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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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384746 134977605 1 O2C17H18 A2B17C18 -48.18 4.87 -9.9 -0.72 0
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384747 134977606 1 O3C15H16 A3B15C16 -79.49 3.82 -9.98 -0.76 0
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384748 134977607 1 NSO4H27C30 ABC4D27E30 -65.48 5.42 -8.81 -0.5 0
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384749 134977608 1 SN2O6H22C24 AB2C6D22E24 -89.99 2.46 -9.06 -1.94 0
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384750 134977609 1 ClNSO4H26C27 ABCD4E26F27 -94.61 7.82 -9.25 -0.59 0
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384751 134977610 1 BrPC22H32 ABC22D32 -17.22 5.54 -8.59 -0.07 0
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384752 134977611 1 NC18H19 AB18C19 68.57 2.5 -8.0 -0.04 0
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384753 134977613 1 Si3O4C39H70 A3B4C39D70 -285.16 1.43 -8.83 -0.86 0
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384754 134977616 1 NOC25H35 ABC25D35 -17.34 2.19 -8.19 0.13 0
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384755 134977617 1 NOC25H35 ABC25D35 -17.72 1.86 -8.07 0.13 0
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384757 134977619 1 ClNH7C11 ABC7D11 150.49 2.88 0.0 0.0 0
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384758 134977620 1 LiPC6O12 ABC6D12 -568.79 7.3 -11.49 -1.75 0
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384760 134977622 1 PCl3H18C20 AB3C18D20 30.37 4.72 -9.41 -1.01 0
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384761 134977623 1 PCl4H13C16 AB4C13D16 11.34 6.67 -9.59 -1.01 0
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384762 134977624 1 PO2H19C20 AB2C19D20 -38.65 1.4 -8.88 0.1 0
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384763 134977625 1 Si2O4C33H60 A2B4C33D60 -269.69 3.01 -8.74 0.14 0
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384764 134977627 1 O2Si2C57H71 A2B2C57D71 126.37 1.42 0.0 0.0 0
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384766 134977630 1 PN2O14C15H23 AB2C14D15E23 -667.24 2.89 -10.3 -0.88 -2
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384767 134977631 1 P2N3O17C18H27 A2B3C17D18E27 -729.7 6.63 -10.25 -2.89 0
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384768 134977635 1 NP2O4C8H19 AB2C4D8E19 -296.32 1.89 -9.79 0.71 0
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384769 134977636 1 NO3C19H27 AB3C19D27 -110.98 2.08 -9.1 -0.05 0
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384770 134977637 2 OH7C9 AB7C9 9.32 4.66 -9.59 -0.25 0
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384771 134977638 1 NSO3C18H27 ABC3D18E27 -107.33 5.91 -9.18 -0.13 0
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384772 134977639 1 NSO3C20H31 ABC3D20E31 -113.13 6.6 -9.19 -0.06 0
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384773 134977640 1 C15H16 A15B16 75.46 0.84 -8.8 -0.17 0
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384774 134977641 1 O3C23H36 A3B23C36 -135.52 1.87 -9.12 0.49 0
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384777 134977647 1 H18C29 A18B29 331.54 0.83 -7.63 -2.4 0
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384778 134977651 1 N2O6C29H42 A2B6C29D42 -122.65 4.81 -8.34 -2.31 0
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384779 134977652 2 OSiC14H28 ABC14D28 -192.61 3.05 -8.51 -0.34 0
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384780 134977653 2 OSiC18H36 ABC18D36 -232.94 2.3 -8.52 -0.36 0
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384781 134977654 1 O2C15H18 A2B15C18 -58.27 2.11 -8.92 0.32 0
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384782 134977660 1 O2C11H18 A2B11C18 -77.9 1.82 -9.93 1.52 0
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384783 134977662 1 SiCo2O9C25H26 AB2C9D25E26 -313.57 31.79 -9.06 -6.27 0
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384784 134977663 1 SiO3C19H26 AB3C19D26 -63.04 4.09 -8.81 -0.81 0
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384785 134977667 1 O6C23H30 A6B23C30 -232.3 4.07 -10.03 -0.55 0
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384786 134977668 1 FeO3C13H14 AB3C13D14 14.45 3.11 -8.19 0.95 0
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384787 134977669 2 C7H12 A7B12 -6.32 0.19 -8.91 0.77 0
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384788 134977671 1 O3C20H26 A3B20C26 25.14 5.26 -9.26 -1.03 0
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384790 134977674 1 SN2C18H18 AB2C18D18 92.94 2.79 -9.08 -0.97 0
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384791 134977676 2 OSSiC5H9 ABCD5E9 -90.69 4.54 -8.51 -1.51 0
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384792 134977677 1 NaH6F15C23 AB6C15D23 -623.55 3.58 -6.59 -1.5 0
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384793 134977678 1 H7F15C23 A7B15C23 -592.9 1.59 -10.62 -1.4 0
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384795 134977680 2 C9H10 A9B10 59.08 0.1 -8.27 0.35 1
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384796 134977683 21 CH AB 108.31 0.7 0.0 0.0 1
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384797 134977685 1 H23C34 A23B34 302.14 1.35 0.0 0.0 0
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384799 134977691 1 ClO2C59H60 AB2C59D60 33.0 0.69 0.0 0.0 0
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384800 134977692 1 AlO3S3Cl4C57H71 AB3C3D4E57F71 -267.88 13.36 -8.27 -2.59 0
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384801 134977693 1 O3S3C57H70 A3B3C57D70 -64.76 4.72 -8.27 -1.45 0
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384802 134977694 1 PC32H39 AB32C39 65.09 2.23 -8.22 0.22 0
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384803 134977695 1 BrO3H13C18 AB3C13D18 -9.85 5.03 -9.66 -1.12 1
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384804 134977704 1 PC23H24 AB23C24 61.18 7.98 0.0 0.0 0
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384805 134977705 1 P2F6C25H28 A2B6C25D28 -442.04 18.92 -9.36 -1.15 1
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384806 134977706 1 PC25H28 AB25C28 43.14 8.34 0.0 0.0 1
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384807 134977708 1 PC25H28 AB25C28 39.28 8.29 0.0 0.0 0
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384808 134977710 1 BrPN2C19H26 ABC2D19E26 -2.56 6.04 -7.83 0.03 0
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384809 134977711 1 ClNPC13H21 ABCD13E21 -37.51 5.78 -8.66 0.08 0
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384810 134977714 1 OSC11H16 ABC11D16 -31.98 2.35 -9.19 -0.27 0
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384811 134977716 1 NSO3C18H21 ABC3D18E21 -77.14 6.88 -8.91 -0.49 0
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384812 134977721 1 INPO4C24H29 ABCD4E24F29 -184.71 8.04 -7.33 -0.94 0
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384813 134977723 2 P2C7H17 A2B7C17 -104.77 1.27 -8.5 3.04 0
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384814 134977725 1 FeP2C20H28 AB2C20D28 19.36 0.9 -7.5 0.33 0
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384815 134977726 1 NPSC3H8 ABCD3E8 -38.82 2.77 -8.62 0.15 0
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384817 134977731 2 H4C11 A4B11 449.56 6.18 -8.27 -2.64 0
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384818 134977732 2 ClPtP2H42C46 ABC2D42E46 673.24 3.54 -6.97 -1.64 0
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384819 134977733 1 OC12H12 AB12C12 13.66 2.62 -9.1 0.22 0
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384820 134977735 1 IMgSCl2O4H11C19 ABCD2E4F11G19 -37.18 16.05 -8.62 -1.83 -1
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384821 134977742 1 PSeO7N10C20H24 ABC7D10E20F24 -146.07 5.59 0.0 0.0 0
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384822 134977743 1 PSeO7N10C20H25 ABC7D10E20F25 -182.37 4.71 -9.11 -0.8 -1
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384823 134977744 1 PSeO9N10C20H24 ABC9D10E20F24 -237.7 19.37 0.0 0.0 0
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384824 134977745 1 KPO3F15H15C27 ABC3D15E15F27 -955.5 4.6 -8.2 -0.47 -1
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384825 134977746 1 PO3F15H15C27 AB3C15D15E27 -851.81 4.02 0.0 0.0 0
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384826 134977752 1 P2S2O3C6H16 A2B2C3D6E16 -272.74 3.53 -9.11 0.0 -2
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384828 134977756 1 O2P3S4C12H27 A2B3C4D12E27 -329.7 3.79 -9.45 -1.31 0
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384829 134977757 1 O2P3S4C24H45 A2B3C4D24E45 -344.27 4.34 -9.27 -1.39 -1
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384830 134977758 1 PN2F3O10C12H13 AB2C3D10E12F13 -584.48 9.68 0.0 0.0 -4
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384831 134977765 1 N3P3C11H14O14 A3B3C11D14E14 -628.44 2.59 -9.64 -1.93 0
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384832 134977770 1 NO2H13C22 AB2C13D22 148.03 7.13 -8.93 -1.92 0
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384833 134977772 2 ClH9C15 AB9C15 212.73 3.28 -8.34 -1.73 0
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384834 134977774 2 C9H13 A9B13 11.8 1.06 -9.18 0.45 0
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384835 134977775 2 C21H22 A21B22 105.1 0.15 -7.73 -1.3 0
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384836 134977777 1 NO2C13H19 AB2C13D19 -47.66 5.93 -9.8 1.31 0
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384837 134977778 1 OSiC19H32 ABC19D32 -76.54 2.13 -8.67 1.01 0
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384838 134977779 1 NC16H21 AB16C21 47.37 1.71 -7.99 0.08 0
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384839 134977780 1 SiC15H28 AB15C28 -43.76 0.76 -8.66 0.58 0
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384840 134977781 1 NSO4C28H37 ABC4D28E37 -84.38 5.12 -8.04 -0.54 0
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384841 134977782 2 O2C13H18 A2B13C18 -134.25 2.43 -10.24 -1.18 0
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384844 134977790 2 OC10H10 AB10C10 -2.28 3.43 -9.36 0.05 0
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384845 134977791 1 OC18H24 AB18C24 -37.38 2.05 -8.28 0.29 0
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384846 134977795 1 NNaC10H20 ABC10D20 17.92 7.33 -5.35 0.83 0
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384847 134977796 1 LiOC17H25 ABC17D25 22.67 7.36 -5.6 1.02 0
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384848 134977797 1 OC17H26 AB17C26 -57.54 1.38 -8.6 0.42 0
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384849 134977798 1 O3C13H18 A3B13C18 -81.23 4.74 -8.92 -0.95 0
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384850 134977799 1 LiH37C39 AB37C39 88.21 7.04 -6.95 -0.17 0
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384851 134977800 1 FSiO3C15H25 ABC3D15E25 -177.5 2.61 -9.27 -0.97 0
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384852 134977801 1 NOC12H21 ABC12D21 -53.34 3.25 -9.55 0.22 0
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384854 134977804 1 NSF3O4C19H20 ABC3D4E19F20 -298.28 7.14 -8.89 -0.94 0
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384855 134977805 10 H2C3 A2B3 283.03 0.19 -8.26 -0.86 1
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384856 134977808 8 CH AB 75.17 1.06 -9.23 -0.44 -1
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384858 134977812 17 CH AB 90.26 0.57 0.0 0.0 0
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384859 134977813 1 SbN2C7Cl7H14 AB2C7D7E14 -118.87 21.74 -9.76 -2.1 1