4C21D22 1.37 2.9 0.0 0.0 1
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166924 74755470 1 SN3O4C26H26 AB3C4D26E26 -49.74 4.89 0.0 0.0 1
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166925 74755844 1 O3N4C21H23 A3B4C21D23 -31.08 4.33 0.0 0.0 1
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166926 74755875 1 SO2N4C25H33 AB2C4D25E33 5.14 1.57 0.0 0.0 1
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166927 74756016 1 O4N5C23H28 A4B5C23D28 -106.69 8.57 0.0 0.0 0
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166928 74756804 1 NO7C26H27 AB7C26D27 -204.07 4.66 -8.52 -0.69 1
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166929 74756915 1 OSN3C13H22 ABC3D13E22 -11.15 5.64 0.0 0.0 1
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166930 74756916 1 BrNC13H19 ABC13D19 23.25 6.74 0.0 0.0 1
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166931 74756917 1 N2O3C16H25 A2B3C16D25 -98.42 5.95 0.0 0.0 1
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166932 74756918 1 N3O3C15H22 A3B3C15D22 -32.94 8.96 0.0 0.0 1
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166933 74756919 1 BrO2N3C22H27 AB2C3D22E27 6.16 3.0 0.0 0.0 -1
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166934 74756920 1 N3O5H22C24 A3B5C22D24 -81.01 4.19 0.0 0.0 0
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166935 74756921 1 O3N6C25H26 A3B6C25D26 0.03 4.64 -8.66 -0.5 1
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166936 74756922 1 N2O3C28H31 A2B3C28D31 -15.66 3.5 0.0 0.0 1
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166937 74756923 1 FON3C28H33 ABC3D28E33 20.72 7.4 0.0 0.0 0
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166938 74756924 1 FON3C28H32 ABC3D28E32 -1.65 6.17 -8.75 0.04 1
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166939 74757272 1 SN4O5C22H33 AB4C5D22E33 -163.07 9.62 0.0 0.0 0
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166940 74757523 1 SN4O4C21H22 AB4C4D21E22 2.42 8.99 -8.89 -1.37 0
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166941 74757565 1 FSO3N4C22H23 ABC3D4E22F23 -14.84 6.12 -9.01 -1.62 0
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166942 74757566 1 FS2O3N4C20H21 AB2C3D4E20F21 -10.59 6.54 -8.98 -2.02 0
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166943 74757734 1 O4N5C24H31 A4B5C24D31 -115.12 4.17 -9.55 -0.87 0
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166944 74758092 1 ClN3O7H12C17 AB3C7D12E17 -77.54 9.25 -9.88 -2.2 0
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166945 74758093 1 Cl2F3N3O5H10C17 A2B3C3D5E10F17 -225.15 3.79 -9.78 -2.1 0
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166946 74758094 1 ClN3O7H14C18 AB3C7D14E18 -89.1 6.38 -9.53 -1.82 0
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166947 74758095 1 Cl2N3O7H11C17 A2B3C7D11E17 -82.62 3.6 -9.72 -2.1 0
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166948 74758096 1 ClN2O7H17C19 AB2C7D17E19 -156.81 3.47 -9.03 -2.1 0
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166949 74758097 1 ClFN3O7H11C17 ABC3D7E11F17 -119.28 3.46 -9.8 -2.1 0
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166950 74758098 1 ClN4O7C17H17 AB4C7D17E17 -166.38 6.57 -10.22 -1.72 0
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166951 74758099 1 ClF3N3O7H11C18 AB3C3D7E11F18 -238.25 6.81 -10.21 -2.09 0
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166952 74758100 1 ClN3O8H14C18 AB3C8D14E18 -115.16 8.11 -9.27 -2.16 0
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166953 74758101 1 ClN2O5C15H15 AB2C5D15E15 -99.74 7.75 -9.58 -1.68 0
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166954 74758113 1 ClNO4H14C17 ABC4D14E17 -42.69 4.44 -9.4 -1.81 1
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166955 74758350 1 O3N6C23H31 A3B6C23D31 -67.15 4.48 0.0 0.0 0
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166956 74758352 1 SN3O3C20H27 AB3C3D20E27 -112.68 9.71 -8.66 -0.38 0
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166957 74758353 1 SN3O3C21H29 AB3C3D21E29 -119.31 9.36 -8.61 -0.32 1
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166958 74758354 1 O2N6C25H31 A2B6C25D31 34.52 4.49 0.0 0.0 0
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166959 74758367 1 O3N5C20H29 A3B5C20D29 -100.61 2.23 -8.79 0.17 1
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166960 74758368 1 O3N6C23H35 A3B6C23D35 -73.7 5.78 0.0 0.0 0
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166961 74758569 1 SO2N5C22H25 AB2C5D22E25 2.98 5.51 -8.11 -0.83 1
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166962 74758570 1 N3O4C27H30 A3B4C27D30 -90.75 21.4 0.0 0.0 1
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166963 74758571 1 N2F3O3C19H22 A2B3C3D19E22 -227.08 8.64 0.0 0.0 1
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166964 74758572 1 BrClN3O3C18H20 ABC3D3E18F20 -10.39 10.34 0.0 0.0 1
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166965 74758573 1 SO2N5C25H34 AB2C5D25E34 -16.56 6.79 0.0 0.0 -1
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166966 74758789 1 NO6H16C18 AB6C16D18 -116.24 15.15 0.0 0.0 0
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166967 74758790 1 NO6H17C18 AB6C17D18 -179.99 2.04 -9.35 -1.36 -1
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166968 74758791 1 NO6H16C18 AB6C16D18 -149.84 6.91 0.0 0.0 2
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166969 74759453 1 ClO3N6C23H29 AB3C6D23E29 -21.7 3.85 -7.12 -0.52 2
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166970 74759499 1 O3N6C25H34 A3B6C25D34 -28.28 7.3 -7.37 -0.04 0
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166971 74759689 1 ClFSO2N4C20H26 ABCD2E4F20G26 -91.82 4.13 -9.19 -0.87 0
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166972 74759692 1 SO3N4C23H32 AB3C4D23E32 -80.11 4.27 -9.26 -0.84 2
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166973 74759888 1 O4N6C23H34 A4B6C23D34 -69.07 21.95 -5.66 -1.33 1
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166974 74759889 1 O4N6C21H31 A4B6C21D31 -99.6 6.25 0.0 0.0 0
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166975 74760415 2 O2N3C9H14 A2B3C9D14 -116.11 2.35 -8.96 -0.16 1
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166976 74760475 1 OF2N2C18H19 AB2C2D18E19 -74.93 7.92 0.0 0.0 0
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166977 74760847 1 ClSN3O4H18C20 ABC3D4E18F20 -103.32 3.12 -8.88 -1.2 0
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166978 74760934 1 N3O3C21H23 A3B3C21D23 -71.56 11.74 -8.8 -0.52 0
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166979 74760949 1 ClO3N4C27H27 AB3C4D27E27 -65.45 5.33 -9.45 -0.24 0
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166980 74760950 1 O4N5C20H23 A4B5C20D23 -131.97 5.83 -8.72 -0.28 0
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166981 74761169 1 N2O4C19H22 A2B4C19D22 -110.65 4.15 -9.14 -0.52 0
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166982 74761170 1 N3O3C22H29 A3B3C22D29 -83.49 1.28 -9.06 -0.23 0
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166983 74761171 1 N3O5C25H27 A3B5C25D27 -130.04 4.88 -8.89 -1.12 0
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166984 74761355 1 FS2N4O5C20H21 AB2C4D5E20F21 -165.42 7.41 -9.23 -1.36 0
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166985 74761452 1 SN4O6C23H32 AB4C6D23E32 -204.9 1.43 -9.43 -0.64 0
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166986 74761893 1 BrSN2O6C19H19 ABC2D6E19F19 -178.36 4.55 -9.39 -1.32 0
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166987 74762018 1 BrSN2O3H13C15 ABC2D3E13F15 -49.47 4.6 -9.04 -1.53 0
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166988 74762019 1 BrNSO4H18C21 ABCD4E18F21 -61.7 5.11 -8.89 -1.01 1
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166989 74762020 1 SO3N6C24H35 AB3C6D24E35 -106.67 2.84 0.0 0.0 0
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166990 74762040 1 SN2O3H20C23 AB2C3D20E23 2.75 5.25 -8.79 -0.82 0
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166991 74762060 1 ClSN3O4H14C21 ABC3D4E14F21 28.39 5.55 -9.25 -1.72 0
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166992 74762691 1 BrClON2H14C20 ABCD2E14F20 79.38 4.22 -9.4 -1.44 0
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166993 74762982 1 O3C15H22 A3B15C22 -155.01 5.35 -10.17 -0.37 0