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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165517 74560407 1 NO2C7H11 AB2C7D11 -90.08 4.57 -10.22 0.54 0
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165518 74560516 1 O2N4C15H18 A2B4C15D18 -2.03 9.54 -9.06 -2.11 0
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165519 74560517 1 O2N3H13C16 A2B3C13D16 37.47 7.99 -9.16 -1.94 0
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165520 74560758 1 N2O5C28H34 A2B5C28D34 -122.22 19.7 -7.99 -0.18 1
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165521 74560794 1 OCl2N3C20H26 AB2C3D20E26 5.78 6.75 0.0 0.0 0
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165522 74561231 1 O2S2N3C16H21 A2B2C3D16E21 -55.93 2.4 -8.64 -1.03 -2
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165523 74561232 1 SF3N3O4H10C20 AB3C3D4E10F20 -159.45 15.88 -8.86 -2.34 0
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165524 74561233 1 O2N7C30H35 A2B7C30D35 78.61 11.46 -8.28 -1.58 1
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165525 74561234 1 ON7C26H30 AB7C26D30 115.73 12.37 0.0 0.0 0
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165526 74561235 1 ON7C26H29 AB7C26D29 218.63 11.95 -6.88 -2.47 0
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165527 74561236 1 FO2N7C28H40 AB2C7D28E40 -67.84 2.9 -8.21 -0.1 0
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165528 74561237 1 O3N7C29H33 A3B7C29D33 45.51 9.8 -8.19 -1.61 0
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165529 74561501 1 N3O4C13H17 A3B4C13D17 -110.45 8.5 -10.27 -1.88 1
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165530 74561502 1 N3O4C13H18 A3B4C13D18 -99.05 6.53 0.0 0.0 1
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165531 74561530 1 NO3C17H28 AB3C17D28 -101.18 2.17 0.0 0.0 1
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165532 74561601 1 ON4C28H31 AB4C28D31 51.68 6.79 0.0 0.0 1
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165533 74561730 1 SN2C10H15 AB2C10D15 48.35 2.56 0.0 0.0 1
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165534 74561905 1 NC12H20 AB12C20 -2.19 2.27 0.0 0.0 0
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165535 74562121 1 O5N6C27H34 A5B6C27D34 -88.7 7.27 -9.57 -0.18 -1
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165536 74562192 1 N3O5C24H26 A3B5C24D26 -89.56 10.44 0.0 0.0 1
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165537 74562519 1 ClON5C19H23 ABC5D19E23 26.52 6.78 0.0 0.0 1
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165538 74562590 1 N4O5C26H27 A4B5C26D27 -64.94 5.08 0.0 0.0 -1
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165539 74562591 1 N3O5H10C14 A3B5C10D14 8.01 3.48 0.0 0.0 -1
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165540 74562592 1 N3O5H18C20 A3B5C18D20 -69.5 22.12 0.0 0.0 -2
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165541 74562593 1 FSN2O5H11C19 ABC2D5E11F19 -81.64 11.64 -8.51 -2.11 1