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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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284950 104085383 1 SN2O2C12H18 AB2C2D12E18 -79.97 4.99 -8.79 -0.36 0
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284951 104085384 1 FNSO2C11H16 ABCD2E11F16 -126.77 2.24 -8.25 -0.46 0
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284952 104085437 1 OSN2C12H14 ABC2D12E14 -7.75 6.38 -8.2 -0.86 0
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284953 104085445 1 OSN2C9H14 ABC2D9E14 -34.86 3.61 -8.35 -0.24 0
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284954 104085483 1 NOSC12H19 ABCD12E19 -47.21 0.94 -8.92 -0.03 0
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284955 104085576 1 ClNOS2C11H18 ABCD2E11F18 -47.74 2.45 -9.18 -0.74 0
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284956 104085633 1 ClSN2O2C11H15 ABC2D2E11F15 -92.56 1.71 -8.5 -0.4 0
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284957 104085634 1 NOSC13H21 ABCD13E21 -54.94 1.3 -8.84 0.14 0
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284958 104085635 1 BrNOSC11H16 ABCDE11F16 -32.65 3.42 -9.02 -0.48 0
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284959 104085782 1 SO2N3C13H15 AB2C3D13E15 -7.96 3.0 -9.02 -1.04 0
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284960 104085831 1 OSF3N3C10H12 ABC3D3E10F12 -164.34 2.85 -9.5 -1.46 0
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284961 104085833 1 FOSN2C10H13 ABCD2E10F13 -61.22 2.1 -9.2 -1.01 0
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284962 104085835 1 OSN3C13H19 ABC3D13E19 -27.86 5.07 -8.86 -0.48 0
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284963 104085836 1 FOSN2C10H13 ABCD2E10F13 -62.17 1.41 -9.35 -0.89 0
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284964 104085868 1 OSN2C10H22 ABC2D10E22 -65.12 4.45 -8.75 0.53 0
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284965 104085869 1 SN2O2C12H18 AB2C2D12E18 -57.25 4.33 -8.87 -0.3 0
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284966 104085911 1 NOSC12H19 ABCD12E19 -41.12 2.92 -8.83 -0.33 0
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284967 104085945 1 ClNOSC11H16 ABCDE11F16 -47.91 3.37 -8.96 -0.51 0
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284968 104086038 1 ClSO2N3C9H14 ABC2D3E9F14 -62.48 3.57 -9.57 -1.04 0
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284969 104086341 1 ClSN2H11C13 ABC2D11E13 58.87 4.75 -9.12 -1.44 0
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284970 104086357 1 ClNOSC10H14 ABCDE10F14 -36.24 4.95 -8.46 -0.36 0
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284971 104086358 1 ClNSC10H10 ABCD10E10 33.64 4.38 -9.2 -1.01 0
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284972 104086390 1 ClNOSC9H12 ABCDE9F12 -26.99 2.35 -8.56 -0.44 0
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284973 104086407 1 ClN2S2C6H9 AB2C2D6E9 21.42 1.04 -9.24 -0.86 0
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284974 104086816 1 OS2C8H12 AB2C8D12 -30.17 2.36 -8.72 -0.14 0
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284975 104086973 1 SO3C12H16 AB3C12D16 -111.88 4.78 -8.85 -0.6 0
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284976 104087082 1 FSO2C13H15 ABC2D13E15 -90.6 1.7 -9.04 -0.79 0
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284977 104087199 1 NSO3C15H29 ABC3D15E29 -157.41 1.2 -8.87 0.49 0
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284978 104087338 1 SN2O2C9H20 AB2C2D9E20 -114.19 5.12 -8.66 0.63 0
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284979 104087374 1 NSO3C11H23 ABC3D11E23 -165.82 3.19 -8.73 0.39 0
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284980 104087450 1 OSN2C12H20 ABC2D12E20 -41.59 2.0 -8.46 -0.18 0
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284981 104087454 1 OS2N3C6H11 AB2C3D6E11 -7.16 2.84 -9.08 -1.02 0
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284982 104087560 1 NSO3C10H13 ABC3D10E13 -110.76 4.57 -9.37 -1.28 0
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284983 104087811 1 NS2O4C9H13 AB2C4D9E13 -88.47 3.59 -9.13 -1.6 0
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284984 104087921 1 NOSC11H25 ABCD11E25 -88.78 2.8 -8.68 0.64 0
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284985 104088220 1 OSN5C14H25 ABC5D14E25 -34.44 5.36 -8.99 -0.06 0
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284986 104088251 1 OSN5C12H21 ABC5D12E21 -23.1 4.21 -8.96 0.06 0
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284987 104088253 1 OSN7C10H15 ABC7D10E15 52.58 5.65 -9.46 -1.23 0
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284988 104088283 1 OSN3C10H15 ABC3D10E15 -8.41 2.37 -9.09 -0.36 0
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284989 104088294 1 OSN3C9H15 ABC3D9E15 -31.41 3.63 -9.01 -0.42 0
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284990 104088295 1 SO2N5C12H21 AB2C5D12E21 -56.67 3.95 -9.07 -0.12 0
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284991 104088301 1 SO2N4C9H16 AB2C4D9E16 -60.73 4.19 -9.23 -0.48 0
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284992 104088302 1 SN2O3C9H12 AB2C3D9E12 -50.05 5.76 -8.76 -1.21 0
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284993 104088413 1 OSN4C13H16 ABC4D13E16 25.77 1.42 -9.24 -0.93 -1
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284994 104088806 1 BOSF3C8H9 ABCD3E8F9 -273.98 7.89 0.0 0.0 0
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284995 104089010 1 NO2C16H23 AB2C16D23 -26.73 2.79 -8.4 0.2 0
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284996 104089051 1 BrNO2C16H22 ABC2D16E22 -14.0 4.41 -8.98 -0.33 0
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284997 104089057 1 BrNO2C17H24 ABC2D17E24 -21.14 4.64 -8.92 -0.29 0
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284998 104089146 1 NO2C17H25 AB2C17D25 -39.1 2.39 -8.24 0.28 0
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284999 104089150 1 NO2C18H27 AB2C18D27 -43.82 4.7 -8.45 0.15 0
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285000 104089153 1 NOCl2C16H21 ABC2D16E21 -18.18 4.41 -9.32 -0.47 0
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285001 104089583 1 NSC8H15 ABC8D15 29.95 1.46 -8.62 0.67 0
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285002 104089585 1 NSC10H19 ABC10D19 19.04 1.97 -8.37 0.96 0
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285003 104089679 1 BrClNC11H11 ABCD11E11 57.5 3.32 -8.52 -0.32 0
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285004 104089789 1 O3H12C13 A3B12C13 -52.69 4.12 -9.45 -0.59 0
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285005 104090124 1 NOC13H17 ABC13D17 11.05 1.24 -8.63 0.27 0
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285006 104090275 1 NSO4C11H17 ABC4D11E17 -147.41 7.55 -10.0 0.23 0
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285007 104090417 2 NC6H10 AB6C10 25.32 3.32 -8.78 1.73 0
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285008 104090444 1 N2C9H16 A2B9C16 30.7 3.16 -8.76 1.79 0
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285009 104090606 1 OC15H20 AB15C20 -3.55 1.67 -9.24 0.33 0
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285010 104090612 1 O4C15H20 A4B15C20 -97.67 3.46 -8.86 -0.17 0
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285011 104090614 1 OC18H18 AB18C18 38.65 1.66 -9.25 -0.28 0
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285012 104090623 1 OC13H16 AB13C16 6.6 1.25 -9.31 0.27 0
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285013 104090668 1 OC14H18 AB14C18 2.87 1.4 -9.38 0.36 0
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285014 104090672 1 OC14H18 AB14C18 -6.45 2.82 -9.34 0.43 0
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285015 104090691 1 OC13H22 AB13C22 -43.88 1.89 -10.18 1.88 0
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285016 104090851 1 NOC11H19 ABC11D19 -20.86 2.33 -8.9 1.61 0
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285017 104090863 1 OF3H11C13 AB3C11D13 -142.71 4.7 -10.49 -1.04 0
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285018 104090870 1 NOC11H11 ABC11D11 42.73 2.47 -10.29 -0.91 0
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285019 104090880 1 OCl2H12C13 AB2C12D13 -7.95 2.97 -9.58 -0.61 0
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285020 104090890 1 ClO3C14H15 AB3C14D15 -51.94 5.66 -8.84 -0.76 0
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285021 104091016 1 BrOSC13H13 ABCD13E13 23.19 3.59 -9.1 -0.85 0
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285022 104091018 1 BrFOH10C12 ABCD10E12 -24.52 2.28 -10.14 -1.22 0
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285023 104091068 1 FO2C13H13 AB2C13D13 -56.67 5.48 -9.53 -0.42 0
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285024 104091248 1 O2C9H16 A2B9C16 -72.92 2.31 -10.01 1.87 0