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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401000 135049722 1 AlNPSi2Cl4C13H35 ABCD2E4F13G35 -423.4 16.7 -9.76 -0.59 0
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401001 135049726 1 ON2H6C10 AB2C6D10 59.41 4.47 -9.11 -1.19 0
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401002 135049728 1 CoC13H15 AB13C15 91.32 23.63 -10.9 -5.48 0
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401004 135049737 1 O2S4H15C24 A2B4C15D24 57.42 4.66 0.0 0.0 0
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401005 135049745 1 ClNO2H14C17 ABC2D14E17 -6.14 5.94 -9.09 -1.12 0
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401006 135049763 4 O3C14H18 A3B14C18 13.19 15.15 -5.32 -4.22 0
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401007 135049767 1 NSeO3H23C29 ABC3D23E29 -29.9 1.45 -8.36 -0.99 0
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401008 135049775 1 Si2O3C21H40 A2B3C21D40 -212.57 5.66 -8.68 -0.57 0
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401009 135049777 1 SO3C10H10 AB3C10D10 -88.13 3.44 -9.23 -0.83 0
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401010 135049778 1 NOCl2H11C16 ABC2D11E16 28.87 6.96 -9.8 -1.17 0
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401011 135049779 1 OPCl2Si2C14H23 ABC2D2E14F23 -165.84 4.74 -7.44 -1.75 0
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401012 135049780 1 NP2C31H55 AB2C31D55 -12.61 5.19 -7.4 -0.44 0
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401014 135049783 1 N3C20H29 A3B20C29 79.96 3.64 -8.91 0.15 0
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401015 135049784 3 NC7H11 AB7C11 48.88 3.55 -9.24 0.24 0
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401016 135049787 1 NSiF3O6C15H26 ABC3D6E15F26 -503.6 4.99 -10.1 0.09 0
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401017 135049788 2 OC10H12 AB10C12 -34.64 1.97 -9.05 0.27 0
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401018 135049790 1 NPO4C17H30 ABC4D17E30 -235.09 4.42 -9.22 0.6 0
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401020 135049795 2 NO3C7H8 AB3C7D8 -125.88 6.59 -9.38 -1.55 0
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401021 135049797 1 BrNS2F3O5H11C14 ABC2D3E5F11G14 -303.36 5.79 -9.21 -1.73 0
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401022 135049798 2 S3C8H14 A3B8C14 38.84 4.47 -7.84 -0.84 0
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401023 135049805 1 PN2C33H51 AB2C33D51 19.16 0.36 -8.04 -0.66 0
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401024 135049808 1 BrO3C18H21 AB3C18D21 -89.44 2.03 -8.76 -0.39 0
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401025 135049809 1 PSSiF3N3O3C36H59 ABCD3E3F3G36H59 -341.8 20.07 -9.1 -0.48 0
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401026 135049811 1 SO3C19H22 AB3C19D22 -76.48 5.55 -9.09 -0.25 0
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401027 135049815 2 PO4C8H13 AB4C8D13 -464.87 1.37 -9.53 -0.2 0
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401028 135049816 1 P2O8C11H24 A2B8C11D24 -490.61 3.66 -9.2 0.49 0
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401029 135049817 2 OC11H13 AB11C13 -19.14 1.46 -9.15 0.27 0
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401030 135049818 1 SO2N3C16H25 AB2C3D16E25 -65.32 6.74 -8.43 -0.6 0
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401031 135049822 1 ClNOPC32H33 ABCDE32F33 -2.49 6.38 -8.98 -0.29 0
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401032 135049823 1 BrNSO2H14C15 ABCD2E14F15 -25.39 6.01 -8.67 -0.64 0
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401033 135049825 1 NO2C14H23 AB2C14D23 -94.06 3.47 -10.46 -0.38 0
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401034 135049827 1 O2C21H22 A2B21C22 -30.58 5.64 -9.49 -0.66 0
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401035 135049828 2 OH8C9 AB8C9 -8.9 2.99 -9.41 -0.49 0
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401036 135049833 1 NPWSi2F3O5C20H23 ABCD2E3F5G20H23 -491.05 7.25 -7.62 -1.09 0
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401037 135049872 2 ClC6F10 AB6C10 -963.51 0.32 -12.17 -1.16 0
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401038 135049874 1 ClNO2H14C17 ABC2D14E17 -7.87 6.89 -9.62 -0.96 0
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401039 135049878 1 WP2N3O5C24H43 AB2C3D5E24F43 21.24 7.42 -7.19 0.0 0
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401040 135049884 1 OH10C12 AB10C12 71.33 1.82 -9.6 -0.12 0
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401041 135049886 1 O7C12H14 A7B12C14 -250.16 3.1 -10.91 -1.2 0
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401042 135049889 1 OS2C13H16 AB2C13D16 -5.28 1.78 -8.48 -0.55 0
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401043 135049900 1 O3C13H20 A3B13C20 -136.47 0.97 -9.34 -0.21 0
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401044 135049901 1 NSiF3O6C16H28 ABC3D6E16F28 -511.17 4.53 -10.17 0.35 0
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401045 135049904 1 NO3C19H21 AB3C19D21 -95.05 1.05 -8.66 -0.18 0
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401046 135049906 1 NOH19C21 ABC19D21 15.68 4.15 -8.76 -0.66 0
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401047 135049907 1 BrNaH2O3C5 ABC2D3E5 -127.02 10.2 -9.56 -0.96 0
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401048 135049915 2 OC6H10 AB6C10 -95.84 1.43 -9.23 1.11 0
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401049 135049917 1 SnO2C23H48 AB2C23D48 -140.31 2.45 -8.6 0.59 0
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401050 135049920 1 NSO3H25C26 ABC3D25E26 -48.33 2.77 -8.87 -0.24 0
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401051 135049921 2 NC4H8 AB4C8 11.39 3.44 -9.24 0.7 1
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401052 135049935 1 NS2H20C22 AB2C20D22 97.17 3.04 0.0 0.0 1
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401053 135049936 1 NO2S2C19H20 AB2C2D19E20 -28.48 2.35 0.0 0.0 0
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401054 135049937 2 OC9H9 AB9C9 -48.45 2.72 -9.32 -0.51 0
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401055 135049939 1 F3O5C13H15 A3B5C13D15 -369.78 6.22 -10.78 -1.22 0
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401056 135049940 1 SF3O3H13C14 AB3C3D13E14 -250.78 3.1 -9.47 -1.32 0
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401057 135049941 1 O4C17H28 A4B17C28 -214.91 2.55 -10.54 -0.07 0
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401058 135049942 1 N3O8H15C18 A3B8C15D18 -116.08 7.63 -10.52 -2.15 0
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401059 135049944 1 BrN3O9H18C21 AB3C9D18E21 -158.4 6.83 -10.31 -2.28 0
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401060 135049945 1 BrN3O8H16C23 AB3C8D16E23 -78.33 7.02 -10.12 -2.24 0
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401061 135049946 1 S2O6C17H24 A2B6C17D24 -220.23 2.22 -9.39 0.13 0
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401062 135049950 1 NSiC21H37 ABC21D37 -42.84 1.99 -8.76 0.46 0
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401063 135049953 1 O7C35H38 A7B35C38 -182.28 3.67 -8.82 -0.02 0
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401064 135049956 2 OC5H6 AB5C6 -60.46 2.11 -8.75 0.34 1
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401065 135049959 1 N3O3C16H16 A3B3C16D16 -3.79 3.64 0.0 0.0 1
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401066 135049961 1 NS2H18C21 AB2C18D21 96.33 2.64 0.0 0.0 0
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401067 135049962 1 ClPBr4C12H14 ABC4D12E14 -37.4 3.29 -9.48 -1.36 0
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401068 135049964 1 SO3C12H14 AB3C12D14 -88.42 4.68 -9.36 -1.03 0
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401069 135049966 1 SiN2C11H12 AB2C11D12 75.11 5.93 -9.82 -1.01 0
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401070 135049967 1 O3C12H16 A3B12C16 -113.23 0.78 -9.72 -0.62 0
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401071 135049968 1 ClSO2C13H17 ABC2D13E17 -76.42 4.93 -9.76 -0.22 1
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401072 135049973 1 NS2C18H20 AB2C18D20 49.92 2.49 0.0 0.0 0
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401073 135049976 1 SO4C18H24 AB4C18D24 -153.5 5.77 -9.92 -0.51 1
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401074 135049985 1 ClNC13H17 ABC13D17 28.12 4.16 0.0 0.0 0
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401075 135049992 1 N3O9H17C20 A3B9C17D20 -158.75 8.74 -10.42 -2.2 0
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401076 135050008 1 NO9H25C30 AB9C25D30 -267.43 2.48 -10.0 -0.81 0
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401077 135050032 1 N2C23H28 A2B23C28 50.93 4.4 -8.72 -0.09 0
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401078 135050036 1 CrNC12H15 ABC12D15 121.02 1.99 -7.37 -0.35 0
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401079 135050038 1 SO2C24H34 AB2C24D34 -104.06 1.86 -9.06 -0.35 0
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401080 135050041 1 N3O8H17C23 A3B8C17D23 -82.95 7.59 -10.11 -2.1 0
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401081 135050042 1 BrN3O8H14C18 AB3C8D14E18 -112.07 6.91 -10.27 -2.29 0
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401082 135050043 1 SeO3C17H24 AB3C17D24 14.18 5.5 -8.94 -2.79 0
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401083 135050044 1 LiO6C15H21 AB6C15D21 -133.22 14.18 -6.26 0.43 0
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401084 135050046 1 F2O2C7H10 A2B2C7D10 -171.95 4.72 -9.52 0.5 0
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401085 135050052 1 BrNO3C16H16 ABC3D16E16 -108.5 1.45 -9.47 -0.88 0
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401086 135050058 1 SO3C13H18 AB3C13D18 -102.41 1.14 -9.15 -0.3 0
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401087 135050059 1 S16O36C109H124 A16B36C109D124 -1250.67 7.45 -7.92 -0.78 0
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401088 135050063 1 O3C13H14 A3B13C14 -86.55 5.08 -10.01 -0.79 0
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401089 135050084 1 O3C18H22 A3B18C22 -79.58 3.89 -8.21 0.15 0
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401090 135050096 1 SiLi2O3C11H20 AB2C3D11E20 -194.32 10.63 -7.1 0.83 0
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401091 135050098 1 LiSiO4C18H33 ABC4D18E33 -156.62 14.49 -7.02 -0.35 0
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401092 135050099 1 BNOSF4C11H12 ABCDE4F11G12 -333.98 15.53 -9.39 -1.49 0
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401093 135050100 1 OC9H14 AB9C14 -23.53 1.72 -9.21 0.39 0
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401094 135050102 1 SO4C19H26 AB4C19D26 -164.65 3.97 -10.02 -0.5 0
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401095 135050103 1 O3C16H16 A3B16C16 -71.73 2.36 -8.99 -0.58 0
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401096 135050104 1 O3C16H26 A3B16C26 -160.72 3.45 -9.26 0.37 0
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401097 135050108 1 SN2O11C27H30 AB2C11D27E30 -410.02 7.38 -9.52 -0.9 0
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401098 135050113 1 LiOC8H13 ABC8D13 -7.48 6.33 -7.06 2.24 0
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401099 135050114 1 BrO11C19H27 AB11C19D27 -515.96 3.22 -10.5 -0.54 0
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401100 135050115 1 BrN4O6C15H23 AB4C6D15E23 -299.24 5.42 -9.63 -0.73 0
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401101 135050120 1 ON4H18C20 AB4C18D20 101.67 3.36 -8.8 -0.95 0
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401102 135050121 1 LiN3C16H34 AB3C16D34 -48.72 5.26 -6.47 2.39 0