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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406947 135078964 1 NOSSnC33H45 ABCDE33F45 4.07 5.4 -8.31 -0.56 0
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406948 135078965 1 NO4C13H15 AB4C13D15 -118.22 2.67 -9.72 -0.32 0
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406949 135078966 1 NO4C15H15 AB4C15D15 -138.19 1.99 -8.64 -0.19 0
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406950 135078967 1 NO3C15H17 AB3C15D17 -73.89 6.46 -8.28 -0.46 0
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406951 135078982 1 NO2C13H13 AB2C13D13 3.26 7.05 -9.57 -0.1 0
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406952 135078991 1 NSO2C21H23 ABC2D21E23 14.1 4.92 -9.34 -0.33 0
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406953 135079011 1 N2F3O5C21H25 A2B3C5D21E25 -331.83 5.31 -10.44 -1.29 1
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406954 135079012 1 N2F3O5C21H26 A2B3C5D21E26 -330.54 4.74 0.0 0.0 0
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406955 135079013 1 OSnC20H42 ABC20D42 -113.96 2.92 -7.98 0.38 0
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406956 135079014 1 NSiO3C12H23 ABC3D12E23 -192.04 5.2 -9.35 0.48 0
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406957 135079015 1 ClPdN2C15H27 ABC2D15E27 213.55 6.07 -6.5 -0.22 0
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406958 135079016 1 NO4C17H17 AB4C17D17 -89.13 3.73 -8.58 -0.5 0
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406959 135079017 1 NO3H11C15 AB3C11D15 -38.28 4.09 -8.87 -1.41 0
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406960 135079018 1 NH15C16 AB15C16 83.46 2.31 -8.86 -0.26 0
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406961 135079019 1 NOPC28H28 ABCD28E28 -18.08 3.89 -8.84 -0.42 0
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406962 135079020 1 NOPC24H26 ABCD24E26 -34.49 3.94 -8.97 0.1 0
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406963 135079021 2 O2C7H8 A2B7C8 -120.9 4.11 -9.6 -1.01 0
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406964 135079022 1 ClNOPC24H25 ABCDE24F25 -44.26 4.79 -9.07 -0.26 0
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406965 135079023 1 NPO2C25H28 ABC2D25E28 -74.59 4.19 -8.76 0.21 0
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406966 135079024 1 NSCl2O3H11C14 ABC2D3E11F14 -61.31 6.53 -9.64 -0.78 0
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406967 135079025 1 NSO3C13H19 ABC3D13E19 -100.19 5.77 -9.58 -0.34 0
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406968 135079026 1 IO2C16H23 AB2C16D23 -66.25 3.1 -9.55 -0.81 0
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406969 135079029 1 ClNSi2O4C28H56 ABC2D4E28F56 -333.88 5.32 -8.66 0.23 0
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406970 135079030 1 NSiO8C30H47 ABC8D30E47 -407.64 3.83 -9.69 -0.74 0
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406971 135079031 1 SN2F3O5H21C24 AB2C3D5E21F24 -246.29 1.97 -9.36 -1.84 1
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406972 135079035 1 ClN2O2H6C9 AB2C2D6E9 13.41 1.79 0.0 0.0 0
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406973 135079038 1 OSiC14H26 ABC14D26 -94.42 1.19 -8.75 0.93 1
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406974 135079041 1 N2O2C12H13 A2B2C12D13 16.69 3.5 0.0 0.0 0
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406975 135079045 1 BrNSO2C18H34 ABCD2E18F34 -125.63 6.88 -7.6 0.11 0
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406976 135079049 1 NSO2C17H23 ABC2D17E23 -47.07 4.93 -9.36 -0.35 0
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406977 135079058 1 NSO2C17H23 ABC2D17E23 -7.83 4.56 -9.55 -0.55 0
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406978 135079067 1 SN2O4H12C14 AB2C4D12E14 -15.01 6.63 -9.8 -1.87 0
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406979 135079070 1 NO5C14H17 AB5C14D17 -132.86 3.33 -10.24 -1.59 0
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406980 135079071 2 NOH5C8 ABC5D8 32.91 6.61 -9.68 -1.9 1
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406981 135079072 1 NO2C16H26 AB2C16D26 -85.07 2.15 0.0 0.0 0
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406982 135079073 1 NO2C16H25 AB2C16D25 -75.52 2.93 -8.79 0.16 0
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406983 135079074 1 N2O4H10C15 A2B4C10D15 -3.22 6.17 -9.74 -1.9 0
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406984 135079075 1 BrNO2F3C15H17 ABC2D3E15F17 -238.59 4.09 -9.79 -1.0 0
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406985 135079076 1 BrFNO2C14H17 ABCD2E14F17 -127.52 3.11 -9.52 -0.51 0
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406986 135079078 1 N5O6C22H31 A5B6C22D31 -200.03 5.7 -9.41 -0.74 0
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406987 135079079 1 ClNOH16C21 ABCD16E21 44.68 4.16 -8.89 -0.59 0
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406988 135079080 1 BrO5C15H19 AB5C15D19 -180.35 3.13 -8.57 -0.36 0
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406989 135079081 1 NPO6C29H40 ABC6D29E40 -319.31 2.93 -9.26 0.04 0
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406990 135079082 1 SSiN2O9C29H36 ABC2D9E29F36 -286.8 11.39 -9.02 -1.1 0
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406991 135079083 1 SO3C18H18 AB3C18D18 -83.86 6.03 -8.21 -0.78 0
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406992 135079084 1 ClNO2H10C16 ABC2D10E16 -9.72 5.89 -9.44 -1.23 0
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406993 135079085 1 BBrO2N3F4H5C7 ABC2D3E4F5G7 -254.96 13.24 -11.33 -3.34 0
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406994 135079086 1 NO5C18H21 AB5C18D21 -183.23 6.23 -8.48 -1.3 0
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406995 135079087 1 NH15C16 AB15C16 71.9 1.04 -8.46 -0.07 0
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406996 135079088 1 NF3H12C16 AB3C12D16 -70.57 3.09 -8.67 -0.88 0