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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85902 49880001 1 ClON2H18C19 ABC2D18E19 37.06 2.33 0.0 0.0 -1
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85903 49880008 1 ClSBr2O2N3H17C19 ABC2D2E3F17G19 27.37 5.76 0.0 0.0 -1
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85904 49880012 1 BrNO5H17C19 ABC5D17E19 -81.64 1.32 0.0 0.0 -1
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85905 49880021 1 BrClO2N3C12H12 ABC2D3E12F12 29.74 4.33 0.0 0.0 -1
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85906 49880025 1 BrClO2N3H10C11 ABC2D3E10F11 -34.04 3.71 0.0 0.0 -1
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85907 49880026 1 BrClO2N3C14H16 ABC2D3E14F16 -16.09 3.2 0.0 0.0 -1
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85908 49880047 1 ClN2O2H16C17 AB2C2D16E17 8.97 2.51 0.0 0.0 -1
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85909 49880068 1 ClO2N4H14C20 AB2C4D14E20 36.84 8.74 0.0 0.0 -1
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85910 49880069 1 ClO2N4H14C20 AB2C4D14E20 62.9 7.03 0.0 0.0 -1
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85911 49880078 1 ClSN2O4C11H22 ABC2D4E11F22 -150.86 6.14 0.0 0.0 -1
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85912 49880108 1 ClN3O4C20H27 AB3C4D20E27 -104.2 4.12 0.0 0.0 -1
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85913 49880109 1 ClO2N5C19H19 AB2C5D19E19 109.38 9.44 0.0 0.0 -1
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85914 49880130 1 ClN2O6H20C22 AB2C6D20E22 -168.47 7.93 0.0 0.0 -1
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85915 49880131 1 ClN2O4H18C20 AB2C4D18E20 -82.84 3.64 0.0 0.0 -1
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85916 49880147 1 ClSO2N3C21H23 ABC2D3E21F23 24.21 5.66 0.0 0.0 -1
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85917 49880200 1 ClO2N5C21H25 AB2C5D21E25 91.45 10.8 0.0 0.0 -1
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85918 49880210 1 ClN2O5H20C21 AB2C5D20E21 -127.78 16.07 0.0 0.0 -1
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85919 49880211 1 ClN2O5C22H22 AB2C5D22E22 -96.91 10.61 0.0 0.0 -1
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85920 49880212 1 OCl2N3H16C21 AB2C3D16E21 78.17 4.17 0.0 0.0 -1
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85921 49880221 1 ClN4C19H20 AB4C19D20 118.11 3.0 0.0 0.0 -1
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85922 49880251 1 ClFSO2N3H14C16 ABCD2E3F14G16 -36.87 2.25 0.0 0.0 -1
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85923 49880263 1 ClO2N3C19H25 AB2C3D19E25 -21.85 1.42 0.0 0.0 -1
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85924 49880286 1 ClSO2N3H17C20 ABC2D3E17F20 51.56 5.84 0.0 0.0 -1
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85925 49880291 1 ClO2N4C15H20 AB2C4D15E20 4.28 5.7 0.0 0.0 -1
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85926 49880295 1 ClN4O5H16C17 AB4C5D16E17 -6.11 10.34 0.0 0.0 -1
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85927 49880302 1 ClN3C12H19 AB3C12D19 23.04 1.31 0.0 0.0 -1
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85928 49880305 1 ClN3C14H17 AB3C14D17 57.65 0.79 0.0 0.0 -1
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85929 49880310 1 ClON3C15H19 ABC3D15E19 24.57 2.03 0.0 0.0 -1
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85930 49880323 1 Cl2N2O3H11C16 A2B2C3D11E16 -62.02 3.98 0.0 0.0 -1
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85931 49880326 1 Cl2N2O3C13H13 A2B2C3D13E13 -95.37 1.11 0.0 0.0 -1
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85932 49880330 1 Cl2N2O3H15C18 A2B2C3D15E18 -69.4 6.87 0.0 0.0 -1
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85933 49880332 1 Cl2N2O4H17C19 A2B2C4D17E19 -114.01 5.24 0.0 0.0 -1
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85934 49880334 1 Cl2O3N4H19C22 A2B3C4D19E22 24.61 2.86 0.0 0.0 -1
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85935 49880337 1 ClO2N3H13C16 AB2C3D13E16 11.05 5.05 0.0 0.0 -1
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85936 49880339 1 ClN2O4C17H18 AB2C4D17E18 -91.28 3.29 0.0 0.0 -2
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85937 49880340 1 Cl2N3C8H13 A2B3C8D13 186.66 3.35 -8.44 -7.73 -1
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85938 49880342 1 ClN2F3O3H13C18 AB2C3D3E13F18 -182.96 9.14 0.0 0.0 -1
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85939 49880343 1 ClN2F3O3H11C17 AB2C3D3E11F17 -220.52 9.23 0.0 0.0 -1
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85940 49880345 1 ClF3N3O3H18C21 AB3C3D3E18F21 -184.06 8.75 0.0 0.0 -1
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85941 49880346 1 ClO2F3N3H22C23 AB2C3D3E22F23 -198.34 10.64 0.0 0.0 -1
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85942 49880365 1 ClSN2C11H14 ABC2D11E14 63.63 1.72 0.0 0.0 -1
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85943 49880372 1 IN2C16H16 AB2C16D16 64.54 4.58 0.0 0.0 -1
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85944 49880389 1 ClO2N3C13H15 AB2C3D13E15 7.44 6.12 0.0 0.0 -1
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85945 49880405 1 ClON3C19H19 ABC3D19E19 64.36 5.62 0.0 0.0 -1
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85946 49880434 1 ClN4C16H22 AB4C16D22 63.86 2.2 0.0 0.0 -1
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85947 49880466 1 ClF3N3O3H14C17 AB3C3D3E14F17 -164.52 5.77 0.0 0.0 -1
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85948 49880476 1 ClO2N5H15C17 AB2C5D15E17 73.24 4.84 0.0 0.0 0
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85949 49880511 1 S2N5O5C27H27 A2B5C5D27E27 -78.05 5.22 -9.02 -1.43 0
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85950 49880514 1 SO3N4C22H24 AB3C4D22E24 -29.27 4.41 -8.99 -0.94 0
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85951 49880515 1 SO3N4H24C27 AB3C4D24E27 13.41 2.22 -8.83 -0.78 0
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85952 49880520 1 FSO2N3H18C19 ABC2D3E18F19 -27.0 4.69 -8.79 -0.56 0
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85953 49880554 1 SN4O5C22H22 AB4C5D22E22 -103.66 5.72 -9.06 -0.94 0
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85954 49880606 1 SN3O4C23H25 AB3C4D23E25 -82.28 3.11 -8.92 -0.89 0
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85955 49880627 1 SO2N4H18C20 AB2C4D18E20 52.1 5.61 -8.89 -0.93 0
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85956 49880637 1 SN3O4H19C24 AB3C4D19E24 -28.26 6.37 -8.81 -1.1 0
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85957 49880641 1 S2O3N5H23C28 A2B3C5D23E28 55.39 6.41 -8.81 -1.07 0
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85958 49880643 1 S2O3N6C25H26 A2B3C6D25E26 24.4 1.5 -8.86 -1.02 0
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85959 49880644 1 ClSO2N3H18C19 ABC2D3E18F19 9.2 4.76 -9.05 -0.62 0
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85960 49880646 1 SN4O4C21H22 AB4C4D21E22 -65.86 6.48 -8.52 -0.65 0
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85961 49880670 1 SO2N3C19H19 AB2C3D19E19 19.22 4.14 -8.78 -0.27 0
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85962 49880677 1 SN4O5H20C21 AB4C5D20E21 -110.22 7.54 -9.14 -1.04 0
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85963 49880680 1 SN3O4C22H23 AB3C4D22E23 -68.59 6.89 -8.9 -0.82 0
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85964 49880684 1 SO4N5H23C26 AB4C5D23E26 -29.65 2.9 -8.51 -0.66 0
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85965 49880687 1 SO3N4C28H28 AB3C4D28E28 -13.85 7.21 -8.8 -0.89 0
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85966 49880692 1 SO3N4C21H22 AB3C4D21E22 -31.84 3.35 -8.71 -0.81 0
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85967 49880695 1 S2N4O7C23H24 A2B4C7D23E24 -206.7 2.57 -8.93 -1.28 0
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85968 49880709 1 ClSN4O4H21C25 ABC4D4E21F25 -28.43 3.31 -8.83 -0.8 0
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85969 49880710 1 SO4N5H27C28 AB4C5D27E28 -39.11 10.84 -8.27 -0.77 0
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85970 49880716 1 FSO3N4H19C20 ABC3D4E19F20 -64.45 4.33 -8.99 -0.73 0
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85971 49880719 1 SN3O4C19H25 AB3C4D19E25 -115.53 2.78 -8.92 -0.51 0
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85972 49880723 1 SN3O4C21H23 AB3C4D21E23 -59.19 6.25 -8.1 -0.29 0
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85973 49880724 1 SN3O3C23H27 AB3C3D23E27 -36.7 3.39 -8.64 -0.3 0
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85974 49880735 1 SO3N7H19C23 AB3C7D19E23 74.5 8.08 -9.09 -1.42 0
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85975 49880736 1 S2O3N5H19C25 A2B3C5D19E25 49.93 5.52 -8.9 -1.07 0
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85976 49880738 1 SO3N4C28H28 AB3C4D28E28 -8.37 2.66 -8.81 -0.66 0