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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147271 53786926 2 O2C13H17 A2B13C17 -135.98 7.6 -8.23 -0.52 0
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147272 53786927 1 SN2O3C22H24 AB2C3D22E24 -41.86 6.36 -8.75 -0.76 1
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147273 53786928 1 SN6O7H19C21 AB6C7D19E21 -68.12 4.47 0.0 0.0 0
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147274 53786929 1 N6O6C19H34 A6B6C19D34 -269.21 6.2 -8.74 -1.02 0
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147275 53786930 21 CH2 AB2 -84.55 0.32 -9.52 1.4 0
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147276 53786931 1 ClN2O3H13C16 AB2C3D13E16 -53.99 3.98 -8.41 -0.42 0
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147277 53786932 1 ON3C14H19 AB3C14D19 28.62 2.61 -9.5 -0.6 0
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147278 53786933 1 SN4O8C27H40 AB4C8D27E40 -365.89 11.58 -8.89 -0.48 0
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147279 53786934 1 SN4O8C27H40 AB4C8D27E40 -365.33 4.23 -9.29 -0.76 0
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147280 53786935 1 SO2N3C11H11 AB2C3D11E11 8.14 5.53 -8.83 -2.4 0
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147281 53786936 1 PSN3O5H12C21 ABC3D5E12F21 -101.64 2.67 -9.2 -1.07 0
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147282 53786937 1 SN3O5H23C27 AB3C5D23E27 -35.79 6.56 -9.04 -0.84 0
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147283 53786938 1 O3C17H18 A3B17C18 -96.76 2.3 -8.9 -0.52 0
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147284 53786939 1 N3O9C21H29 A3B9C21D29 -386.82 4.19 -9.98 -0.98 0
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147285 53786940 1 ClSO4C16H21 ABC4D16E21 -179.75 7.0 -10.0 -0.98 0
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147286 53786941 2 OC5H10 AB5C10 -130.09 1.95 -9.86 2.08 0
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147287 53786942 1 N2F3O3H15C17 A2B3C3D15E17 -187.84 6.15 -9.3 -0.79 0
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147288 53786943 1 N5O12C21H35 A5B12C21D35 -562.81 7.06 -10.03 -0.72 0
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147289 53786944 2 O3C10H16 A3B10C16 -120.26 5.91 -9.08 -1.26 1
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147290 53786945 1 N2C16H31 A2B16C31 -16.75 2.31 0.0 0.0 0
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147291 53786946 1 N2O5C11H14 A2B5C11D14 -174.18 5.9 -11.36 -0.46 0
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147292 53786947 1 ClNSO4C12H14 ABCD4E12F14 -140.59 7.5 -9.32 -0.8 0
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147293 53786948 1 O2H10Br14C27 A2B10C14D27 162.61 1.44 -9.4 -2.06 0
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147294 53786949 2 NOC13H18 ABC13D18 -67.06 1.48 -8.85 -0.4 0
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147295 53786950 2 NOC11H12 ABC11D12 -34.92 2.15 -8.84 -0.41 0