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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140638 52734715 1 O2N6C23H30 A2B6C23D30 29.23 4.32 -8.92 -0.64 1
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140639 52734716 1 O2N6C23H31 A2B6C23D31 29.92 7.15 0.0 0.0 0
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140640 52734717 1 O2N6C23H30 A2B6C23D30 29.65 6.37 -9.06 -0.66 1
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140641 52734718 1 O2N6C23H31 A2B6C23D31 48.14 13.15 0.0 0.0 1
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140642 52734725 1 OSN2C19H27 ABC2D19E27 -8.17 5.94 0.0 0.0 0
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140643 52734726 1 OSN2C19H26 ABC2D19E26 -12.92 3.4 -8.93 -0.47 1
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140644 52734727 1 OSN2C19H27 ABC2D19E27 -8.28 2.66 0.0 0.0 0
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140645 52734771 1 SN2O6C22H24 AB2C6D22E24 -169.79 7.14 -8.67 -0.84 0
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140646 52735117 2 N2O2C11H16 A2B2C11D16 -143.97 6.34 -9.1 -0.46 0
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140647 52735374 1 O2N3C23H41 A2B3C23D41 -149.85 4.34 -8.23 0.9 0
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140648 52735815 1 SN3O3C24H39 AB3C3D24E39 -152.59 4.43 -8.88 -0.37 0
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140649 52736183 1 F3O3N6H19C20 A3B3C6D19E20 -111.26 4.96 -9.54 -1.51 0
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140650 52736251 1 S3N5H15C18 A3B5C15D18 143.77 6.04 -8.9 -1.23 0
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140651 52736252 1 S3N6H20C21 A3B6C20D21 133.78 2.69 -8.57 -1.28 0
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140652 52737310 1 N2O4C27H30 A2B4C27D30 -144.47 6.82 -8.87 -0.25 0
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140653 52737578 1 O2N5C23H35 A2B5C23D35 -89.95 2.87 -8.45 -0.09 1
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140654 52737579 1 O2N5C23H36 A2B5C23D36 -88.03 1.45 0.0 0.0 0
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140655 52737620 1 ClO2N3C21H32 AB2C3D21E32 -112.6 2.01 -8.69 -0.68 0
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140656 52737931 1 ClN3O3C20H20 AB3C3D20E20 -44.4 4.51 -9.35 -0.71 0
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140657 52737978 1 ClN3O3C25H28 AB3C3D25E28 -85.22 4.04 -8.97 -0.65 0
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140658 52738506 2 ON2C10H18 AB2C10D18 -143.0 5.12 -9.16 1.23 1
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140659 52738507 1 F2O3N4C21H31 A2B3C4D21E31 -222.26 3.12 0.0 0.0 1
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140660 52738529 1 SO3N5C23H36 AB3C5D23E36 -107.02 2.22 0.0 0.0 0
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140661 52738530 1 SO3N5C23H35 AB3C5D23E35 -128.34 2.49 -9.23 -0.71 0
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140662 52738587 1 BrFN2O2C21H24 ABC2D2E21F24 -97.7 1.78 -9.78 -0.36 0