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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216773 85086752 1 O3C19H24 A3B19C24 -52.05 3.51 -9.04 -0.37 0
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216774 85086753 1 N2H20C21 A2B20C21 121.72 2.03 -9.18 -0.64 0
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216775 85086754 2 OC10H14 AB10C14 -73.63 4.57 -8.19 -0.66 0
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216776 85086755 1 SiO4C15H28 AB4C15D28 -249.95 1.84 -8.96 0.3 0
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216777 85086758 1 BrClNO2H7C11 ABCD2E7F11 5.39 1.9 -9.83 -1.18 0
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216778 85086759 1 INO3C8H16 ABC3D8E16 -139.38 2.45 -9.82 -0.94 0
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216779 85086760 1 N3O4C15H17 A3B4C15D17 -58.87 3.76 -9.68 -0.96 0
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216780 85086761 1 FN2H13C20 AB2C13D20 61.79 2.93 -8.88 -1.04 0
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216781 85086762 1 NO2C20H23 AB2C20D23 -60.97 3.13 -8.73 -0.35 0
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216782 85086765 1 NSO3H15C16 ABC3D15E16 -21.83 7.34 -9.21 -0.68 0
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216783 85086766 1 NO5C15H27 AB5C15D27 -262.37 3.0 -9.78 0.48 0
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216784 85086767 1 SN5C15H19 AB5C15D19 76.63 4.56 -8.49 -0.23 0
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216785 85086769 1 NSiO2C17H23 ABC2D17E23 -85.49 8.36 -9.49 -0.45 0
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216786 85086770 1 ZnN2O4C11H12 AB2C4D11E12 -146.73 14.81 -9.87 -1.7 0
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216787 85086771 1 N2O4C11H14 A2B4C11D14 -154.74 3.73 -9.68 -0.23 0
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216788 85086772 1 ClNO4H14C15 ABC4D14E15 -73.66 7.88 -9.69 -1.24 0
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216789 85086773 1 ClPN3C14H25 ABC3D14E25 -15.86 4.94 -8.6 -0.26 0
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216790 85086774 1 ClNSH16C17 ABCD16E17 67.52 3.96 -8.67 -0.51 0
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216791 85086777 2 OSN2C6H6 ABC2D6E6 -21.96 4.96 -8.92 -0.82 0
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216792 85086782 1 OC22H22 AB22C22 161.64 2.13 -9.44 -0.12 0
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216793 85086783 2 NOC9H13 ABC9D13 -96.78 3.43 -8.48 -0.06 0
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216794 85086784 1 N2C21H22 A2B21C22 136.93 3.48 -7.76 0.17 0
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216795 85086785 2 N2C9H15 A2B9C15 42.98 3.16 -9.76 -0.08 0
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216796 85086786 1 ClO4N6C9H11 AB4C6D9E11 -57.06 2.68 -9.95 -1.0 0
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216797 85086787 1 Cl2N2O3C12H12 A2B2C3D12E12 -87.11 8.57 -9.37 -2.61 1
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216798 85086788 1 ClN2O3C12H12 AB2C3D12E12 -65.6 5.88 0.0 0.0 0
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216799 85086789 1 NO8C12H17 AB8C12D17 -322.83 2.27 -10.1 -1.02 0
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216800 85086794 1 NSO3C16H17 ABC3D16E17 -58.23 2.89 -8.64 -0.4 0
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216801 85086797 1 SO2N3C15H17 AB2C3D15E17 -23.9 2.72 -9.02 -0.58 0
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216802 85086798 1 NO5C15H29 AB5C15D29 -287.47 1.77 -9.59 0.61 0
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216803 85086799 1 NOC21H21 ABC21D21 25.63 2.95 -9.02 0.02 0
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216804 85086800 1 NO2S2H13C15 AB2C2D13E15 -22.31 2.51 -8.37 -0.59 0
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216805 85086802 1 ClNF3O4C10H13 ABC3D4E10F13 -349.79 1.53 -10.98 -0.67 0
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216806 85086803 1 OTeC12H16 ABC12D16 -17.4 1.93 -8.37 -0.02 0
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216807 85086806 1 F3O3C15H19 A3B3C15D19 -274.67 4.07 -10.1 -0.44 0
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216808 85086807 1 O5C17H20 A5B17C20 -137.75 5.9 -9.38 -0.82 0
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216809 85086809 1 PS2O3C12H17 AB2C3D12E17 -193.25 3.5 -9.12 -0.26 0
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216810 85086811 2 O2C9H12 A2B9C12 -166.1 1.41 -9.65 -0.02 0
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216811 85086812 2 O2C9H12 A2B9C12 -164.74 1.88 -8.66 -0.06 0
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216812 85086813 1 N2O3C17H24 A2B3C17D24 -109.4 5.08 -8.44 0.02 0
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216813 85086815 1 O3C19H28 A3B19C28 -106.67 4.99 -8.62 0.34 0
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216814 85086819 1 SiO2C18H28 AB2C18D28 -126.32 1.69 -8.55 -0.09 0
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216815 85086820 1 ClOSN4H9C13 ABCD4E9F13 68.94 6.6 -9.02 -2.3 0
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216816 85086821 1 ClON4C15H17 ABC4D15E17 6.25 7.59 -9.09 -0.57 0
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216817 85086823 1 ClON2C17H21 ABC2D17E21 -35.28 5.23 -8.91 -0.3 0
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216818 85086825 1 NO8C12H19 AB8C12D19 -346.51 3.43 -10.01 -0.55 1
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216819 85086827 1 SN3O4C13H14 AB3C4D13E14 -92.92 5.14 0.0 0.0 0
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216820 85086828 1 SN3O4C13H13 AB3C4D13E13 -98.58 2.18 -9.14 -0.9 0
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216821 85086829 1 NO5C16H19 AB5C16D19 -150.23 6.15 -9.52 -0.12 0
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216822 85086830 1 N3O6C12H23 A3B6C12D23 -271.87 3.37 -9.51 -0.23 0