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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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294450 117461834 1 N2O3C16H18 A2B3C16D18 -53.06 3.06 -9.28 -0.72 0
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294451 117461860 1 N2O3C16H18 A2B3C16D18 -40.66 5.33 -8.74 -1.35 0
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294452 117461890 1 N2O3C16H18 A2B3C16D18 -86.16 10.7 -8.95 -0.3 0
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294453 117461891 1 N2O3C16H18 A2B3C16D18 -51.6 8.77 -8.84 -0.56 0
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294454 117461969 1 SO5C13H18 AB5C13D18 -206.66 5.29 -9.45 -0.33 0
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294455 117461980 1 SO5C13H18 AB5C13D18 -181.72 5.93 -8.72 -0.18 0
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294456 117461993 1 FSN2O2C13H19 ABC2D2E13F19 -109.97 4.34 -8.8 -0.82 0
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294457 117462063 1 ON4C16H22 AB4C16D22 42.27 4.93 -8.62 -0.5 0
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294458 117462072 1 ON4C16H22 AB4C16D22 15.89 4.27 -8.43 0.1 0
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294459 117462176 1 N2C19H30 A2B19C30 -4.31 2.53 -8.58 0.7 0
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294460 117462212 1 BrClN3H9C10 ABC3D9E10 52.88 1.39 -8.59 -0.53 0
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294461 117462238 1 ClF2N2O2H9C12 AB2C2D2E9F12 -126.99 9.5 -10.04 -1.27 0
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294462 117462246 1 ClO6H11C12 AB6C11D12 -212.45 6.65 -9.27 -1.31 0
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294463 117462347 1 ClO5C13H15 AB5C13D15 -208.46 4.46 -8.91 -0.61 0
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294464 117462432 1 ClFO3C14H16 ABC3D14E16 -156.0 3.58 -9.28 -0.68 0
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294465 117462440 1 ClFN2O2C13H16 ABC2D2E13F16 -95.39 4.8 -8.7 -0.43 0
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294466 117462449 1 ClO4C14H19 AB4C14D19 -173.66 4.6 -8.84 -0.31 0
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294467 117462491 1 ClO4C14H19 AB4C14D19 -177.3 4.43 -8.81 -0.35 0
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294468 117462539 1 ClSO3C13H15 ABC3D13E15 -107.31 3.6 -8.68 -0.74 0
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294469 117462646 1 BrFN2O2H8C10 ABC2D2E8F10 -38.29 2.99 -8.77 -0.65 0
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294470 117462666 1 BrO4C11H11 AB4C11D11 -139.84 4.97 -8.86 -0.63 0
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294471 117462711 1 BrO4C11H11 AB4C11D11 -141.8 2.82 -9.27 -0.78 0
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294472 117462790 1 BrN2O3C10H11 AB2C3D10E11 -10.91 3.25 -9.76 -1.77 0
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294473 117462800 1 BrFO2C12H12 ABC2D12E12 -107.92 4.44 -9.62 -0.68 0
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294474 117462835 1 BrFO2C12H12 ABC2D12E12 -105.32 4.05 -9.68 -0.47 0
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294475 117462853 1 BrO3C12H15 AB3C12D15 -135.6 6.31 -9.18 -0.35 0
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294476 117462879 1 BrO3C12H15 AB3C12D15 -119.2 4.71 -8.76 -0.13 0
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294477 117463118 1 BrO3C12H15 AB3C12D15 -139.91 5.48 -9.32 -0.35 0
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294478 117463120 1 BrO3C12H15 AB3C12D15 -135.66 4.3 -9.1 -0.2 0
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294479 117463198 1 BrFN2C12H16 ABC2D12E16 -25.98 4.61 -8.99 -0.15 0
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294480 117463279 1 NOF6C11H11 ABC6D11E11 -351.03 2.92 -9.96 -0.57 0
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294481 117463340 1 NF2O4C13H15 AB2C4D13E15 -232.36 7.52 -9.64 -0.85 0
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294482 117463464 1 FNO5C13H18 ABC5D13E18 -227.78 4.17 -8.51 -0.26 0
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294483 117463467 1 NSO6C11H13 ABC6D11E13 -220.84 7.01 -9.35 -1.09 0
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294484 117463724 1 NO3C17H21 AB3C17D21 -84.66 3.92 -8.47 -0.06 0
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294485 117463757 1 NO3C17H21 AB3C17D21 -70.17 2.12 -8.97 -0.26 0
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294486 117463761 1 NO3C17H21 AB3C17D21 -109.44 3.81 -9.26 -0.92 0
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294487 117463983 1 NO2C18H25 AB2C18D25 -89.63 3.09 -9.03 0.05 0
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294488 117464054 1 NO2C18H25 AB2C18D25 -85.66 2.24 -8.51 0.12 0
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294489 117464059 1 NO2C18H25 AB2C18D25 -65.48 2.12 -9.15 -0.05 0
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294490 117464062 1 NO2C18H25 AB2C18D25 -72.23 6.04 -8.73 -0.03 0
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294491 117464072 1 ON3C17H25 AB3C17D25 -24.84 5.81 -8.88 0.1 0
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294492 117464119 1 ON3C17H25 AB3C17D25 -25.18 5.13 -8.81 0.21 0
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294493 117464294 1 ClFNO5H7C11 ABCD5E7F11 -150.6 1.85 -8.74 -2.33 0
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294494 117464295 1 ClFNO5H7C11 ABCD5E7F11 -162.39 8.63 -9.31 -1.56 0
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294495 117464298 1 ClNF2O3H8C12 ABC2D3E8F12 -155.43 5.55 -10.16 -1.65 0
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294496 117464312 1 ClNF2O2H12C13 ABC2D2E12F13 -148.83 5.04 -9.49 -0.76 0
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294497 117464484 1 ClNF2C15H20 ABC2D15E20 -105.91 4.98 -9.4 -0.37 0
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294498 117464641 1 BrNO4C10H10 ABC4D10E10 -95.43 5.32 -8.31 -0.99 0
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294499 117464648 1 BrNO4C10H10 ABC4D10E10 -126.98 4.41 -9.4 -0.83 0