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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226671 87551007 1 ClN2O4C17H21 AB2C4D17E21 -163.45 3.35 -8.69 -0.36 0
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226672 87551010 1 NF2O3C10H11 AB2C3D10E11 -69.04 3.58 -9.51 -0.98 0
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226673 87551011 1 ClN2O5C13H19 AB2C5D13E19 -182.28 19.49 -7.95 -1.42 0
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226674 87551012 1 ClN2O5C13H17 AB2C5D13E17 -150.77 6.28 -9.44 -2.41 0
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226675 87551013 1 N2O5C13H16 A2B5C13D16 -170.98 4.65 -8.84 -0.23 0
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226676 87551014 1 S4O5N6C60H82 A4B5C6D60E82 -145.1 8.57 -8.14 -0.41 0
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226677 87556690 1 NOH23C24 ABC23D24 9.57 4.06 -8.82 -0.39 0
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226678 87556705 1 O2C11H22 A2B11C22 -121.06 2.24 -9.18 0.91 0
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226679 87556834 1 PO19C63H111 AB19C63D111 -817.85 3.06 -9.11 0.1 1
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226680 87556841 1 N2O4C9H15 A2B4C9D15 -126.26 8.42 0.0 0.0 0
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226681 87556842 1 N4H10C11 A4B10C11 92.13 6.37 -9.36 0.11 0
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226682 87556843 2 ClNOC4H7 ABCD4E7 -129.33 0.03 -9.97 -0.1 0
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226684 87556873 1 N2C25H26 A2B25C26 74.8 1.15 -8.62 -0.34 0
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226685 87556877 1 BrFNH5C8 ABCD5E8 42.45 2.8 -9.96 -0.62 0
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226686 87556882 1 O6C33H62 A6B33C62 -407.26 2.98 -10.74 0.68 0
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226687 87556884 1 OAl2C5H9 AB2C5D9 -35.88 0.98 0.0 0.0 1
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226688 87556885 1 SF3N3O7C24H37 AB3C3D7E24F37 -430.81 8.85 0.0 0.0 0
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226689 87556895 1 AlO2C38H63 AB2C38D63 -232.86 0.2 -8.18 0.69 0
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226690 87556906 1 N2S2C9H18 A2B2C9D18 4.9 5.93 -8.43 -0.42 0
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226691 87556911 1 NO2C21H45 AB2C21D45 -201.45 1.39 -9.48 2.15 0
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226692 87556912 1 SC7O7H10 AB7C7D10 -282.44 1.54 -10.08 -0.91 0
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226693 87556913 1 NO2C21H45 AB2C21D45 -199.21 1.24 -9.61 2.1 0
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226694 87556914 1 I2N2C21H28 A2B2C21D28 20.33 2.34 -8.25 -0.73 0
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226695 87556917 1 N5H7C10 A5B7C10 121.67 3.53 -11.11 -1.44 0
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226696 87556921 1 N2Si3C15H35 A2B3C15D35 -20.58 1.56 0.0 0.0 0