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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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224657 85345769 1 ClN2O3C16H19 AB2C3D16E19 -116.52 6.95 -9.69 -1.13 0
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224658 85345771 1 NO5C17H25 AB5C17D25 -221.62 3.74 -9.59 0.13 0
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224659 85345772 1 NO3C20H21 AB3C20D21 -80.63 3.79 -8.97 0.09 0
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224660 85345783 1 N4O5C14H20 A4B5C14D20 -168.24 4.69 -9.26 -0.76 0
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224661 85345786 2 ON2C9H9 AB2C9D9 35.27 13.16 -9.12 -2.61 0
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224662 85345787 1 O5C18H28 A5B18C28 -261.69 5.68 -9.85 0.51 0
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224663 85345788 1 O5C18H28 A5B18C28 -231.89 1.55 -9.81 -0.13 0
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224664 85345799 1 NO3C20H23 AB3C20D23 -75.05 5.53 -9.47 -0.66 0
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224665 85345800 1 NO3C20H23 AB3C20D23 -103.8 4.74 -9.56 0.14 0
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224666 85345804 1 NOC22H31 ABC22D31 -21.5 4.47 -8.78 0.15 0
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224667 85345806 1 O7C16H22 A7B16C22 -295.82 2.35 -9.65 0.04 0
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224668 85345807 1 O5H18C19 A5B18C19 -144.94 3.93 -9.39 -0.28 0
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224669 85345818 1 BrOSC15H19 ABCD15E19 -12.38 6.52 -8.27 0.11 0
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224670 85345819 1 NO8C14H17 AB8C14D17 -263.62 4.48 -10.43 -1.71 0
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224671 85345839 1 ClSN4H13C16 ABC4D13E16 113.64 6.18 -8.49 -1.23 1
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224672 85345845 1 N3O4C17H20 A3B4C17D20 -96.17 4.6 0.0 0.0 0
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224673 85345855 1 O5C19H22 A5B19C22 -193.02 3.69 -9.75 -0.38 0
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224674 85345856 2 O2C10H13 A2B10C13 -91.33 4.47 -8.1 -0.09 0
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224675 85345857 3 OC7H10 AB7C10 -155.49 4.09 -9.49 0.26 0
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224676 85345868 1 N4O5C15H16 A4B5C15D16 -154.5 3.2 -9.69 -1.15 0
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224677 85345869 1 O5C19H24 A5B19C24 -216.71 7.37 -9.29 -0.83 0
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224678 85345870 1 O5C19H24 A5B19C24 -203.64 5.59 -9.24 -0.42 0
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224679 85345872 1 N2O2H20C21 A2B2C20D21 50.17 9.11 -8.84 -0.81 0
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224680 85345876 2 H10C13 A10B13 115.81 0.13 -8.4 -0.87 0
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224681 85345891 1 ClF2O4C15H17 AB2C4D15E17 -252.38 4.82 -9.96 -0.79 0
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224682 85345984 1 SO4N5C13H19 AB4C5D13E19 -102.51 7.23 -9.06 -1.33 0
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224683 85346387 2 NO2C11H12 AB2C11D12 -119.37 2.99 -8.42 -0.04 0
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224684 85346388 1 S2O3C20H28 A2B3C20D28 -125.76 2.66 -8.65 -0.43 0
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224685 85346455 1 SiO3C23H34 AB3C23D34 -173.09 2.53 -9.04 0.06 0
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224686 85346644 1 TeO2H18C19 AB2C18D19 -13.41 1.24 -8.19 -0.48 0
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224687 85346756 1 SiO2C26H46 AB2C26D46 -145.79 2.94 -8.83 1.6 0
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224688 85346879 1 SiO8C20H36 AB8C20D36 -386.63 3.18 -8.85 0.23 0
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224689 85346892 1 O6C25H38 A6B25C38 -239.9 3.29 -9.45 0.09 0
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224690 85346895 1 SiN2O3C24H42 AB2C3D24E42 -176.05 3.26 -8.57 0.39 0
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224691 85346901 1 SN3O4H21C23 AB3C4D21E23 -35.51 9.34 -10.05 -0.98 0
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224692 85346924 1 NSiO5C23H39 ABC5D23E39 -294.81 2.79 -8.61 0.26 0
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224693 85346925 1 CuO2N4C22H24 AB2C4D22E24 77.92 5.23 0.0 0.0 2
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224694 85346926 1 FeSiC27H30 ABC27D30 147.87 5.06 -7.68 -0.22 0
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224695 85346940 1 O4N5C23H35 A4B5C23D35 -189.79 3.76 -9.73 -0.12 0
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224697 85346949 1 NO4H27C28 AB4C27D28 -53.15 2.1 -9.29 -0.41 0
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224698 85346951 1 ION2C20H31 ABC2D20E31 -12.73 13.86 -7.51 -0.43 0
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224699 85346955 1 CrON2C18H18 ABC2D18E18 159.48 6.47 -7.19 -0.28 0
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224700 85346957 1 O3N6C23H34 A3B6C23D34 -87.47 3.53 -8.68 -0.43 0
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224701 85346968 1 SN3O3H21C25 AB3C3D21E25 -11.65 8.71 -8.45 -1.37 0
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224702 85346987 1 NSi2O5C21H43 AB2C5D21E43 -316.67 3.78 -8.74 0.22 0
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224703 85346988 1 ClO4N5C21H24 AB4C5D21E24 -92.86 3.53 -9.7 -0.56 2
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224704 85346989 1 FePH23C28 ABC23D28 291.17 4.93 -7.16 -1.63 0
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224705 85346990 1 O9C23H26 A9B23C26 -338.99 3.96 -8.62 -0.29 0
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224706 85346992 1 N2F3O5C21H29 A2B3C5D21E29 -387.9 6.05 -9.54 -0.03 0
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224707 85346994 1 SO3C28H30 AB3C28D30 -74.94 4.64 -8.88 -0.06 0