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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
58731 |
24714787 |
1 |
SN3O3C13H17 |
AB3C3D13E17 |
-113.6 |
6.49 |
-8.99 |
-1.26 |
0 |
|
|
58732 |
24714788 |
1 |
SN3O4C15H21 |
AB3C4D15E21 |
-151.76 |
6.17 |
-9.11 |
-1.39 |
0 |
|
|
58733 |
24714790 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-81.76 |
3.85 |
-8.91 |
-0.72 |
0 |
|
|
58734 |
24714791 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-53.78 |
1.4 |
-8.91 |
-0.43 |
0 |
|
|
58735 |
24714792 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-72.49 |
2.78 |
-8.77 |
-0.52 |
0 |
|
|
58736 |
24714794 |
1 |
SN3O3C17H21 |
AB3C3D17E21 |
-40.64 |
4.56 |
-8.33 |
-0.63 |
0 |
|
|
58737 |
24714795 |
1 |
N4O4C17H24 |
A4B4C17D24 |
-32.21 |
5.08 |
-9.94 |
-1.64 |
0 |
|
|
58738 |
24714797 |
2 |
N2O2C7H9 |
A2B2C7D9 |
-16.81 |
7.04 |
-10.06 |
-1.85 |
0 |
|
|
58739 |
24714798 |
1 |
N4O4C15H18 |
A4B4C15D18 |
9.11 |
6.32 |
-10.12 |
-1.88 |
0 |
|
|
58740 |
24714799 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-88.92 |
3.21 |
-8.49 |
-0.72 |
0 |
|
|
58741 |
24714802 |
1 |
SO2N3C12H17 |
AB2C3D12E17 |
-62.38 |
2.5 |
-8.62 |
-0.8 |
0 |
|
|
58742 |
24714803 |
1 |
SO2N3C13H19 |
AB2C3D13E19 |
-66.17 |
4.26 |
-8.63 |
-0.82 |
0 |
|
|
58743 |
24714804 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-96.17 |
3.57 |
-8.56 |
-0.81 |
0 |
|
|
58744 |
24714807 |
1 |
ClSN2O2C15H17 |
ABC2D2E15F17 |
-74.62 |
3.1 |
-8.69 |
-0.63 |
0 |
|
|
58745 |
24714808 |
1 |
SN2O2C15H18 |
AB2C2D15E18 |
-69.51 |
2.72 |
-8.61 |
-0.38 |
0 |
|
|
58746 |
24714809 |
1 |
SN2O2C18H22 |
AB2C2D18E22 |
-61.31 |
2.53 |
-8.59 |
-0.36 |
0 |
|
|
58747 |
24714810 |
1 |
SN2O2C17H20 |
AB2C2D17E20 |
-46.09 |
2.34 |
-8.62 |
-0.37 |
0 |
|
|
58748 |
24714811 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-112.5 |
2.8 |
-8.57 |
-0.39 |
0 |
|
|
58749 |
24714812 |
1 |
SN2O4C16H20 |
AB2C4D16E20 |
-131.2 |
2.91 |
-8.64 |
-0.46 |
0 |
|
|
58750 |
24714813 |
1 |
NO3C17H25 |
AB3C17D25 |
-100.71 |
2.22 |
-8.74 |
0.42 |
0 |
|
|
58751 |
24714814 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-117.22 |
6.52 |
-9.0 |
-1.26 |
0 |
|
|
58752 |
24714815 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-121.19 |
4.72 |
-8.96 |
-1.23 |
0 |
|
|
58753 |
24714818 |
1 |
SO2N3C16H21 |
AB2C3D16E21 |
-76.06 |
7.77 |
-8.99 |
-1.26 |
0 |
|
|
58754 |
24714820 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-79.82 |
3.75 |
-8.72 |
-0.92 |
0 |
|
|
58755 |
24714823 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-69.09 |
5.18 |
-8.45 |
-0.61 |
0 |
|
|
58756 |
24714824 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-93.89 |
5.34 |
-8.42 |
-0.57 |
0 |
|
|
58757 |
24714826 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-66.44 |
2.12 |
-8.8 |
-0.06 |
0 |
|
|
58758 |
24714828 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-60.03 |
6.46 |
-9.09 |
-0.2 |
0 |
|
|
58759 |
24714829 |
1 |
ON3C20H33 |
AB3C20D33 |
-13.99 |
4.96 |
-8.48 |
0.7 |
0 |
|
|
58760 |
24714830 |
1 |
FNO3C20H24 |
ABC3D20E24 |
-105.94 |
1.53 |
-8.46 |
-0.1 |
0 |
|
|
58761 |
24714831 |
1 |
N2O3C20H32 |
A2B3C20D32 |
-97.41 |
1.53 |
-8.89 |
0.31 |
0 |
|
|
58762 |
24714832 |
1 |
ClSN2O2C16H17 |
ABC2D2E16F17 |
-25.3 |
4.76 |
-9.06 |
-0.72 |
0 |
|
|
58763 |
24714833 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-85.84 |
4.92 |
-9.14 |
-0.73 |
0 |
|
|
58764 |
24714834 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-89.09 |
1.73 |
-8.98 |
-0.49 |
0 |
|
|
58765 |
24714835 |
1 |
SN2O2C18H22 |
AB2C2D18E22 |
-26.68 |
3.03 |
-8.93 |
-0.52 |
0 |
|
|
58766 |
24714836 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-55.68 |
4.11 |
-9.13 |
-0.64 |
0 |
|
|
58767 |
24714837 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-45.5 |
4.48 |
-9.0 |
-0.46 |
0 |
|
|
58768 |
24714838 |
1 |
NO3C19H25 |
AB3C19D25 |
-59.55 |
1.75 |
-9.07 |
0.33 |
0 |
|
|
58769 |
24714840 |
1 |
SN2O2C18H26 |
AB2C2D18E26 |
-44.27 |
2.18 |
-8.77 |
-0.45 |
0 |
|
|
58770 |
24714841 |
1 |
SN2O2C17H24 |
AB2C2D17E24 |
-46.42 |
3.49 |
-8.94 |
-0.3 |
0 |
|
|
58771 |
24714842 |
1 |
SN2O2C16H22 |
AB2C2D16E22 |
-32.87 |
3.12 |
-8.53 |
-0.46 |
0 |
|
|
58772 |
24714843 |
1 |
SN2O3C15H20 |
AB2C3D15E20 |
-58.41 |
2.16 |
-8.49 |
-0.4 |
0 |
|
|
58773 |
24714844 |
1 |
OSN2C15H20 |
ABC2D15E20 |
-1.62 |
1.21 |
-8.99 |
-0.45 |
0 |
|
|
58774 |
24714845 |
1 |
OSN2C15H18 |
ABC2D15E18 |
28.53 |
2.44 |
-9.02 |
-0.54 |
0 |
|
|
58775 |
24714847 |
1 |
OSN2C16H20 |
ABC2D16E20 |
22.53 |
1.33 |
-8.89 |
-0.56 |
0 |
|
|
58776 |
24714848 |
1 |
OSN2C14H18 |
ABC2D14E18 |
5.01 |
1.12 |
-8.86 |
-0.5 |
0 |
|
|
58777 |
24714849 |
1 |
SO2N3C18H23 |
AB2C3D18E23 |
-26.04 |
4.28 |
-8.99 |
-0.46 |
0 |
|
|
58778 |
24714850 |
1 |
SN2O3C17H22 |
AB2C3D17E22 |
-85.18 |
4.02 |
-8.76 |
-0.54 |
0 |
|
|
58779 |
24714851 |
1 |
SN2O2C19H24 |
AB2C2D19E24 |
-29.9 |
4.22 |
-8.88 |
-0.67 |
0 |
|
|
58780 |
24714852 |
1 |
SN2O2C18H24 |
AB2C2D18E24 |
-57.88 |
3.22 |
-8.7 |
-0.61 |
0 |
|
|
58781 |
24714853 |
1 |
SN2O2C17H20 |
AB2C2D17E20 |
-17.71 |
5.2 |
-8.92 |
-0.76 |
0 |
|
|
58782 |
24714854 |
1 |
SN2O2C19H24 |
AB2C2D19E24 |
-28.89 |
2.15 |
-8.73 |
-0.45 |
0 |
|
|
58783 |
24714855 |
1 |
SN2O2C17H22 |
AB2C2D17E22 |
-49.29 |
5.12 |
-8.84 |
-0.56 |
0 |
|
|
58784 |
24714856 |
1 |
SN2O2C19H26 |
AB2C2D19E26 |
-65.54 |
2.66 |
-8.69 |
-0.77 |
0 |
|
|
58785 |
24714857 |
1 |
SN2O2C18H24 |
AB2C2D18E24 |
-62.5 |
5.57 |
-8.8 |
-0.59 |
0 |
|
|
58786 |
24714859 |
1 |
SN2O2C18H22 |
AB2C2D18E22 |
-25.7 |
5.73 |
-8.38 |
-0.74 |
0 |
|
|
58787 |
24714860 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-91.44 |
3.33 |
-8.98 |
-0.74 |
0 |
|
|
58788 |
24714861 |
1 |
SN2O2C19H24 |
AB2C2D19E24 |
-27.72 |
5.07 |
-8.88 |
-0.62 |
0 |
|
|
58789 |
24714863 |
1 |
SN2O2C16H20 |
AB2C2D16E20 |
-45.59 |
5.01 |
-8.97 |
-0.8 |
0 |
|
|
58790 |
24714865 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-53.53 |
5.29 |
-8.92 |
-0.66 |
0 |
|
|
58791 |
24714866 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-51.45 |
2.12 |
-9.12 |
-0.69 |
0 |
|
|
58792 |
24714868 |
1 |
SN2O2C18H22 |
AB2C2D18E22 |
-16.57 |
3.47 |
-8.98 |
-0.66 |
0 |
|
|
58793 |
24714869 |
1 |
NO2C17H27 |
AB2C17D27 |
-70.46 |
2.57 |
-8.7 |
0.55 |
0 |
|
|
58794 |
24714871 |
1 |
NSO2C13H23 |
ABC2D13E23 |
-90.66 |
3.31 |
-8.76 |
0.16 |
0 |
|
|
58795 |
24714872 |
1 |
NOSC15H27 |
ABCD15E27 |
-68.23 |
2.78 |
-8.6 |
0.02 |
0 |
|
|
58796 |
24714873 |
1 |
NO2C15H23 |
AB2C15D23 |
-60.01 |
2.45 |
-8.72 |
0.32 |
0 |
|
|
58797 |
24714874 |
1 |
NOC16H27 |
ABC16D27 |
-66.88 |
2.66 |
-8.53 |
0.35 |
0 |
|
|
58798 |
24714875 |
1 |
NO2C17H27 |
AB2C17D27 |
-98.36 |
2.7 |
-8.75 |
0.6 |
0 |
|
|
58799 |
24714876 |
1 |
NO3C16H25 |
AB3C16D25 |
-104.75 |
2.14 |
-8.78 |
0.35 |
0 |
|
|
58800 |
24714877 |
1 |
NO3C16H27 |
AB3C16D27 |
-130.08 |
2.5 |
-8.74 |
0.19 |
0 |
|
|
58801 |
24714878 |
1 |
NO4C17H27 |
AB4C17D27 |
-133.39 |
0.38 |
-8.11 |
0.39 |
0 |
|
|
58802 |
24714879 |
1 |
NO4C18H25 |
AB4C18D25 |
-123.45 |
1.47 |
-8.21 |
0.34 |
0 |
|
|
58803 |
24714882 |
1 |
NO3C18H31 |
AB3C18D31 |
-136.77 |
2.62 |
-8.17 |
0.38 |
0 |
|
|
58804 |
24714883 |
1 |
NSO2C13H23 |
ABC2D13E23 |
-84.13 |
1.39 |
-8.68 |
0.24 |
0 |
|
|
58805 |
24714884 |
1 |
NOSC14H25 |
ABCD14E25 |
-56.57 |
1.55 |
-8.6 |
0.12 |
0 |
|
|
58806 |
24714885 |
2 |
NOC9H14 |
ABC9D14 |
-54.53 |
3.2 |
-8.79 |
0.1 |
0 |
|
|
58807 |
24714886 |
1 |
NO2C16H25 |
AB2C16D25 |
-89.42 |
3.65 |
-8.76 |
0.62 |
0 |
|
|
58808 |
24714887 |
1 |
NO3C18H29 |
AB3C18D29 |
-106.05 |
1.26 |
-8.17 |
0.46 |
0 |
|
|
58809 |
24714888 |
1 |
NO4C16H27 |
AB4C16D27 |
-157.51 |
2.49 |
-8.58 |
0.19 |
0 |
|
|
58810 |
24714889 |
1 |
NO4C18H29 |
AB4C18D29 |
-163.87 |
2.41 |
-8.42 |
0.17 |
0 |
|
|
58811 |
24714891 |
1 |
NSO2C12H21 |
ABC2D12E21 |
-76.04 |
1.07 |
-8.68 |
-0.08 |
0 |
|
|
58812 |
24714893 |
1 |
NF2O2C16H23 |
AB2C2D16E23 |
-185.96 |
1.93 |
-8.74 |
-0.18 |
0 |
|
|
58813 |
24714895 |
2 |
NOC9H15 |
ABC9D15 |
-87.26 |
3.02 |
-8.6 |
0.44 |
0 |
|
|
58814 |
24714896 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-65.36 |
2.33 |
-8.64 |
0.53 |
0 |
|
|
58815 |
24714897 |
1 |
NO5C15H19 |
AB5C15D19 |
-136.48 |
1.38 |
-9.36 |
-0.63 |
0 |
|
|
58816 |
24714898 |
1 |
NO5C17H21 |
AB5C17D21 |
-145.95 |
3.3 |
-9.01 |
-0.59 |
0 |
|
|
58817 |
24714900 |
1 |
FN2O3C17H25 |
AB2C3D17E25 |
-125.67 |
5.15 |
-9.01 |
-0.48 |
0 |
|
|
58818 |
24714903 |
1 |
ClN2O2C16H23 |
AB2C2D16E23 |
-52.81 |
4.05 |
-8.68 |
-0.67 |
0 |
|
|
58819 |
24714904 |
1 |
FN2O2C20H23 |
AB2C2D20E23 |
-52.87 |
4.93 |
-8.95 |
-0.5 |
0 |
|
|
58820 |
24714905 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-35.66 |
5.1 |
-8.93 |
-0.25 |
0 |
|
|
58821 |
24714906 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-69.84 |
4.95 |
-8.99 |
-0.36 |
0 |
|
|
58822 |
24714907 |
1 |
FSN2O2H17C18 |
ABC2D2E17F18 |
-92.22 |
3.01 |
-8.78 |
-0.43 |
0 |
|
|
58823 |
24714908 |
1 |
N2O3C18H28 |
A2B3C18D28 |
-86.37 |
6.26 |
-8.71 |
-0.21 |
0 |
|
|
58824 |
24714910 |
1 |
ClN2O3C16H23 |
AB2C3D16E23 |
-80.66 |
6.91 |
-8.88 |
-0.55 |
0 |
|
|
58825 |
24714911 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-30.66 |
4.3 |
-8.98 |
-0.32 |
0 |
|
|
58826 |
24714913 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-46.46 |
3.07 |
-8.96 |
-0.27 |
0 |
|
|
58827 |
24714916 |
1 |
FO2N3C18H24 |
AB2C3D18E24 |
-58.1 |
4.99 |
-8.97 |
-0.29 |
0 |
|
|
58828 |
24714918 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-7.5 |
5.16 |
-8.59 |
0.13 |
0 |
|
|
58829 |
24714920 |
1 |
O2N3C17H21 |
A2B3C17D21 |
23.54 |
1.63 |
-8.76 |
-0.2 |
0 |
|
|
58830 |
24714922 |
1 |
ON4C19H28 |
AB4C19D28 |
30.75 |
2.88 |
-8.59 |
-0.07 |
0 |