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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167906 74893978 1 ClFO3N6C19H23 ABC3D6E19F23 -122.66 4.85 0.0 0.0 0
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167907 74894170 1 N3O4C23H29 A3B4C23D29 -143.32 3.18 -8.79 -0.17 0
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167908 74894674 1 NS2O4C15H15 AB2C4D15E15 -109.32 3.43 -9.08 -1.73 0
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167909 74894929 1 SN2O5H20C24 AB2C5D20E24 -111.47 7.25 -8.94 -1.58 0
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167910 74895843 1 O3N5C16H19 A3B5C16D19 -36.04 4.38 -9.3 -1.65 0
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167911 74896250 1 NO6C25H33 AB6C25D33 -232.84 1.2 -8.21 -0.89 0
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167912 74896251 1 NO6C26H35 AB6C26D35 -232.68 2.77 -8.29 -0.85 0
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167913 74896579 1 N4O4C25H30 A4B4C25D30 -113.83 2.68 -8.96 -1.0 0
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167914 74896666 1 ON5C16H27 AB5C16D27 -19.56 8.9 -9.15 -0.75 0
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167915 74896667 1 ON5C18H27 AB5C18D27 -20.25 4.89 -9.21 0.53 0
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167916 74897133 1 N3O4C24H29 A3B4C24D29 -106.94 2.39 -8.88 -0.29 0
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167917 74897229 1 ClON3H22C24 ABC3D22E24 49.74 4.0 -9.02 -0.61 0
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167918 74897230 1 OCl2N4H20C23 AB2C4D20E23 52.04 5.48 -9.07 -0.57 0
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167919 74897231 1 Cl2O2N4C23H26 A2B2C4D23E26 -25.07 2.81 -8.96 -0.99 0
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167920 74897232 1 OCl2N3C21H23 AB2C3D21E23 -0.16 5.34 -8.91 -0.97 0
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167921 74897238 2 ClON2C12H14 ABC2D12E14 -30.15 3.46 -8.85 -0.98 0
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167922 74897239 1 OCl2N3H23C25 AB2C3D23E25 35.25 3.63 -9.07 -0.97 0
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167923 74897240 1 OCl2N4H20C23 AB2C4D20E23 51.73 6.56 -9.15 -0.65 0
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167924 74897241 1 Cl2O2N3C20H21 A2B2C3D20E21 -24.22 5.51 -8.98 -0.92 0
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167925 74897530 1 O2N3C26H35 A2B3C26D35 -45.07 6.08 -8.88 -0.19 0
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167926 74897531 1 O3N4C28H38 A3B4C28D38 -70.81 6.1 -8.63 -0.09 0
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167927 74897532 1 O2N3C29H33 A2B3C29D33 -5.14 5.55 -8.99 -0.12 0
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167928 74897533 1 O2N4C27H30 A2B4C27D30 10.06 7.04 -9.06 -0.3 0
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167929 74897534 1 N3O3C24H31 A3B3C24D31 -68.05 4.68 -8.9 0.09 0
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167930 74897535 1 N3O4C31H37 A3B4C31D37 -79.36 5.47 -8.23 -0.13 0
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167931 74897871 1 O4N5C24H29 A4B5C24D29 -19.66 7.4 -8.92 -1.4 0
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167932 74897915 1 O3N4C23H26 A3B4C23D26 6.82 6.11 -9.02 -1.27 0
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167933 74897916 1 O3N6C24H26 A3B6C24D26 51.28 10.25 -9.13 -1.45 0
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167934 74898970 1 ClO3N4H23C25 AB3C4D23E25 35.32 7.77 -9.26 -1.76 0
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167935 74899062 1 ClO2N3C21H24 AB2C3D21E24 -29.93 6.84 -8.99 -0.32 0
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167936 74899969 1 O2N5C24H27 A2B5C24D27 26.12 6.5 -8.8 -0.25 0
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167937 74900870 1 N4O5C30H42 A4B5C30D42 -146.13 3.46 -8.41 0.02 0
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167938 74901025 1 ClN3O5H16C18 AB3C5D16E18 -104.34 3.7 -9.37 -1.69 0
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167939 74901257 1 NS2O7H17C21 AB2C7D17E21 -206.02 7.88 -9.42 -2.12 0
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167940 74901464 1 SN2O6H18C21 AB2C6D18E21 -165.3 8.16 -9.55 -1.53 0
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167941 74901549 1 NS2O5C17H17 AB2C5D17E17 -157.86 4.87 -9.65 -2.21 0
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167942 74901550 1 ClNS2O3C16H16 ABC2D3E16F16 -84.19 4.78 -9.48 -1.99 0
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167943 74901551 1 ClNS2O3C16H16 ABC2D3E16F16 -83.98 4.02 -9.53 -1.98 0
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167944 74902089 1 NSO5H19C21 ABC5D19E21 -152.31 2.75 -9.17 -1.53 0
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167945 74902693 1 SN2O4H20C21 AB2C4D20E21 -84.94 2.78 -9.01 -1.15 0
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167946 74902857 1 SN2O5H20C21 AB2C5D20E21 -120.45 7.14 -9.02 -1.35 0
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167947 74903759 1 ClO4N5H16C18 AB4C5D16E18 -77.94 3.48 -9.3 -2.06 0
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167948 74903940 1 O2N5C21H23 A2B5C21D23 -18.81 4.29 -9.1 -0.2 0
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167949 74904070 1 ClSN2O4C18H21 ABC2D4E18F21 -116.47 2.98 -9.24 -0.9 0
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167950 74904145 1 N3O3C18H23 A3B3C18D23 -83.11 5.97 -9.43 -1.22 0
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167951 74904511 1 ClSN3O5H28C35 ABC3D5E28F35 -52.47 9.47 -8.52 -0.86 0
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167952 74904721 1 BrSN4O6H21C23 ABC4D6E21F23 -52.57 9.08 -9.57 -1.52 0
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167953 74904812 1 SN4O5H22C23 AB4C5D22E23 -17.41 7.55 -9.3 -1.64 0
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167954 74904907 1 ISN3O3C24H24 ABC3D3E24F24 -18.46 7.21 -8.84 -0.82 0
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167955 74904942 1 ClSN3O5H24C25 ABC3D5E24F25 -123.28 5.97 -8.74 -0.85 0
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167956 74905371 1 ClSF3N3O3H19C23 ABC3D3E3F19G23 -183.52 6.61 -9.32 -0.83 0
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167957 74905597 1 ClSF3N3O4H23C25 ABC3D3E4F23G25 -228.1 5.66 -8.76 -1.0 0
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167958 74906189 1 ClNO3C21H22 ABC3D21E22 -88.34 3.42 -9.5 -0.86 0
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167959 74906190 1 NO4C23H27 AB4C23D27 -128.05 4.8 -8.87 -0.4 0
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167960 74906252 1 O2N3C15H15 A2B3C15D15 9.67 6.14 -9.5 -0.68 1
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167961 74906293 1 ClN3O3C18H19 AB3C3D18E19 -65.33 0.86 0.0 0.0 0
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167962 74906350 1 N4O5H30C33 A4B5C30D33 7.56 4.9 -8.36 -1.49 0
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167963 74906356 1 FCl2N2O4H17C27 AB2C2D4E17F27 -73.82 3.12 -8.71 -1.44 0
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167964 74906429 1 Cl2N3O3H27C31 A2B3C3D27E31 -21.51 5.89 -8.93 -1.1 0
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167965 74906460 1 ClIO2N3H23C26 ABC2D3E23F26 23.56 5.08 -8.54 -1.34 0
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167966 74906918 1 ClSN3O3C24H26 ABC3D3E24F26 -45.71 1.85 -8.86 -0.92 0
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167967 74907153 1 ClSN3O4H24C26 ABC3D4E24F26 -47.83 2.06 -8.63 -1.13 0
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167968 74907266 1 N3O4C21H21 A3B4C21D21 -46.66 5.81 -8.73 -1.07 2
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167969 74907339 1 SN4O4C25H26 AB4C4D25E26 -90.76 4.3 -8.1 -1.36 1
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167970 74907504 1 SN4O5C13H21 AB4C5D13E21 -211.74 1.3 0.0 0.0 0
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167971 74907564 1 SCl2N2O2H18C20 AB2C2D2E18F20 -15.62 3.72 -8.83 -1.06 0
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167972 74907632 1 SN3O3H17C23 AB3C3D17E23 74.03 6.51 -8.66 -1.47 0
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167973 74907633 1 ClON2S2H15C18 ABC2D2E15F18 46.59 3.06 -8.67 -1.28 0
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167974 74907634 1 OCl2N2S2H12C17 AB2C2D2E12F17 53.29 1.74 -8.93 -1.31 0
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167975 74907683 1 SO5N6H18C20 AB5C6D18E20 -32.87 5.84 -8.87 -1.17 0
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167976 74907703 1 SN2O3C22H22 AB2C3D22E22 -49.58 3.06 -8.34 -0.67 0
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167977 74907780 1 N3O3Cl4H13C17 A3B3C4D13E17 -68.98 3.87 -9.15 -1.08 0
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167978 74908306 1 FN5O5H20C23 AB5C5D20E23 -84.49 6.14 -8.99 -1.17 0
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167979 74908348 1 SO2N5C17H23 AB2C5D17E23 -54.67 4.73 -8.82 -0.28 0
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167980 74908985 1 SN2O3C10H16 AB2C3D10E16 -144.07 4.36 -9.59 -0.87 0
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167981 74908986 1 SN2O6C21H22 AB2C6D21E22 -164.41 3.84 -8.72 -1.46 1
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167982 74908987 1 SO5N6C18H19 AB5C6D18E19 -121.52 1.39 0.0 0.0 1
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167983 74908988 1 SO4N5C15H22 AB4C5D15E22 -125.13 2.26 0.0 0.0 1
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167984 74908989 1 SN4O4C13H17 AB4C4D13E17 -115.52 3.28 0.0 0.0 0
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167985 74909301 1 SN3O3H23C25 AB3C3D23E25 -7.49 3.95 -8.42 -0.98 0
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167986 74909423 1 SN2O8C24H28 AB2C8D24E28 -268.24 5.97 -8.84 -1.14 0
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167987 74909663 1 O3N7C26H31 A3B7C26D31 -29.7 9.63 -8.43 -0.39 0
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167988 74909689 1 FO5N8H19C20 AB5C8D19E20 -18.1 1.68 -9.03 -2.14 0
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167989 74909927 1 ClSN2O2C23H23 ABC2D2E23F23 -34.39 5.34 -8.34 -0.93 0
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167990 74910190 1 SO2N8C19H24 AB2C8D19E24 45.81 7.14 -8.62 -1.54 0
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167991 74910191 1 SO2N7C20H25 AB2C7D20E25 23.05 11.17 -8.65 -1.04 0
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167992 74910192 1 SO2N7C20H25 AB2C7D20E25 17.42 2.63 -8.52 -1.44 0
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167993 74910436 1 ClN2S3O4C19H21 AB2C3D4E19F21 -118.82 6.58 -8.72 -1.07 0
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167994 74910437 1 ClN2O2S3C18H19 AB2C2D3E18F19 -9.6 3.52 -8.62 -1.11 0
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167995 74910441 1 ClN2O2S4C15H15 AB2C2D4E15F15 -16.49 1.7 -8.59 -1.2 0
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167996 74911019 1 O3N8C29H34 A3B8C29D34 -26.62 4.62 -9.09 -0.38 0
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167997 74911085 2 O2N4C12H13 A2B4C12D13 19.68 9.89 -8.24 -2.0 0
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167998 74911086 2 O2N4C12H13 A2B4C12D13 17.25 6.56 -8.59 -1.83 0
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167999 74911087 2 O2N4C12H13 A2B4C12D13 17.72 4.37 -8.59 -1.94 0
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168000 74911088 1 O4N8C25H28 A4B8C25D28 11.31 7.3 -8.38 -1.74 0
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168001 74911089 1 O4N8C25H28 A4B8C25D28 6.28 7.1 -8.56 -1.68 0
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168002 74911090 1 ClO4N8C24H25 AB4C8D24E25 11.25 8.72 -8.29 -2.23 0
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168003 74911091 1 ClO4N8C24H25 AB4C8D24E25 10.1 7.39 -8.47 -2.08 0
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168004 74911092 1 ClO4N8C24H25 AB4C8D24E25 11.9 6.67 -8.63 -1.97 0
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168005 74911093 1 O2F3N7C25H26 A2B3C7D25E26 -138.28 9.01 -8.31 -1.28 0