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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392911 135018424 1 N3O3C16H25 A3B3C16D25 -120.41 6.34 -9.43 -0.28 0
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392913 135018431 1 BrO5H25C28 AB5C25D28 -131.48 2.81 -9.67 -0.43 0
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392914 135018435 1 NO2F3H16C17 AB2C3D16E17 -153.15 3.22 -8.95 -0.79 0
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392915 135018438 1 NO2F3C18H18 AB2C3D18E18 -164.94 3.64 -8.99 -0.64 0
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392916 135018439 1 NO2F3C18H18 AB2C3D18E18 -164.22 2.63 -8.81 -0.7 1
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392917 135018452 1 N2O3C21H23 A2B3C21D23 -84.51 4.31 0.0 0.0 0
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392918 135018455 1 NO4C19H27 AB4C19D27 -171.29 3.6 -9.68 0.05 0
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392919 135018464 1 ClON4C20H25 ABC4D20E25 -3.96 3.36 -9.02 -0.1 0
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392920 135018465 1 NO3C19H27 AB3C19D27 -105.73 3.72 -8.86 0.56 0
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392921 135018466 1 NO4C19H27 AB4C19D27 -110.0 2.37 -9.11 0.23 0
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392922 135018478 1 NO2C18H23 AB2C18D23 -60.13 2.88 -9.45 0.28 0
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392923 135018491 1 NO4C29H33 AB4C29D33 -97.9 2.08 -9.04 0.07 0
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392925 135018549 1 C27H46 A27B46 -82.96 0.38 -9.37 1.53 0
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392926 135018553 1 NSO5C17H19 ABC5D17E19 -134.34 6.58 -10.01 -1.66 0
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392927 135018556 1 ClN3H14C15 AB3C14D15 63.52 4.32 -8.41 -0.8 0
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392928 135018557 1 O7C14H20 A7B14C20 -298.66 2.24 -10.59 -0.13 0
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392929 135018560 1 ON2C21H28 AB2C21D28 -17.05 3.47 -8.49 -0.42 0
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392931 135018562 1 OH12C17 AB12C17 113.05 2.1 -8.57 -0.53 0
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392932 135018563 1 N3O4H27C29 A3B4C27D29 -51.58 3.06 -8.94 -1.16 0
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392933 135018564 1 RbO2N4H17C22 AB2C4D17E22 -12.68 12.72 -7.71 -1.23 1
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392934 135018574 1 N2O8H21C23 A2B8C21D23 -215.41 3.14 0.0 0.0 0
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392935 135018575 1 N2O7H14C18 A2B7C14D18 -185.9 2.8 -9.64 -2.32 1
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392936 135018576 1 N2O7H15C18 A2B7C15D18 -195.63 6.98 0.0 0.0 0
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392937 135018577 1 N2O8H22C23 A2B8C22D23 -138.53 2.07 -9.31 -2.19 1
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392938 135018580 1 SiN2O7C32H41 AB2C7D32E41 -242.21 3.53 0.0 0.0 1
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392939 135018582 1 N2O8H21C23 A2B8C21D23 -200.2 1.25 0.0 0.0 0
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392940 135018592 1 IN2F6O8C37H39 AB2C6D8E37F39 -586.61 6.37 -9.11 -1.45 0
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392941 135018606 2 O3C8H8 A3B8C8 -190.58 5.65 -9.64 -0.73 0
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392942 135018612 1 SN2O2H12C15 AB2C2D12E15 86.5 5.76 -8.9 -1.22 0
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392943 135018613 1 O9C41H66 A9B41C66 -406.04 2.2 -8.8 -0.48 0
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392944 135018622 1 N3O4H15C17 A3B4C15D17 -94.3 4.96 -8.49 -1.26 0
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392945 135018625 1 SN2O5C18H22 AB2C5D18E22 -97.94 10.44 -8.89 -0.92 0
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392946 135018627 2 OH17C18 AB17C18 15.11 0.49 -8.32 -0.78 0
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392947 135018631 1 FN2O5C16H23 AB2C5D16E23 -243.4 5.29 -9.49 -0.52 0
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392948 135018637 1 N3O4C15H29 A3B4C15D29 -151.66 6.76 -7.62 -0.52 1
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392949 135018638 1 N3O4C15H30 A3B4C15D30 -156.17 5.53 0.0 0.0 0
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392951 135018672 1 NO6C14H21 AB6C14D21 -247.41 1.24 -10.07 -0.9 0
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392952 135018674 1 NO8C18H29 AB8C18D29 -410.14 2.63 -10.13 0.26 -1
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392953 135018676 1 YC7H7 AB7C7 114.09 3.04 -5.41 -0.99 0
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392954 135018688 1 ClON2H15C16 ABC2D15E16 7.09 4.25 -8.58 -0.59 0
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392955 135018692 1 SO3H12C18 AB3C12D18 -33.7 4.74 -8.06 -1.26 0
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392956 135018696 1 NO5C22H23 AB5C22D23 -169.46 5.36 -8.64 -0.2 0
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392957 135018697 1 SiO2C15H28 AB2C15D28 -157.97 2.22 -8.41 0.94 0
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392962 135018706 1 NP2O4C16H19 AB2C4D16E19 -198.18 6.57 -9.19 -0.5 0
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392963 135018707 1 ClSN2O2H13C16 ABC2D2E13F16 67.5 6.19 -8.76 -1.19 0
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392964 135018717 1 N3O11C40H49 A3B11C40D49 -389.46 5.37 -9.3 -0.17 0
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392965 135018718 1 N2Cl3O10C22H25 A2B3C10D22E25 -426.51 4.45 -9.88 -0.61 0
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392966 135018723 1 NO2H23C25 AB2C23D25 0.34 3.36 -8.19 -0.26 0
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392967 135018724 1 O7C20H24 A7B20C24 -254.03 4.23 -8.46 -0.62 0
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392968 135018727 1 BrSO3H5C8 ABC3D5E8 -42.88 4.18 -9.87 -1.22 0