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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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24934 614986 1 NOC18H25 ABC18D25 -46.08 0.94 -8.58 0.35 0
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24935 614987 1 NO5C19H25 AB5C19D25 -206.28 2.01 -8.81 -0.43 0
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24936 614992 1 NP2S2C13H31 AB2C2D13E31 -170.44 7.36 -8.54 0.22 0
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24937 615076 1 O3H12C14 A3B12C14 -85.78 7.98 -8.88 -1.03 0
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24938 615077 1 NO6H23C27 AB6C23D27 -142.09 3.55 -9.65 -0.93 0
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24939 615078 2 NO2H4C6 AB2C4D6 -13.82 8.48 -8.87 -1.94 0
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24940 615079 1 O4C17H20 A4B17C20 -96.48 6.58 -8.98 -0.96 0
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24941 615083 1 F2O3H10C11 A2B3C10D11 -202.55 2.73 -9.25 -0.82 0
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24942 615084 1 BNSiC14H22 ABCD14E22 -30.77 1.59 -8.8 0.15 0
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24943 615090 1 BrNO2C19H22 ABC2D19E22 -56.92 3.89 -8.68 -0.6 0
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24944 615108 1 NO3C17H23 AB3C17D23 -108.93 4.72 -8.29 0.33 0
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24945 615110 1 SiC11H16 AB11C16 1.25 0.98 -8.91 0.43 -6
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24946 615111 2 O2N3H10C12 A2B3C10D12 21.61 5.02 -9.48 -1.05 0
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24947 615112 1 BrN2O2H5C7 AB2C2D5E7 44.97 6.36 -9.27 -1.68 0
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24948 615113 1 BrSN3O3H18C21 ABC3D3E18F21 -69.07 10.32 -8.9 -1.19 0
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24949 615114 1 BrSN3O3H20C22 ABC3D3E20F22 -67.57 4.44 -9.24 -1.34 0
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24950 615115 1 BrON2F3H6C7 ABC2D3E6F7 -164.98 3.5 -9.97 -1.12 0
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24951 615180 2 NO3H11C13 AB3C11D13 -117.84 2.8 -9.88 -0.92 0
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24952 615181 1 ClN5H8C12 AB5C8D12 138.1 6.29 -10.25 -1.46 0
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24953 615182 2 C9H14 A9B14 -40.99 0.8 -8.69 0.7 0
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24954 615183 2 C11H18 A11B18 -62.94 0.35 -8.7 0.81 0
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24955 615184 1 ClFNOSH5C9 ABCDEF5G9 -38.63 5.78 -9.02 -1.5 0
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24956 615200 1 SiO2C16H34 AB2C16D34 -198.75 2.32 -8.88 0.53 0
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24957 615214 1 OSiC17H38 ABC17D38 -169.07 1.72 -9.0 1.38 0
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24958 615215 1 SiO2C16H34 AB2C16D34 -203.47 2.86 -9.44 0.67 0
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24959 615216 1 NOF3H10C11 ABC3D10E11 -174.63 5.05 -9.73 -0.15 0
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24960 615221 1 NOSH11C13 ABCD11E13 22.33 4.41 -9.23 -0.95 0
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24961 615225 1 NOC15H19 ABC15D19 -21.83 4.2 -9.29 -0.23 0
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24962 615226 1 OSiC16H36 ABC16D36 -166.33 1.78 -8.87 1.44 0
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24963 615228 1 O2N3H11C12 A2B3C11D12 -8.39 3.27 -9.12 -1.28 0
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24965 615231 1 S2N3C9H15 A2B3C9D15 35.83 3.82 -8.4 -0.6 0
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24967 615353 1 NSO2C16H19 ABC2D16E19 -69.15 1.09 -8.54 -0.18 0
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24968 615360 1 ClN2H15C19 AB2C15D19 95.78 7.18 -9.12 -0.07 0
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24969 615465 1 O3C14H14 A3B14C14 -109.64 6.03 -9.25 -0.78 0
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24970 615499 1 N2S3C8H10 A2B3C8D10 61.66 1.94 -8.8 -1.16 0
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24971 615769 1 INOC10H12 ABCD10E12 -13.77 3.79 -9.66 -1.17 0
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24972 615772 1 IN3O4H8C12 AB3C4D8E12 34.79 5.26 -9.78 -1.8 0
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24973 615814 1 OF3N3H8C9 AB3C3D8E9 -135.33 8.95 -9.32 -1.48 0
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24975 615898 1 ION2C19H21 ABC2D19E21 38.22 5.5 -9.24 -1.15 0
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24976 615905 1 IOF3H8C14 ABC3D8E14 -126.96 1.68 -9.79 -1.33 0
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24977 615909 1 NO2H21C26 AB2C21D26 -3.09 2.62 -9.17 -0.21 0
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24978 615911 1 IN2O2H13C15 AB2C2D13E15 5.74 3.87 -8.96 -0.91 0
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24979 615967 1 NSiO2C16H23 ABC2D16E23 -105.83 6.07 -8.72 -1.08 0
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24980 616007 1 SN2C13H16 AB2C13D16 73.41 4.36 -8.98 0.03 0
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24981 616078 2 NH6C8 AB6C8 133.25 2.05 -9.5 -0.94 0
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24982 616139 1 O2N3H17C22 A2B3C17D22 48.75 3.0 -8.68 -1.02 0
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24983 616196 1 NO3C13H15 AB3C13D15 -114.3 4.67 -9.87 -0.23 0
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24984 616258 1 Si2O3C17H38 A2B3C17D38 -300.44 2.1 -9.82 0.49 0
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24985 616263 1 NO4H11C12 AB4C11D12 -97.23 2.28 -8.74 -1.55 0
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24986 616264 1 NH15C17 AB15C17 75.1 2.45 -8.22 -0.09 0