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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