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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141063 52811862 1 FSO3N4C19H19 ABC3D4E19F19 -96.82 9.14 -8.61 -0.54 0
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141064 52812018 1 N2O4C21H26 A2B4C21D26 -156.56 4.68 -8.68 -0.49 0
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141065 52812121 1 ClNO5C20H26 ABC5D20E26 -197.12 3.56 -8.6 -0.53 0
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141066 52812520 1 O3N4H14C16 A3B4C14D16 41.23 3.39 -9.16 -1.25 0
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141067 52812617 1 SF2N3O3H13C16 AB2C3D3E13F16 -124.64 6.29 -9.41 -1.52 0
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141068 52812665 1 SO3N4C13H22 AB3C4D13E22 -108.99 4.15 -10.13 -0.34 0
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141069 52813037 1 ON4C20H20 AB4C20D20 55.1 5.02 -9.13 -0.83 0
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141070 52813038 2 ON2C7H11 AB2C7D11 -78.61 5.53 -9.68 0.09 0
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141071 52813053 1 N4O4C21H22 A4B4C21D22 -69.32 5.31 -8.95 -0.22 0
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141072 52813447 1 O4N5C23H23 A4B5C23D23 -11.59 7.11 -9.11 -1.66 0
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141073 52813448 1 SO3N5H17C21 AB3C5D17E21 72.69 7.89 -9.09 -1.63 0
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141074 52813477 1 FSO3N5H16C21 ABC3D5E16F21 21.39 3.43 -9.2 -1.59 0
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141075 52813478 1 O3N7H13C17 A3B7C13D17 110.49 5.07 -9.53 -1.68 0
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141076 52813775 1 N2O4C17H18 A2B4C17D18 -107.09 6.21 -9.44 -1.14 0
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141077 52814176 1 ClSN2O5H21C22 ABC2D5E21F22 -168.05 2.0 -9.22 -1.4 0
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141078 52814215 1 N2S2O4C21H28 A2B2C4D21E28 -177.62 2.34 -8.37 -0.78 0
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141079 52814329 1 BrSN3O3C20H20 ABC3D3E20F20 -38.89 5.08 -9.54 -0.94 1
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141080 52814540 1 BrON5C23H27 ABC5D23E27 92.42 3.43 0.0 0.0 0
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141081 52814578 1 O3N5H23C24 A3B5C23D24 -5.68 6.04 -9.07 -0.83 0
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141082 52815557 1 FOSN2C19H23 ABCD2E19F23 -53.39 4.5 -9.29 -1.26 0
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141083 52815652 1 O4N5C19H23 A4B5C19D23 -52.07 9.73 -9.36 -0.91 1
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141084 52816078 1 ClN2O4C25H34 AB2C4D25E34 -118.77 6.15 0.0 0.0 0
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141085 52816079 1 ClN2O4C25H33 AB2C4D25E33 -139.41 2.57 -8.11 -0.44 1
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141086 52816134 1 N2O5C25H35 A2B5C25D35 -144.12 5.12 0.0 0.0 0
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141087 52816401 1 SN2O3C15H24 AB2C3D15E24 -128.97 4.09 -9.46 -0.77 0