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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140013 52630737 1 ON3C23H25 AB3C23D25 17.22 6.2 -8.31 -0.68 1
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140014 52630738 1 SN4O4C23H31 AB4C4D23E31 -112.61 5.8 0.0 0.0 1
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140015 52631141 1 FO3N4C22H34 AB3C4D22E34 -152.19 3.84 0.0 0.0 0
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140016 52631142 1 FO3N4C22H33 AB3C4D22E33 -177.51 4.54 -8.58 -0.47 1
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140017 52631143 1 FO3N4C22H34 AB3C4D22E34 -153.13 4.5 0.0 0.0 0
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140018 52631290 1 NO3C21H27 AB3C21D27 -109.73 3.59 -8.59 0.12 0
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140019 52631495 1 O2N3C26H31 A2B3C26D31 -55.91 7.58 -8.68 -0.02 0
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140020 52631938 1 SN3O4C25H35 AB3C4D25E35 -163.21 4.98 -9.58 -0.61 0
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140021 52632787 1 ClSN2O2C25H25 ABC2D2E25F25 -33.63 4.17 -9.4 -0.6 0
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140022 52632852 1 SN3O4C21H33 AB3C4D21E33 -189.86 3.07 -9.41 -0.05 1
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140023 52633008 1 O2N5C21H24 A2B5C21D24 -8.22 4.4 0.0 0.0 0
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140024 52633009 1 O2N5C21H23 A2B5C21D23 -9.06 3.04 -8.43 -0.89 0
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140025 52633371 1 O2N5H23C26 A2B5C23D26 17.92 4.51 -7.9 -1.1 0
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140026 52633372 1 O2F3N5C24H24 A2B3C5D24E24 -176.2 5.27 -8.72 -1.27 0
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140027 52633373 1 SO3N5H21C22 AB3C5D21E22 -26.34 6.13 -8.36 -0.65 0
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140028 52633374 1 SN4O4C22H22 AB4C4D22E22 -52.52 7.06 -8.13 -0.61 1
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140029 52634016 1 BrN2O2C18H28 AB2C2D18E28 -60.9 2.4 0.0 0.0 0
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140030 52634338 1 O2S2N4C21H26 A2B2C4D21E26 -56.38 8.96 -8.43 -1.19 0
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140031 52634828 1 OSN4C21H22 ABC4D21E22 81.74 8.2 -8.11 -0.83 0
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140032 52634950 1 SN3O4H15C17 AB3C4D15E17 -22.67 5.35 -9.37 -1.38 0
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140033 52634956 1 FOSN3C18H24 ABCD3E18F24 -39.64 7.12 -8.93 -0.71 0
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140034 52634957 1 FOSN3C18H24 ABCD3E18F24 -41.13 5.62 -8.74 -0.63 0
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140035 52634958 1 FOSN3C18H24 ABCD3E18F24 -40.35 4.2 -8.52 -0.6 0
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140036 52634959 1 BrFOSN4H16C18 ABCDE4F16G18 10.13 3.97 -9.14 -0.83 0
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140037 52635054 1 O2N3S3C16H27 A2B3C3D16E27 -66.51 3.95 -8.84 -1.29 0
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140038 52635055 1 O2N3S3C16H27 A2B3C3D16E27 -62.8 4.72 -8.84 -1.3 0
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140039 52635186 1 OSN4C18H30 ABC4D18E30 -3.79 3.84 -8.68 -0.06 0
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140040 52635187 1 OSN4C18H30 ABC4D18E30 -0.67 3.12 -8.35 0.29 0
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140041 52635316 1 ClO3N4C22H25 AB3C4D22E25 -90.23 5.77 -8.04 -0.73 0
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140042 52635508 2 NO2C10H12 AB2C10D12 -56.36 6.9 -9.45 -1.42 1
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140043 52635671 1 SN3O3C20H24 AB3C3D20E24 -39.71 14.91 0.0 0.0 0
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140044 52635672 1 SN3O3C20H23 AB3C3D20E23 -64.21 8.9 -8.11 -0.67 1
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140045 52635673 1 O2N3C22H24 A2B3C22D24 -6.06 23.32 0.0 0.0 0
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140046 52635674 1 O2N3C22H23 A2B3C22D23 -29.51 6.12 -7.7 -1.14 0
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140047 52635863 1 OF2N2H16C20 AB2C2D16E20 -54.43 4.1 -8.76 -0.62 0
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140048 52635999 1 FSN2O2C20H23 ABC2D2E20F23 -91.45 3.52 -8.8 -1.02 0
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140049 52636049 1 SN3O3H21C25 AB3C3D21E25 -12.92 7.53 -8.75 -0.95 0
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140050 52637057 1 FSN3O3H18C21 ABC3D3E18F21 -56.38 3.26 -8.09 -1.14 0
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140051 52637259 2 ON3H9C11 AB3C9D11 77.97 15.01 -9.03 -1.59 0
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140052 52637385 1 FN2O2H15C19 AB2C2D15E19 -69.04 6.86 -9.49 -1.01 0
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140053 52637386 1 FOCl2N3H18C20 ABC2D3E18F20 -37.05 3.82 -9.38 -1.1 0
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140054 52637387 1 ClFNO3H17C22 ABCD3E17F22 -97.34 1.61 -9.73 -0.98 0
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140055 52638061 1 BrNOF3C17H25 ABCD3E17F25 -255.91 5.88 -9.98 -0.12 0
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140056 52638303 1 FSN3O4C21H22 ABC3D4E21F22 -154.68 11.18 -9.41 -0.86 0
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140057 52638365 1 ClSN2O5C19H29 ABC2D5E19F29 -228.01 5.81 -9.67 -1.06 0
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140058 52638656 1 BrN3O3H18C20 AB3C3D18E20 -28.87 3.27 -8.84 -0.56 0
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140059 52638755 1 OSN2F4C17H18 ABC2D4E17F18 -212.06 5.04 -9.36 -1.37 0
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140060 52638756 1 OSN2F3C18H23 ABC2D3E18F23 -193.82 2.59 -9.1 -0.66 0
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140061 52639095 1 O2F3N3C19H22 A2B3C3D19E22 -212.87 2.83 -9.4 -1.32 0
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140062 52639096 1 BrN2O3C16H21 AB2C3D16E21 -131.11 6.0 -8.98 -0.27 0