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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
378729 |
134224824 |
1 |
SO2N5C17H17 |
AB2C5D17E17 |
29.99 |
3.07 |
-8.91 |
-0.64 |
0 |
|
|
378730 |
134224825 |
1 |
SN5C17H17 |
AB5C17D17 |
110.79 |
3.51 |
-8.75 |
-0.46 |
0 |
|
|
378731 |
134224827 |
1 |
OSF3N7C18H18 |
ABC3D7E18F18 |
-89.46 |
4.49 |
-8.8 |
-1.02 |
0 |
|
|
378732 |
134224828 |
1 |
SO3N6C17H20 |
AB3C6D17E20 |
-21.08 |
3.59 |
-8.86 |
-0.62 |
0 |
|
|
378733 |
134224829 |
1 |
OSN6C17H20 |
ABC6D17E20 |
68.96 |
2.43 |
-8.73 |
-0.65 |
0 |
|
|
378734 |
134224830 |
1 |
SF3O3N7C18H18 |
AB3C3D7E18F18 |
-179.61 |
2.14 |
-8.94 |
-0.93 |
0 |
|
|
378735 |
134224831 |
2 |
NH9C14 |
AB9C14 |
126.51 |
2.36 |
-7.87 |
-0.64 |
0 |
|
|
378736 |
134224832 |
2 |
NH10C16 |
AB10C16 |
143.09 |
2.32 |
-7.93 |
-0.81 |
0 |
|
|
378737 |
134224833 |
2 |
NH26C33 |
AB26C33 |
213.49 |
1.66 |
-7.76 |
-0.65 |
0 |
|
|
378738 |
134224834 |
1 |
NSH15C26 |
ABC15D26 |
112.44 |
2.43 |
-8.03 |
-1.02 |
0 |
|
|
378739 |
134224835 |
1 |
N4O7C21H24 |
A4B7C21D24 |
-153.74 |
5.6 |
-9.74 |
-0.77 |
0 |
|
|
378740 |
134224836 |
1 |
N4O8C35H42 |
A4B8C35D42 |
-217.91 |
3.87 |
-9.36 |
-0.16 |
0 |
|
|
378741 |
134224837 |
1 |
NSH13C22 |
ABC13D22 |
96.67 |
2.09 |
-8.07 |
-0.97 |
0 |
|
|
378742 |
134224838 |
1 |
N4O7C35H42 |
A4B7C35D42 |
-173.93 |
3.27 |
-9.37 |
0.0 |
0 |
|
|
378743 |
134224839 |
1 |
N2O7C34H42 |
A2B7C34D42 |
-240.28 |
4.39 |
-9.29 |
-0.17 |
0 |
|
|
378744 |
134224840 |
1 |
SF3O3N7C20H20 |
AB3C3D7E20F20 |
-155.7 |
7.76 |
-8.94 |
-0.97 |
0 |
|
|
378745 |
134224841 |
1 |
SO2F3N5C19H20 |
AB2C3D5E19F20 |
-149.84 |
6.98 |
-8.41 |
-0.4 |
0 |
|
|
378746 |
134224842 |
1 |
SF3O3N5C19H20 |
AB3C3D5E19F20 |
-207.94 |
3.76 |
-8.79 |
-0.61 |
0 |
|
|
378747 |
134224843 |
1 |
SO2N6H16C17 |
AB2C6D16E17 |
35.03 |
3.85 |
-9.05 |
-1.02 |
0 |
|
|
378748 |
134224844 |
1 |
N9C32H67 |
A9B32C67 |
-45.54 |
4.43 |
-8.26 |
0.51 |
0 |
|
|
378749 |
134224846 |
1 |
O2N7C33H63 |
A2B7C33D63 |
-87.25 |
1.67 |
-8.75 |
0.45 |
0 |
|
|
378750 |
134224847 |
1 |
OSN6H16C17 |
ABC6D16E17 |
91.45 |
2.22 |
-8.9 |
-0.85 |
0 |
|
|
378751 |
134224848 |
1 |
OSN3H27C48 |
ABC3D27E48 |
220.44 |
0.79 |
-8.02 |
-1.34 |
0 |
|
|
378752 |
134224849 |
1 |
SN3H29C52 |
AB3C29D52 |
259.4 |
1.49 |
-8.08 |
-1.51 |
0 |
|
|
378753 |
134224850 |
1 |
OSN3H25C46 |
ABC3D25E46 |
219.37 |
1.72 |
-8.09 |
-1.5 |
0 |
|
|
378754 |
134224851 |
2 |
BrNH21C36 |
ABC21D36 |
314.09 |
2.08 |
-8.03 |
-1.12 |
0 |
|
|
378755 |
134224852 |
1 |
BrH25C35 |
AB25C35 |
133.58 |
2.11 |
-8.64 |
-0.55 |
0 |
|
|
378756 |
134224853 |
1 |
S2N3H27C48 |
A2B3C27D48 |
248.66 |
1.5 |
-8.17 |
-1.42 |
0 |
|
|
378757 |
134224854 |
1 |
BrH25C36 |
AB25C36 |
149.75 |
2.08 |
-8.73 |
-0.51 |
0 |
|
|
378758 |
134224855 |
1 |
BrH29C38 |
AB29C38 |
135.88 |
1.78 |
-9.04 |
-0.38 |
0 |
|
|
378759 |
134224856 |
1 |
NS2C32H35 |
AB2C32D35 |
139.27 |
2.91 |
-8.17 |
-0.4 |
0 |
|
|
378760 |
134224857 |
1 |
NSO2H13C22 |
ABC2D13E22 |
89.65 |
5.0 |
-8.51 |
-1.22 |
0 |
|
|
378761 |
134224858 |
1 |
BrN2H19C28 |
AB2C19D28 |
117.24 |
3.04 |
-8.06 |
-0.67 |
0 |
|
|
378762 |
134224859 |
2 |
O3C6H10 |
A3B6C10 |
-248.94 |
3.2 |
-10.01 |
0.22 |
0 |
|
|
378763 |
134224860 |
1 |
O2N3H15C18 |
A2B3C15D18 |
76.67 |
6.72 |
-7.92 |
-1.17 |
0 |
|
|
378764 |
134224861 |
1 |
N2H32C47 |
A2B32C47 |
186.85 |
1.35 |
-7.9 |
-0.65 |
0 |
|
|
378765 |
134224862 |
1 |
ON3H29C51 |
AB3C29D51 |
228.45 |
3.71 |
-8.08 |
-1.22 |
0 |
|
|
378766 |
134224863 |
1 |
N2H36C49 |
A2B36C49 |
185.22 |
1.98 |
-7.81 |
-0.52 |
0 |
|
|
378767 |
134224864 |
1 |
OSN4H34C60 |
ABC4D34E60 |
272.43 |
1.49 |
-8.02 |
-1.16 |
0 |
|
|
378768 |
134224866 |
1 |
INH14C24 |
ABC14D24 |
126.96 |
2.22 |
-8.11 |
-2.77 |
0 |
|
|
378769 |
134224867 |
1 |
BrH31C44 |
AB31C44 |
169.1 |
2.43 |
-8.38 |
-1.18 |
0 |
|
|
378770 |
134224868 |
1 |
BrH25C34 |
AB25C34 |
125.06 |
3.16 |
-8.69 |
-0.81 |
0 |
|
|
378771 |
134224869 |
1 |
SO2H10C14 |
AB2C10D14 |
-20.96 |
4.84 |
-8.99 |
-1.28 |
0 |
|
|
378772 |
134224870 |
1 |
NH27C37 |
AB27C37 |
140.74 |
0.86 |
-8.0 |
-0.54 |
0 |
|
|
378773 |
134224871 |
2 |
N2H5C6 |
A2B5C6 |
91.17 |
4.13 |
-10.15 |
-1.5 |
0 |
|
|
378774 |
134224872 |
1 |
ClON4H17C18 |
ABC4D17E18 |
61.97 |
6.02 |
-8.99 |
-0.48 |
0 |
|
|
378775 |
134224873 |
1 |
NSH17C28 |
ABC17D28 |
197.32 |
2.32 |
-8.08 |
-1.12 |
0 |
|
|
378776 |
134224874 |
1 |
SN2H18C31 |
AB2C18D31 |
146.68 |
2.06 |
-8.25 |
-0.96 |
0 |
|
|
378777 |
134224875 |
1 |
NS2H21C38 |
AB2C21D38 |
163.69 |
1.57 |
-8.28 |
-0.96 |
0 |
|
|
378778 |
134224876 |
1 |
SN2H22C34 |
AB2C22D34 |
151.73 |
1.52 |
-7.86 |
-0.8 |
0 |
|
|
378779 |
134224877 |
1 |
ClN2H17C26 |
AB2C17D26 |
127.56 |
4.3 |
-9.15 |
-1.19 |
0 |
|
|
378780 |
134224879 |
1 |
N3O3C23H25 |
A3B3C23D25 |
-64.95 |
4.22 |
-8.46 |
-0.56 |
0 |
|
|
378781 |
134224880 |
1 |
INC20H22 |
ABC20D22 |
80.31 |
3.59 |
-8.24 |
-0.53 |
0 |
|
|
378782 |
134224881 |
1 |
OC29H32 |
AB29C32 |
-2.64 |
2.11 |
-8.52 |
-0.36 |
0 |
|
|
378783 |
134224882 |
1 |
SN2C14H20 |
AB2C14D20 |
34.11 |
3.85 |
-8.69 |
0.15 |
0 |
|
|
378784 |
134224883 |
1 |
FOC18H21 |
ABC18D21 |
-72.16 |
2.06 |
-8.81 |
0.02 |
0 |
|
|
378785 |
134224884 |
1 |
IO2H17C20 |
AB2C17D20 |
-0.3 |
2.54 |
-9.14 |
-0.75 |
0 |
|
|
378786 |
134224885 |
1 |
OSF4N7H17C18 |
ABC4D7E17F18 |
-129.48 |
3.74 |
-8.81 |
-1.14 |
0 |
|
|
378787 |
134224886 |
1 |
SO3F4N7H17C18 |
AB3C4D7E17F18 |
-220.05 |
5.6 |
-9.12 |
-1.12 |
0 |
|
|
378788 |
134224887 |
1 |
N2C21H28 |
A2B21C28 |
35.84 |
2.44 |
-7.96 |
0.46 |
0 |
|
|
378789 |
134224888 |
1 |
NOC28H33 |
ABC28D33 |
16.33 |
1.15 |
-7.78 |
-0.33 |
0 |
|
|
378790 |
134224890 |
1 |
OF3N5C19H20 |
AB3C5D19E20 |
-133.11 |
3.92 |
-8.72 |
-0.41 |
0 |
|
|
378791 |
134224891 |
1 |
SO4N5C17H19 |
AB4C5D17E19 |
-66.51 |
7.14 |
-8.78 |
-0.6 |
0 |
|
|
378792 |
134224892 |
1 |
SO2N5C17H19 |
AB2C5D17E19 |
23.34 |
2.39 |
-8.7 |
-0.43 |
0 |
|
|
378793 |
134224893 |
1 |
SO3N7C15H17 |
AB3C7D15E17 |
-12.15 |
5.63 |
-9.13 |
-0.91 |
0 |
|
|
378794 |
134224894 |
1 |
FO3N5H16C23 |
AB3C5D16E23 |
1.8 |
4.17 |
-9.68 |
-2.03 |
0 |
|
|
378795 |
134224895 |
1 |
SO3N6C17H20 |
AB3C6D17E20 |
-26.42 |
5.38 |
-8.88 |
-0.6 |
0 |
|
|
378796 |
134224896 |
1 |
N6H16C17 |
A6B16C17 |
115.01 |
6.25 |
-8.91 |
-0.86 |
0 |
|
|
378797 |
134224897 |
1 |
SO2N6C17H20 |
AB2C6D17E20 |
28.36 |
5.01 |
-8.82 |
-0.46 |
0 |
|
|
378798 |
134224898 |
1 |
ON4C14H16 |
AB4C14D16 |
36.53 |
3.1 |
-8.59 |
-0.23 |
0 |
|
|
378799 |
134224899 |
1 |
SF3O3N6C18H19 |
AB3C3D6E18F19 |
-197.59 |
6.88 |
-9.23 |
-1.03 |
0 |
|
|
378800 |
134224900 |
1 |
N6H16C17 |
A6B16C17 |
110.5 |
5.11 |
-8.86 |
-0.76 |
0 |
|
|
378801 |
134224901 |
1 |
OSF4N7H19C20 |
ABC4D7E19F20 |
-110.39 |
3.15 |
-8.83 |
-1.12 |
0 |
|
|
378802 |
134224902 |
1 |
SO3F4N7H19C20 |
AB3C4D7E19F20 |
-196.59 |
6.5 |
-8.99 |
-1.14 |
0 |
|
|
378803 |
134224903 |
1 |
SO3F4N6H18C19 |
AB3C4D6E18F19 |
-242.87 |
2.89 |
-9.29 |
-1.34 |
0 |
|
|
378804 |
134224904 |
1 |
SO2F4N6H18C19 |
AB2C4D6E18F19 |
-186.16 |
3.15 |
-8.76 |
-1.23 |
0 |
|
|
378805 |
134224905 |
2 |
N3C8H8 |
A3B8C8 |
105.93 |
0.81 |
-8.95 |
-0.83 |
0 |
|
|
378806 |
134224906 |
1 |
N6H14C15 |
A6B14C15 |
111.5 |
4.16 |
-8.91 |
-0.82 |
0 |
|
|
378807 |
134224907 |
1 |
N2O2C17H18 |
A2B2C17D18 |
11.73 |
1.91 |
-8.8 |
0.21 |
0 |
|
|
378808 |
134224908 |
1 |
N7C15H15 |
A7B15C15 |
124.01 |
7.06 |
-9.29 |
-0.76 |
0 |
|
|
378809 |
134224910 |
1 |
ClF2N3O3C24H26 |
AB2C3D3E24F26 |
-149.66 |
2.46 |
-8.77 |
-1.09 |
0 |
|
|
378810 |
134224911 |
1 |
ClFO2N4H18C19 |
ABC2D4E18F19 |
-63.43 |
4.43 |
-9.1 |
-0.98 |
0 |
|
|
378811 |
134224912 |
1 |
ON5C14H19 |
AB5C14D19 |
47.9 |
4.91 |
-8.22 |
-0.46 |
0 |
|
|
378812 |
134224913 |
1 |
ClF2N3O3C24H26 |
AB2C3D3E24F26 |
-147.7 |
3.11 |
-8.83 |
-1.14 |
0 |
|
|
378813 |
134224914 |
1 |
OF3N6C16H17 |
AB3C6D16E17 |
-122.89 |
3.87 |
-8.96 |
-0.73 |
0 |
|
|
378814 |
134224915 |
1 |
SO2F3N6C19H21 |
AB2C3D6E19F21 |
-131.85 |
3.68 |
-8.65 |
-0.42 |
0 |
|
|
378815 |
134224916 |
1 |
SF3O3N6C19H21 |
AB3C3D6E19F21 |
-188.24 |
6.87 |
-8.76 |
-0.57 |
0 |
|
|
378816 |
134224917 |
1 |
OSN5C18H25 |
ABC5D18E25 |
35.04 |
1.8 |
-8.69 |
-0.43 |
0 |
|
|
378817 |
134224918 |
1 |
SF3O3N6C19H21 |
AB3C3D6E19F21 |
-188.39 |
6.85 |
-8.96 |
-0.66 |
0 |
|
|
378818 |
134224919 |
1 |
SO2F3N6C19H21 |
AB2C3D6E19F21 |
-134.51 |
5.66 |
-8.86 |
-0.64 |
0 |
|
|
378819 |
134224920 |
1 |
N7H15C16 |
A7B15C16 |
128.97 |
7.21 |
-9.29 |
-0.77 |
0 |
|
|
378820 |
134224921 |
1 |
OSF3N6C20H23 |
ABC3D6E20F23 |
-123.18 |
4.51 |
-8.81 |
-0.53 |
0 |
|
|
378821 |
134224922 |
1 |
SF3O3N5C19H20 |
AB3C3D5E19F20 |
-209.06 |
5.59 |
-8.8 |
-0.53 |
0 |
|
|
378822 |
134224923 |
1 |
NC13H21 |
AB13C21 |
27.72 |
1.98 |
-9.1 |
0.9 |
0 |
|
|
378823 |
134224924 |
1 |
SF3O3N7C18H20 |
AB3C3D7E18F20 |
-177.82 |
7.5 |
-9.2 |
-0.99 |
0 |
|
|
378824 |
134224925 |
1 |
SO2F3N7C19H20 |
AB2C3D7E19F20 |
-127.02 |
6.78 |
-8.74 |
-0.92 |
0 |
|
|
378825 |
134224926 |
1 |
SO2N7C17H17 |
AB2C7D17E17 |
57.24 |
8.12 |
-8.86 |
-0.85 |
0 |
|
|
378826 |
134224927 |
1 |
OSN7C17H17 |
ABC7D17E17 |
112.3 |
7.57 |
-8.87 |
-0.82 |
0 |
|
|
378827 |
134224928 |
1 |
SF3O3N7C19H20 |
AB3C3D7E19F20 |
-182.05 |
7.85 |
-8.97 |
-0.99 |
0 |
|
|
378828 |
134224929 |
2 |
N3C8H8 |
A3B8C8 |
110.9 |
6.26 |
-8.9 |
-0.84 |
0 |