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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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34399 7891115 1 O2S2N3C15H19 A2B2C3D15E19 -29.33 2.56 -8.44 -1.02 0
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34400 7891116 1 NO4H19C21 AB4C19D21 -124.61 4.0 -9.03 -1.21 0
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34401 7891125 1 ClOS2N3H18C19 ABC2D3E18F19 49.78 5.42 -8.51 -1.17 0
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34402 7891133 1 N3O7H15C17 A3B7C15D17 -159.22 6.0 -8.43 -1.51 0
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34403 7891159 1 N4O6H16C17 A4B6C16D17 -139.01 9.75 -9.22 -1.68 0
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34404 7891161 1 S2N3O3H17C18 A2B3C3D17E18 -20.83 2.41 -8.43 -1.08 0
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34405 7891163 1 NO4H21C22 AB4C21D22 -125.93 5.9 -8.81 -1.25 0
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34406 7891191 1 OS2N3C21H23 AB2C3D21E23 43.7 4.36 -8.42 -1.01 0
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34407 7891204 1 NO4H19C21 AB4C19D21 -118.9 3.65 -9.16 -1.21 0
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34408 7891223 1 FOS2N4C19H19 ABC2D4E19F19 -0.8 6.62 -8.71 -1.28 0
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34409 7891225 1 OS2N4C20H28 AB2C4D20E28 -0.25 4.21 -8.39 -0.96 0
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34410 7891233 2 N2O3C9H9 A2B3C9D9 -130.42 5.44 -9.12 -1.55 0
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34411 7891234 1 OS2N4C21H26 AB2C4D21E26 27.71 4.81 -8.12 -0.7 0
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34412 7964547 1 O2N3C20H31 A2B3C20D31 -95.53 4.52 -8.59 -0.27 0
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34413 7964548 1 N3O4H15C17 A3B4C15D17 -24.1 5.28 -9.49 -1.46 1
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34414 7964549 1 O2N3C22H28 A2B3C22D28 -20.22 1.55 0.0 0.0 0
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34415 7964550 1 O2N3C22H27 A2B3C22D27 -43.09 2.53 -8.76 -0.2 1
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34416 7964551 1 O2N3C22H28 A2B3C22D28 -18.71 1.66 0.0 0.0 0
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34417 7966560 1 Cl2O2N3H17C20 A2B2C3D17E20 -20.16 2.77 -9.42 -1.4 0
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34418 7968631 1 SN2O4C18H20 AB2C4D18E20 -123.92 3.53 -8.85 -0.22 0
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34419 7969855 1 S2O3N5C17H21 A2B3C5D17E21 7.99 6.14 -8.41 -0.75 0
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34420 7969961 1 N2F3O3H15C20 A2B3C3D15E20 -199.22 2.61 -9.61 -1.59 0
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34421 7970003 1 FSN2O2C17H23 ABC2D2E17F23 -119.8 4.27 -9.05 -0.82 0
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34422 7971514 1 N3O6C20H25 A3B6C20D25 -241.59 8.73 -10.2 -1.63 1
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34423 7971664 1 BrNOC11H17 ABCD11E17 -10.89 6.65 0.0 0.0 0