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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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51945 12014716 1 NOSH13C16 ABCD13E16 42.75 2.69 -8.08 -0.69 0
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51946 12014717 2 NOSH10C15 ABCD10E15 91.86 6.65 -8.38 -1.14 0
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51947 12014718 1 ClSC16H25 ABC16D25 -19.69 1.34 -8.04 0.37 0
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51948 12014719 1 ClSO3C16H23 ABC3D16E23 -141.11 3.75 -8.72 -0.04 0
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51949 12014720 1 SO3C23H28 AB3C23D28 -109.34 4.96 -8.83 0.04 0
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51950 12014721 1 SO2C21H24 AB2C21D24 -53.2 3.32 -8.66 -0.05 0
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51951 12014722 1 SO2C13H18 AB2C13D18 -90.22 3.18 -8.85 -0.14 0
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51952 12014723 2 NOC22H29 ABC22D29 -56.78 2.76 -8.39 -0.51 0
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51953 12014724 2 NOC26H37 ABC26D37 -83.06 2.35 -8.3 -0.38 0
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51954 12014725 1 ClSO2N3H22C28 ABC2D3E22F28 41.19 1.68 -8.75 -0.69 0
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51955 12014726 1 ClSO2N3H20C27 ABC2D3E20F27 52.05 1.34 -8.73 -0.72 0
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51956 12014727 1 SCl2O2N3H19C27 AB2C2D3E19F27 41.36 3.2 -8.92 -0.85 0
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51957 12014728 1 ClSO2N3H20C28 ABC2D3E20F28 42.85 4.26 -8.52 -1.61 0
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51958 12014729 1 SCl2O2N3H17C27 AB2C2D3E17F27 39.39 1.99 -8.74 -1.68 0
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51959 12014730 1 BrO2N3H16C25 AB2C3D16E25 52.52 2.15 -8.89 -1.64 0
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51960 12014731 1 ClSN2H15C18 ABC2D15E18 96.98 3.58 -8.28 -0.74 0
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51961 12014732 1 ClSN2H13C17 ABC2D13E17 107.75 4.29 -8.29 -0.92 0
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51962 12014733 1 SCl2N2H12C17 AB2C2D12E17 97.03 4.18 -8.42 -0.95 0
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51963 12014734 1 BrSN2H17C22 ABC2D17E22 129.85 4.12 -8.14 -1.25 1
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51964 12014735 1 BrN2H12C15 AB2C12D15 108.48 4.48 0.0 0.0 0
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51965 12014736 1 ClISN2H18C19 ABCD2E18F19 222.57 29.03 -6.33 -3.76 1
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51966 12014737 1 ClSN2H18C19 ABC2D18E19 87.88 4.03 0.0 0.0 0
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51967 12014738 1 BrISN2H20C23 ABCD2E20F23 135.73 9.67 -6.98 -1.82 1
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51968 12014739 1 BrSN2H20C23 ABC2D20E23 111.21 2.91 0.0 0.0 0
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51969 12014740 2 NOH12C13 ABC12D13 -9.36 5.66 -9.37 -0.35 0
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51970 12014741 3 NOC9H9 ABC9D9 -61.58 7.61 -9.04 -0.14 0
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51971 12014742 1 N2O3H26C27 A2B3C26D27 -58.2 7.45 -9.06 -0.2 0
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51972 12014743 1 NO3H17C19 AB3C17D19 -73.52 7.32 -9.86 -0.55 0
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51973 12014744 2 NOC13H13 ABC13D13 -10.99 6.78 -8.94 0.04 0
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51974 12014745 1 ON2C26H26 AB2C26D26 34.63 4.05 -9.14 0.0 0
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51975 12014746 1 SN2O2H22C24 AB2C2D22E24 -8.31 4.3 -9.27 -0.3 0
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51976 12014747 1 ON2C18H18 AB2C18D18 8.51 4.12 -9.44 -0.17 0
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51977 12014748 1 N2O3C20H20 A2B3C20D20 -88.74 4.84 -9.65 -0.29 0
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51978 12014749 1 O5C10H18 A5B10C18 -254.83 2.63 -10.54 0.74 0
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51979 12014750 1 NOC12H17 ABC12D17 -13.82 2.22 -7.89 0.26 0
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51980 12014751 1 NO2C15H15 AB2C15D15 -17.38 3.54 -8.14 -0.81 0
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51981 12014752 1 O3C14H22 A3B14C22 -129.8 2.8 -8.1 0.49 0
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51982 12014753 1 NOH23C26 ABC23D26 44.54 2.42 -8.46 -0.7 0
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51983 12014754 1 PSN2F3O3C24H35 ABC2D3E3F24G35 -260.34 6.04 0.0 0.0 0
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51984 12014755 1 NPSF3O3C19H30 ABCD3E3F19G30 -296.39 6.46 0.0 0.0 0
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51985 12014756 1 O3C8H10 A3B8C10 -93.23 2.38 -10.15 -1.36 0
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51986 12014757 2 O3C8H15 A3B8C15 -167.74 3.57 -9.1 -0.09 0
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51987 12014758 1 O6C17H32 A6B17C32 -175.01 1.05 -8.95 0.04 0
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51988 12014759 2 OC4H6 AB4C6 -76.01 2.12 -9.48 -0.57 0
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51989 12014760 1 O6C15H28 A6B15C28 -162.93 3.2 -9.09 0.12 0
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51990 12014761 1 O6C15H28 A6B15C28 -161.49 2.97 -9.24 -0.48 0
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51991 12014762 2 OC4H6 AB4C6 -57.6 2.15 -10.19 -0.26 0
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51992 12014763 1 Cl2O6H16C17 A2B6C16D17 -159.67 5.83 -9.13 -0.82 0
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51993 12014764 1 Cl2O6H16C17 A2B6C16D17 -173.34 5.53 -9.14 -0.76 0
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51997 12014768 1 O2N3C16H21 A2B3C16D21 -35.78 5.3 -8.78 -1.19 0
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51998 12014769 2 NO2C8H11 AB2C8D11 -128.32 2.92 -8.53 -0.67 0
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51999 12014770 1 N2O5C17H22 A2B5C17D22 -154.4 4.1 -8.84 -0.82 0
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52000 12014771 1 N2F3O5C18H21 A2B3C5D18E21 -308.73 4.73 -9.18 -1.23 0
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52001 12014772 2 N2O2C10H11 A2B2C10D11 -47.57 8.85 -8.88 -1.42 0
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52002 12014773 1 N3O6C22H27 A3B6C22D27 -176.93 4.38 -8.79 -1.14 0
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52003 12014774 1 N2F3O5C18H21 A2B3C5D18E21 -325.23 6.74 -9.16 -0.96 0
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52004 12014775 2 N2O2C10H11 A2B2C10D11 -56.13 9.27 -8.86 -1.36 0
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52005 12014776 1 N2O6C19H28 A2B6C19D28 -232.15 2.84 -9.01 -0.6 0
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52006 12014778 1 NOSH11C13 ABCD11E13 49.3 4.25 -9.0 -1.13 0
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52007 12014779 1 NOSH13C14 ABCD13E14 42.32 3.99 -8.98 -1.1 0
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52008 12014780 1 NSO2H13C14 ABC2D13E14 0.82 3.39 -9.03 -1.18 0
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52009 12014781 1 NSO2C15H15 ABC2D15E15 -6.03 3.62 -9.02 -1.15 0
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52010 12014782 1 NOSH13C14 ABCD13E14 37.97 4.34 -8.92 -1.01 0
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52011 12014783 1 NOSC15H15 ABCD15E15 30.52 3.82 -8.88 -0.95 0
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52012 12014784 1 NOSH11C13 ABCD11E13 53.0 3.35 -8.74 -1.16 0
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52013 12014785 1 NOSH13C14 ABCD13E14 45.29 3.32 -8.7 -1.15 0
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52014 12014786 1 NSO2H13C14 ABC2D13E14 -40.29 4.47 -8.81 -1.21 0
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52015 12014787 1 NSO2C15H15 ABC2D15E15 -47.09 4.77 -8.73 -1.19 0
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52016 12014788 1 NOSH13C14 ABCD13E14 -2.35 2.36 -8.65 -1.03 0
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52017 12014789 1 NOSC15H15 ABCD15E15 -9.31 2.34 -8.65 -1.01 0
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52018 12014790 1 NOSC11H11 ABCD11E11 -12.94 4.99 -9.01 -1.0 0
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52019 12014791 1 SN2F3O3H11C12 AB2C3D3E11F12 -217.09 5.39 -9.09 -1.19 0
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52020 12014792 1 SN2F3O3C12H27 AB2C3D3E12F27 -307.75 14.89 -7.98 -0.31 1
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52021 12014793 1 N2C11H27 A2B11C27 4.09 1.62 0.0 0.0 0
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52022 12014794 1 SN2F3O3C8H19 AB2C3D3E8F19 -284.6 12.17 -9.22 -0.32 1