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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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392969 135018728 1 N2O3C18H20 A2B3C18D20 -12.47 5.4 -8.56 -0.4 0
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392970 135018732 1 OSC16H18 ABC16D18 -1.1 1.56 -9.06 -0.15 0
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392971 135018733 1 OPN2H25C30 ABC2D25E30 82.5 0.2 -8.56 -0.35 0
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392972 135018738 1 NOC26H39 ABC26D39 -82.39 2.7 -8.27 0.58 0
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392973 135018745 1 O5C21H26 A5B21C26 -183.56 4.17 -9.57 0.08 0
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392974 135018749 1 NO10C20H25 AB10C20D25 -434.46 1.35 -9.68 -0.14 0
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392975 135018751 1 SN2O2H20C22 AB2C2D20E22 5.93 5.68 -8.65 -0.48 0
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392976 135018752 1 SN2O2H22C23 AB2C2D22E23 -7.76 7.9 -8.27 -0.55 0
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392977 135018758 2 NSO2C13H16 ABC2D13E16 -61.66 11.26 -9.14 -0.46 0
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392978 135018759 1 NSO4C18H21 ABC4D18E21 -81.86 6.18 -9.6 -0.48 0
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392979 135018760 1 N3O7C11H15 A3B7C11D15 -285.45 3.53 -10.23 -0.77 0
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392980 135018762 1 O6H20C27 A6B20C27 -149.2 6.19 -8.79 -1.13 0
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392981 135018763 1 O6H20C27 A6B20C27 -142.61 5.22 -8.9 -1.04 0
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392982 135018766 1 ClO2C11H17 AB2C11D17 -62.36 2.3 -8.67 -0.4 0
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392983 135018767 1 OC19H22 AB19C22 22.27 1.04 -8.77 -0.36 0
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392984 135018769 1 O4C23H26 A4B23C26 -160.91 2.41 -8.97 0.15 0
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392985 135018774 1 SN2O3H14C16 AB2C3D14E16 44.64 6.97 -8.84 -1.16 0
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392990 135018835 1 O5C22H34 A5B22C34 -214.31 6.67 -9.46 0.5 0
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392991 135018842 1 ClSO3H15C16 ABC3D15E16 -83.44 1.61 -9.2 -0.5 0
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392992 135018843 1 O2C13H20 A2B13C20 -95.66 1.24 -9.45 0.28 0
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392993 135018844 1 SiO2C25H28 AB2C25D28 -87.09 3.14 -9.06 0.01 0
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392994 135018845 2 O2H9C10 A2B9C10 -103.03 3.95 -8.79 -0.97 0
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392995 135018846 1 N2O5H30C32 A2B5C30D32 -123.25 2.24 -8.53 -0.68 0
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392996 135018847 1 N2O5H30C32 A2B5C30D32 -126.98 3.19 -8.54 -0.67 0
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392998 135018858 1 F3O3C13H13 A3B3C13D13 -263.71 2.76 -9.58 -0.39 0
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392999 135018862 1 NSO3C20H23 ABC3D20E23 -64.45 4.14 -9.47 -0.31 0
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393001 135018867 1 OC14H22 AB14C22 -79.47 3.85 -9.68 0.86 0
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393002 135018868 1 O2N3C6H15 A2B3C6D15 -82.98 2.28 -9.42 1.92 0
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393003 135018871 1 NO2C22H23 AB2C22D23 -17.5 3.24 -7.83 0.22 0
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393004 135018872 1 NC22H23 AB22C23 49.43 0.61 -7.89 0.19 0
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393005 135018875 1 NO2C24H27 AB2C24D27 -31.97 2.57 -7.66 0.29 0
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393006 135018881 2 OC6H7 AB6C7 -47.42 3.23 -9.23 -0.41 0
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393007 135018893 1 LiN2C21H27 AB2C21D27 24.77 3.35 -7.22 0.29 0
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393008 135018899 1 N2O5H22C28 A2B5C22D28 -27.19 4.53 -8.43 -1.64 0
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393009 135018900 1 O2H14C19 A2B14C19 32.48 1.78 -8.19 -0.64 0
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393010 135018905 1 N3O6C21H29 A3B6C21D29 -186.53 5.88 -9.43 -0.1 0
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393011 135018906 1 SiO8C26H40 AB8C26D40 -400.1 1.32 -8.88 -0.01 0
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393012 135018907 1 N3O7C18H29 A3B7C18D29 -270.48 2.29 -10.08 -0.22 0
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393013 135018915 1 ClO6H19C27 AB6C19D27 -153.1 6.26 -8.92 -1.07 0
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393014 135018918 1 NSiO4C15H29 ABC4D15E29 -280.17 1.79 -9.75 0.51 0
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393015 135018942 1 NO6C15H19 AB6C15D19 -181.74 1.05 -10.29 -0.76 0
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393016 135018951 1 ClNOF3H11C17 ABCD3E11F17 -135.28 5.43 -9.17 -1.33 0
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393017 135018958 1 O5H12C16 A5B12C16 -131.21 5.72 -9.61 -1.44 0
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393018 135018968 1 O2C23H24 A2B23C24 -38.34 4.18 -9.23 -0.07 0
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393019 135018986 1 O3C19H34 A3B19C34 -158.28 2.32 -10.05 1.34 0
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393020 135018987 1 O3C14H22 A3B14C22 -129.03 1.61 -9.53 0.95 0
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393021 135018988 1 FeNC3O3H5 ABC3D3E5 59.33 5.53 -8.61 -1.57 0
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393022 135018989 1 NOH13C15 ABC13D15 16.92 3.85 -8.54 -0.65 0
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393023 135018990 1 NH15C20 AB15C20 78.39 2.32 -8.81 -0.72 0
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393024 135018991 1 NO5C24H25 AB5C24D25 -119.96 3.34 -8.82 -0.18 0