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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383317 134974964 1 N3O6C13H21 A3B6C13D21 -214.64 3.22 -9.81 0.1 0
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383319 134974968 1 NSO6C14H21 ABC6D14E21 -264.46 6.23 -9.06 -0.2 0
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383321 134974971 3 OC3H4 AB3C4 -77.84 2.4 -9.95 0.06 0
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383322 134974979 2 NC11H14 AB11C14 38.88 2.79 -8.13 0.23 0
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383323 134974981 1 N2C21H26 A2B21C26 32.69 3.36 -8.48 0.18 0
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383324 134974984 1 N2O3C15H18 A2B3C15D18 -110.77 6.54 -9.56 0.0 0
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383325 134974986 1 N2O5C20H28 A2B5C20D28 -234.07 2.79 -9.48 0.11 0
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383326 134974990 1 INOC15H24 ABCD15E24 -53.98 5.36 -8.83 -0.65 0
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383327 134974992 2 C14H29 A14B29 -141.53 0.05 -10.24 3.96 0
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383328 134974993 1 O4C17H26 A4B17C26 -199.68 3.53 -9.46 0.12 0
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383329 134974996 1 N2O3C16H28 A2B3C16D28 -182.6 3.65 -9.46 0.27 2
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383330 134975001 1 RhP2S2O8C26H28 AB2C2D8E26F28 -304.93 34.6 0.0 0.0 0
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383331 134975002 1 PSO4C13H13 ABC4D13E13 -141.81 3.92 -8.91 -0.89 0
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383332 134975003 1 PSO4C13H13 ABC4D13E13 -142.57 1.5 -8.6 -0.6 0
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383333 134975004 1 NO3H15C20 AB3C15D20 -44.69 5.12 -8.74 -1.04 0
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383334 134975005 1 NO4H17C22 AB4C17D22 -85.84 3.14 -8.89 -1.0 0
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383335 134975006 1 NO4H19C22 AB4C19D22 -95.85 1.45 -8.96 -0.75 0
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383336 134975007 1 N2H18C21 A2B18C21 82.69 1.03 -8.23 -0.52 0
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383337 134975008 1 ON2H14C18 AB2C14D18 76.8 2.51 -9.18 -0.82 0
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383338 134975009 1 PN2O5C15H23 AB2C5D15E23 -238.95 5.21 -9.28 -0.46 0
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383339 134975010 1 PSN2O4C15H23 ABC2D4E15F23 -202.07 2.91 -8.88 -0.17 0
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383340 134975011 2 ON2C8H11 AB2C8D11 -41.18 6.0 -8.87 -0.56 0
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383341 134975012 2 N2O5C21H31 A2B5C21D31 -485.25 8.38 -8.86 -1.16 2
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383342 134975013 1 N4O4C27H40 A4B4C27D40 -142.42 11.25 -8.06 -0.72 0
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383343 134975014 1 N4O4C27H38 A4B4C27D38 -132.41 7.41 -8.94 -1.21 0
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383344 134975015 1 O5C10H12 A5B10C12 -181.05 5.14 -10.31 0.44 0
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383345 134975016 1 SN2O2H18C19 AB2C2D18E19 1.4 5.31 -8.2 -0.54 0
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383346 134975019 1 SN2O2C21H22 AB2C2D21E22 -26.97 6.9 -8.68 -0.31 0
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383347 134975021 2 OSC9H13 ABC9D13 -75.37 1.02 -8.01 0.22 0
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383348 134975022 2 NO2C12H19 AB2C12D19 -191.87 1.67 -8.75 0.45 0
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383349 134975023 1 ClNS2O3C21H32 ABC2D3E21F32 -136.32 5.96 -9.02 -0.66 0
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383350 134975024 1 ClNSC10H18 ABCD10E18 -35.2 2.38 -8.49 0.18 0
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383351 134975025 2 NC5H10 AB5C10 -10.37 2.83 -8.02 2.8 0
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383352 134975026 1 N2H22C25 A2B22C25 85.94 2.95 -8.05 0.15 2
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383354 134975028 1 C17H24 A17B24 -16.18 0.24 -8.06 0.49 0
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383355 134975029 2 SO3C11H13 AB3C11D13 -232.04 1.22 -8.91 -1.5 0
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383356 134975033 1 O3C22H30 A3B22C30 -99.95 0.98 -9.03 -1.02 0
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383357 134975035 1 NO3H17C18 AB3C17D18 -42.07 1.84 -9.13 -0.38 0
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383358 134975039 1 O3H28C30 A3B28C30 8.3 4.01 -8.03 -0.63 0
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383359 134975040 1 ON2C14H28 AB2C14D28 -64.69 3.23 -8.08 2.46 0
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383360 134975044 15 CH2 AB2 -59.85 0.43 -9.17 1.49 0
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383361 134975045 1 NSO3H15C17 ABC3D15E17 -44.09 7.32 -8.92 -0.47 0
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383362 134975046 1 NSO5C20H23 ABC5D20E23 -110.59 6.19 -9.72 -0.74 0
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383363 134975048 1 INF3O3H15C18 ABC3D3E15F18 -195.46 6.21 -9.29 -1.45 0
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383366 134975052 1 O7C25H36 A7B25C36 -281.65 1.98 -8.76 0.05 0
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383367 134975054 1 O5C12H14 A5B12C14 -164.3 3.54 -10.21 -0.27 0
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383368 134975055 1 NO5C13H21 AB5C13D21 -209.13 3.29 -9.86 0.85 0
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383369 134975056 1 NOH25C27 ABC25D27 35.33 3.28 -8.08 -0.37 0
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383370 134975057 1 O3C42H52 A3B42C52 -74.99 0.42 -7.98 0.12 0
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383371 134975058 1 N3O3C17H19 A3B3C17D19 -81.4 1.21 -8.43 -0.56 0