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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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300409 121270605 1 ClO2N6C27H29 AB2C6D27E29 10.75 9.38 -8.49 -1.08 0
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300424 121280595 1 S2O4N5H31C32 A2B4C5D31E32 12.54 2.43 -8.62 -0.83 0
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300425 121280656 1 SO4H12C14 AB4C12D14 -99.78 5.58 -9.4 -0.78 0
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300426 121280676 1 N3O9C41H77 A3B9C41D77 -450.18 7.0 -9.44 0.44 0
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300427 121280677 1 PO6C7H17 AB6C7D17 -295.4 2.61 -9.3 0.82 0
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300428 121280732 1 ON7H19C24 AB7C19D24 115.19 2.52 -9.09 -1.23 0
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300429 121280801 1 O4N5H19C25 A4B5C19D25 -0.36 8.24 -8.85 -1.06 1
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300430 121280806 1 NO3C13H14 AB3C13D14 -23.52 5.84 0.0 0.0 0
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300431 121280960 1 FOC11H11 ABC11D11 -32.41 1.09 -9.79 -0.21 0
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300432 121280967 1 Cl2O2N3F4H17C19 A2B2C3D4E17F19 -264.47 6.07 -9.91 -1.58 0
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300433 121280971 1 N2O6C21H36 A2B6C21D36 -332.76 4.49 -9.58 0.36 0
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300434 121281216 1 BrClN2O3H12C13 ABC2D3E12F13 -80.82 1.66 -9.11 -0.95 0
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300435 121281487 1 SN3O5C20H25 AB3C5D20E25 -169.31 5.53 -8.67 -1.04 0
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300436 121281571 1 SN4O6H16C19 AB4C6D16E19 -107.84 4.45 -8.82 -1.69 0
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300437 121281600 1 BrN2O2F3H10C13 AB2C2D3E10F13 -196.81 3.25 -9.98 -1.04 0
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300438 121281633 1 SN3O6C20H23 AB3C6D20E23 -167.83 3.22 -8.23 -1.08 0
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300439 121281644 1 SN5O6C28H37 AB5C6D28E37 -176.23 5.96 -9.15 -0.78 0
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300440 121281657 1 SF3N3O5C18H18 AB3C3D5E18F18 -277.59 5.51 -9.2 -1.47 0
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300441 121281658 1 SO2F3N3H16C17 AB2C3D3E16F17 -141.86 8.13 -8.92 -1.01 0
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300442 121281870 1 Cl2O3N7C24H33 A2B3C7D24E33 -77.84 6.41 -9.01 -1.44 0
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300443 121282125 1 ClO2N8C14H15 AB2C8D14E15 20.3 6.06 -8.79 -1.19 0
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300444 121282147 1 NO4C15H25 AB4C15D25 -214.67 1.67 -9.67 0.65 0
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300445 121282172 1 SN2O3C14H24 AB2C3D14E24 -157.76 1.87 -9.0 0.01 0
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300446 121283285 1 OF3N4C27H35 AB3C4D27E35 -143.68 5.28 -8.43 -0.41 0
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300447 121283288 1 ON4F6C25H30 AB4C6D25E30 -319.65 5.07 -8.52 -1.01 0