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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140538 52717059 1 N2O3C23H24 A2B3C23D24 -72.58 4.47 -8.31 -0.42 0
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140539 52717060 1 NO3C24H27 AB3C24D27 -82.59 5.62 -8.62 -0.6 0
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140540 52717064 1 N3O4C23H35 A3B4C23D35 -191.34 2.09 -9.34 -0.09 0
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140541 52717151 1 FN2O2C20H23 AB2C2D20E23 -95.4 4.86 -7.82 0.0 0
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140542 52717263 1 FN2O4C19H21 AB2C4D19E21 -177.07 3.79 -8.3 -0.03 1
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140543 52717569 1 FSN3O3C25H29 ABC3D3E25F29 -76.02 16.03 0.0 0.0 0
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140544 52717656 1 ClSN2O4C19H23 ABC2D4E19F23 -152.23 5.58 -8.34 -0.29 -1
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140545 52717657 1 ClSN2O4C18H20 ABC2D4E18F20 -105.69 9.89 0.0 0.0 0
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140546 52717658 1 ClSN2O4C18H21 ABC2D4E18F21 -142.77 6.78 -8.46 -0.32 -1
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140547 52717659 1 ClSN2O4H20C22 ABC2D4E20F22 -68.7 1.83 0.0 0.0 0
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140548 52717660 1 ClSN2O4H21C22 ABC2D4E21F22 -104.87 6.94 -8.26 -0.64 -1
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140549 52717661 1 ClSN2O4H20C22 ABC2D4E20F22 -65.19 5.92 0.0 0.0 0
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140550 52717662 1 ClSN2O4H21C22 ABC2D4E21F22 -105.07 7.62 -8.27 -0.67 -1
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140551 52717663 1 SN3O5C16H16 AB3C5D16E16 -51.99 6.64 0.0 0.0 0
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140552 52717664 1 SN3O5C16H17 AB3C5D16E17 -92.87 2.52 -8.62 -1.59 0
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140553 52717940 1 N2O2F3C19H25 A2B2C3D19E25 -257.37 3.04 -9.57 -1.16 1
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140554 52718004 1 F2N3O3C22H24 A2B3C3D22E24 -149.57 10.38 0.0 0.0 0
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140555 52718005 1 F2N3O3C22H23 A2B3C3D22E23 -170.55 3.92 -9.27 -0.56 1
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140556 52718006 1 F2N3O3C22H24 A2B3C3D22E24 -151.66 6.23 0.0 0.0 0
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140557 52718007 1 F2N3O3C22H23 A2B3C3D22E23 -170.49 4.63 -9.27 -0.42 0
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140558 52718008 1 SN3O4C25H39 AB3C4D25E39 -195.29 6.49 -9.02 -0.3 0
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140559 52718242 1 O4N5C16H17 A4B5C16D17 -4.27 6.42 -8.95 -1.43 0
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140560 52718996 1 BrN2O2C19H21 AB2C2D19E21 -56.88 3.13 -9.1 -0.44 0
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140561 52719107 1 ClF2O2N4H21C24 AB2C2D4E21F24 -52.06 7.5 -9.15 -0.69 0
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140562 52719583 1 SN2O4C23H36 AB2C4D23E36 -193.73 9.04 -8.84 -0.12 0