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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1613 4772 1 ON3C17H22 AB3C17D22 10.35 4.29 0.0 0.0 1
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1614 4773 1 ON3C17H21 AB3C17D21 15.01 4.81 -8.19 0.08 0
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1615 4774 1 ON3C17H17 AB3C17D17 34.29 4.94 -8.26 -0.15 0
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1616 4775 2 OC5H6 AB5C6 -77.81 4.4 -9.56 0.18 0
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1617 4777 1 PN6O7C19H25 AB6C7D19E25 -282.53 3.79 -9.01 -0.48 0
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1618 4778 1 AsOH5C6 ABC5D6 99.24 2.16 -8.65 -1.14 0
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1619 4780 1 N5C8H11 A5B8C11 53.57 2.7 -8.48 -0.05 0
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1620 4782 1 NO2C9H13 AB2C9D13 -69.77 3.66 -9.05 0.15 0
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1621 4783 1 IO2C17H21 AB2C17D21 -23.83 1.31 -9.38 -0.66 0
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1622 4784 1 FSO2C7H7 ABC2D7E7 -110.36 4.89 -9.92 -0.32 0
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1624 4786 1 NOC9H13 ABC9D13 -30.81 2.83 -9.26 0.02 0
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1625 4787 1 N2O2H11C15 A2B2C11D15 24.06 2.39 0.0 0.0 -1
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1626 4788 1 O5H14C15 A5B14C15 -189.45 4.02 -8.91 -0.66 0
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1627 4789 1 O10C21H24 A10B21C24 -401.8 6.67 -8.96 -0.84 0
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1628 4790 1 PO2S3C7H17 AB2C3D7E17 -177.87 5.98 -8.88 -0.6 0
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1629 4791 1 O9C35H52 A9B35C52 -390.36 7.92 -9.8 -0.84 0
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1630 4792 4 O2C9H14 A2B9C14 -389.99 9.82 -9.36 -0.04 0
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1631 4793 1 ClNPS2O4C12H15 ABCD2E4F12G15 -229.63 4.23 -9.35 -1.01 0
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1632 4794 1 NPO4C5H12 ABC4D5E12 -238.37 5.48 -9.7 0.78 0
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1633 4795 1 P3N6C10O12H17 A3B6C10D12E17 -640.09 3.11 -9.17 -0.66 0
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1634 4796 1 F2P3N5C11O12H16 A2B3C5D11E12F16 -726.63 5.97 -9.12 -0.55 0
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1635 4797 1 NPC2H6O6 ABC2D6E6 -288.44 3.0 -9.94 -0.25 0
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1636 4798 1 P2N5O9C11H17 A2B5C9D11E17 -440.93 3.62 -9.25 -0.71 0
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1637 4799 1 P3N5C11O12H18 A3B5C11D12E18 -630.28 3.46 -9.2 -0.63 0
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1638 4800 1 P3N5C11O13H18 A3B5C11D13E18 -665.36 12.44 -9.32 -0.67 0
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1639 4801 1 PNa2C3O4H5 AB2C3D4E5 -266.95 6.81 -8.22 0.82 0
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1640 4802 1 PN3O10C23H34 AB3C10D23E34 -505.36 3.5 -8.65 -0.15 0
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1641 4806 1 S2N3O5H13C17 A2B3C5D13E17 -116.11 11.26 -8.59 -1.56 0
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1642 4808 1 SO8C36H58 AB8C36D58 -409.34 3.56 -8.95 -1.2 0
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1643 4809 1 N4O6C33H40 A4B6C33D40 -203.82 7.11 -8.63 -1.91 0
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1644 4814 1 O3N4H20C21 A3B4C20D21 -33.24 7.22 -9.71 -0.78 0
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1645 4816 1 O6C15H16 A6B15C16 -195.92 7.41 -10.41 -0.03 0
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1646 4817 1 OSN2C16H18 ABC2D16E18 0.6 1.11 -8.17 -0.61 0
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1647 4818 1 O3N4C14H14 A3B4C14D14 -32.4 2.63 -9.06 -1.07 0
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1648 4819 1 N2O2C11H16 A2B2C11D16 -70.16 1.96 -9.36 0.51 0
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1649 4820 1 ON2C17H24 AB2C17D24 -51.78 2.38 -8.87 0.32 0
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1650 4821 1 NO13C34H49 AB13C34D49 -534.73 4.06 -8.94 -0.85 0
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1651 4824 1 ClOF2N3C28H28 ABC2D3E28F28 -80.31 5.18 -8.72 -0.43 0
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1652 4828 2 NOC7H10 ABC7D10 -60.17 3.64 -8.32 0.03 0
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1653 4829 1 SN2O3C19H20 AB2C3D19E20 -89.2 3.87 -8.8 -0.78 0
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1654 4831 1 O3N5C14H17 A3B5C14D17 -77.18 10.64 -9.54 -1.22 0
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1655 4832 1 NO3C22H28 AB3C22D28 -64.91 3.31 0.0 0.0 1
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1656 4833 2 N2O2C19H19 A2B2C19D19 -91.22 4.17 -8.56 -2.06 0
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1657 4835 1 SN5O7C23H27 AB5C7D23E27 -249.44 5.7 -9.77 -0.82 0
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1658 4836 1 SN4O5C10H12 AB4C5D10E12 -113.7 5.08 -10.38 -0.88 0
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1659 4837 2 NC2H5 AB2C5 1.37 2.63 -8.92 2.84 0
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1660 4838 1 NSO3C5H11 ABC3D5E11 -137.75 4.33 -9.35 -0.02 0
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1661 4839 1 NO2C21H25 AB2C21D25 -55.43 0.59 -8.77 0.03 0
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1662 4840 1 NO3C17H19 AB3C17D19 -67.39 4.02 -8.85 -0.42 0
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1663 4841 1 NO3C23H30 AB3C23D30 -64.05 3.62 0.0 0.0 1