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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39628 8141689 1 N2O4C17H20 A2B4C17D20 -150.82 3.51 -9.38 -0.11 0
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39629 8141691 1 N2O4H12C17 A2B4C12D17 -42.12 1.71 -8.78 -1.34 0
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39630 8141692 1 N3O3C23H33 A3B3C23D33 -150.03 6.5 -9.04 -0.14 0
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39631 8141693 1 ON3C22H25 AB3C22D25 24.8 4.4 -9.22 -0.92 0
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39632 8141705 1 SO3N5C15H21 AB3C5D15E21 -92.61 9.21 -9.38 -0.74 0
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39633 8141707 1 ON6H22C23 AB6C22D23 90.89 5.73 -8.82 -1.17 0
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39634 8141708 1 ClSO3N4C18H19 ABC3D4E18F19 -98.66 3.04 -9.23 -1.15 0
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39635 8141709 1 ClOSN4H11C17 ABCD4E11F17 80.24 4.28 -9.14 -1.28 0
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39636 8141715 1 FSO3N4H19C20 ABC3D4E19F20 -59.53 4.78 -9.41 -1.04 0
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39637 8141716 1 FSO3N4H19C20 ABC3D4E19F20 -61.46 6.99 -9.32 -1.04 0
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39638 8141722 1 O2N4C21H22 A2B4C21D22 1.47 5.62 -9.11 -1.16 0
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39639 8141730 1 N3O5C23H37 A3B5C23D37 -217.81 5.8 -8.67 -0.16 0
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39640 8141732 1 BrO2N3C17H24 AB2C3D17E24 -80.4 4.19 -9.15 -0.63 0
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39641 8141734 1 SN4O4C19H30 AB4C4D19E30 -159.52 8.23 -9.19 -0.93 1
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39642 8141737 1 ClN3O3C21H33 AB3C3D21E33 -131.6 3.21 0.0 0.0 0
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39643 8141738 1 ClN3O3C21H32 AB3C3D21E32 -153.7 3.07 -8.65 0.04 1
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39644 8141739 1 N3O4C21H32 A3B4C21D32 -127.31 7.04 0.0 0.0 0
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39645 8141740 1 N3O4C21H31 A3B4C21D31 -149.15 4.49 -8.48 -0.46 1
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39646 8141741 1 BrN3O3C18H27 AB3C3D18E27 -96.63 3.06 0.0 0.0 0
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39647 8141742 1 BrN3O3C18H26 AB3C3D18E26 -119.92 4.81 -9.2 -0.29 1
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39648 8141745 1 ClN3O3C20H31 AB3C3D20E31 -124.11 3.98 0.0 0.0 0
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39649 8141746 1 ClN3O3C20H30 AB3C3D20E30 -146.51 0.4 -9.08 -0.31 1
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39650 8141747 1 N4O4C20H27 A4B4C20D27 -128.34 7.1 0.0 0.0 0
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39651 8141748 2 N2O2C10H13 A2B2C10D13 -149.68 1.76 -9.02 -1.52 1
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39652 8141751 1 ClN4O4C17H24 AB4C4D17E24 -72.36 3.76 0.0 0.0 0