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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
26823 |
798844 |
1 |
NO3H19C22 |
AB3C19D22 |
-22.53 |
1.91 |
-8.52 |
-0.62 |
0 |
|
|
26824 |
798865 |
1 |
BrFNOH13C16 |
ABCDE13F16 |
-28.05 |
4.94 |
-9.07 |
-0.71 |
0 |
|
|
26825 |
798907 |
1 |
FNOH16C21 |
ABCD16E21 |
2.71 |
3.94 |
-8.82 |
-0.76 |
0 |
|
|
26826 |
798925 |
1 |
FSN2O2H11C12 |
ABC2D2E11F12 |
-77.47 |
4.11 |
-9.09 |
-1.03 |
0 |
|
|
26827 |
798967 |
1 |
ClNOC18H18 |
ABCD18E18 |
-9.93 |
6.32 |
-8.87 |
-0.32 |
0 |
|
|
26828 |
798995 |
1 |
OF2N2H16C17 |
AB2C2D16E17 |
-79.66 |
2.11 |
-8.89 |
-0.56 |
0 |
|
|
26829 |
799029 |
1 |
BrNOC15H18 |
ABCD15E18 |
-19.38 |
6.93 |
-8.87 |
-0.31 |
0 |
|
|
26830 |
799149 |
1 |
OSN2H12C14 |
ABC2D12E14 |
33.29 |
2.18 |
-8.32 |
-0.91 |
0 |
|
|
26831 |
799161 |
1 |
O3H18C23 |
A3B18C23 |
-55.18 |
3.3 |
-8.94 |
-1.16 |
0 |
|
|
26832 |
799175 |
1 |
SN2O4C13H18 |
AB2C4D13E18 |
-74.31 |
4.78 |
-9.61 |
-1.95 |
0 |
|
|
26833 |
799180 |
1 |
SN2O4C15H16 |
AB2C4D15E16 |
-42.9 |
4.59 |
-9.54 |
-1.88 |
0 |
|
|
26834 |
799213 |
1 |
O3N6H12C14 |
A3B6C12D14 |
-1.29 |
12.57 |
-9.76 |
-1.42 |
0 |
|
|
26835 |
799226 |
1 |
BrN2O3C9H9 |
AB2C3D9E9 |
-89.59 |
2.06 |
-9.33 |
-1.09 |
0 |
|
|
26836 |
799294 |
1 |
SN2C16H18 |
AB2C16D18 |
39.96 |
6.34 |
-8.46 |
-0.27 |
0 |
|
|
26837 |
799344 |
1 |
O2N3C13H13 |
A2B3C13D13 |
-14.26 |
2.12 |
-8.69 |
-0.69 |
0 |
|
|
26838 |
799348 |
1 |
ClSN3C14H14 |
ABC3D14E14 |
53.2 |
6.32 |
-8.66 |
-0.74 |
0 |
|
|
26839 |
799382 |
1 |
ON3C13H17 |
AB3C13D17 |
1.23 |
1.33 |
-8.21 |
-0.04 |
0 |
|
|
26840 |
799455 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-85.33 |
2.71 |
-8.53 |
-0.05 |
0 |
|
|
26841 |
799465 |
1 |
ClNOC18H18 |
ABCD18E18 |
-12.81 |
3.86 |
-8.81 |
-0.45 |
0 |
|
|
26842 |
799508 |
1 |
BrFNOH13C16 |
ABCDE13F16 |
-32.56 |
5.0 |
-9.06 |
-0.86 |
0 |
|
|
26843 |
799526 |
1 |
ClN2O2C14H19 |
AB2C2D14E19 |
-18.09 |
4.95 |
-8.7 |
-0.57 |
0 |
|
|
26844 |
799554 |
1 |
NO2C18H19 |
AB2C18D19 |
-31.57 |
2.61 |
-8.61 |
-0.28 |
0 |
|
|
26845 |
799571 |
1 |
OSN3C15H15 |
ABC3D15E15 |
27.93 |
7.02 |
-9.71 |
-1.19 |
0 |
|
|
26846 |
799650 |
1 |
SN2C17H20 |
AB2C17D20 |
44.75 |
4.81 |
-8.52 |
0.11 |
0 |
|
|
26847 |
799763 |
1 |
SN2O3C13H18 |
AB2C3D13E18 |
-80.94 |
3.91 |
-8.32 |
-0.34 |
0 |
|
|
26848 |
799816 |
1 |
N2O2F3H7C9 |
A2B2C3D7E9 |
-211.95 |
4.17 |
-9.78 |
-1.05 |
0 |
|
|
26849 |
799914 |
1 |
SO3N4C10H10 |
AB3C4D10E10 |
-51.21 |
9.18 |
-9.9 |
-1.08 |
0 |
|
|
26850 |
799916 |
1 |
SO2F3H9C16 |
AB2C3D9E16 |
-186.75 |
7.29 |
-8.83 |
-1.62 |
0 |
|
|
26851 |
799994 |
1 |
Cl2N2O3C15H22 |
A2B2C3D15E22 |
-124.77 |
2.46 |
-9.03 |
-0.63 |
0 |
|
|
26852 |
800005 |
1 |
SO3N4C16H18 |
AB3C4D16E18 |
-32.45 |
8.14 |
-9.18 |
-0.66 |
0 |
|
|
26853 |
800008 |
1 |
SO3N4C12H18 |
AB3C4D12E18 |
-73.05 |
8.89 |
-8.86 |
-0.8 |
0 |
|
|
26854 |
800057 |
1 |
N2O3H18C19 |
A2B3C18D19 |
-87.66 |
1.83 |
-8.93 |
-0.44 |
0 |
|
|
26855 |
800104 |
1 |
NO4C15H15 |
AB4C15D15 |
-104.18 |
5.1 |
-8.82 |
-0.31 |
0 |
|
|
26856 |
800105 |
1 |
NO4C15H15 |
AB4C15D15 |
-104.04 |
4.03 |
-8.79 |
-0.32 |
0 |
|
|
26857 |
800165 |
1 |
SN4C16H18 |
AB4C16D18 |
70.95 |
3.45 |
-8.77 |
-1.04 |
0 |
|
|
26858 |
800435 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-87.85 |
4.35 |
-8.74 |
0.08 |
0 |
|
|
26859 |
800466 |
1 |
SN3O3C16H25 |
AB3C3D16E25 |
-119.83 |
5.53 |
-8.8 |
0.19 |
0 |
|
|
26860 |
800467 |
1 |
SN2O4C15H22 |
AB2C4D15E22 |
-148.55 |
1.55 |
-9.57 |
-0.95 |
0 |
|
|
26861 |
800468 |
2 |
NO2C9H12 |
AB2C9D12 |
-178.26 |
2.73 |
-9.26 |
-0.75 |
0 |
|
|
26862 |
800474 |
1 |
NO3C21H23 |
AB3C21D23 |
-78.03 |
3.97 |
-8.83 |
0.03 |
0 |
|
|
26863 |
800493 |
1 |
NO2C16H23 |
AB2C16D23 |
-94.16 |
3.69 |
-8.79 |
0.19 |
0 |
|
|
26864 |
800495 |
1 |
NO2C16H23 |
AB2C16D23 |
-93.03 |
5.33 |
-8.82 |
0.17 |
0 |
|
|
26865 |
800497 |
1 |
ClOSN2H13C14 |
ABCD2E13F14 |
3.11 |
1.9 |
-9.32 |
-0.92 |
0 |
|
|
26866 |
800513 |
1 |
ON4C21H22 |
AB4C21D22 |
27.38 |
5.62 |
-8.52 |
-0.83 |
0 |
|
|
26867 |
800519 |
1 |
ClSN2O2C16H17 |
ABC2D2E16F17 |
-27.68 |
4.61 |
-8.38 |
-0.49 |
0 |
|
|
26868 |
800521 |
1 |
NF2O3H9C12 |
AB2C3D9E12 |
-187.56 |
8.62 |
-9.8 |
-1.54 |
0 |
|
|
26869 |
800611 |
1 |
ClNOC14H18 |
ABCD14E18 |
-55.5 |
3.14 |
-9.51 |
-0.28 |
0 |
|
|
26870 |
800897 |
1 |
NO4H9C10 |
AB4C9D10 |
-143.87 |
2.47 |
-9.56 |
-0.9 |
0 |
|
|
26871 |
800925 |
1 |
OSN2F3C15H17 |
ABC2D3E15F17 |
-191.1 |
3.61 |
-9.1 |
-1.62 |
0 |
|
|
26872 |
801029 |
1 |
ClOSN2H13C18 |
ABCD2E13F18 |
27.87 |
5.5 |
-8.89 |
-1.34 |
0 |
|
|
26873 |
801044 |
1 |
ClSO2N4H11C15 |
ABC2D4E11F15 |
93.7 |
7.79 |
-8.46 |
-1.48 |
0 |
|
|
26874 |
801049 |
1 |
FN2O3H17C18 |
AB2C3D17E18 |
-98.61 |
3.96 |
-8.47 |
-0.26 |
0 |
|
|
26875 |
801051 |
1 |
ClFO3H16C19 |
ABC3D16E19 |
-130.04 |
5.18 |
-9.14 |
-0.46 |
0 |
|
|
26876 |
801052 |
1 |
NO4C18H19 |
AB4C18D19 |
-102.63 |
4.81 |
-8.78 |
-0.69 |
0 |
|
|
26877 |
801053 |
1 |
O5H12C13 |
A5B12C13 |
-176.38 |
6.58 |
-9.17 |
-1.19 |
0 |
|
|
26878 |
801224 |
1 |
ClFOSN2C11H12 |
ABCDE2F11G12 |
-80.08 |
5.49 |
-9.0 |
-0.95 |
0 |
|
|
26879 |
801229 |
1 |
OSN2C16H20 |
ABC2D16E20 |
-24.5 |
2.99 |
-8.97 |
-0.65 |
0 |
|
|
26880 |
801241 |
1 |
FN2O5H9C16 |
AB2C5D9E16 |
-107.1 |
1.26 |
-9.38 |
-2.37 |
0 |
|
|
26881 |
801367 |
1 |
ClSN2O3H11C15 |
ABC2D3E11F15 |
-68.75 |
7.45 |
-9.21 |
-1.58 |
0 |
|
|
26882 |
801682 |
1 |
ClON3H16C20 |
ABC3D16E20 |
54.3 |
2.77 |
-8.55 |
-0.89 |
0 |
|
|
26883 |
801986 |
1 |
SO2N3H15C17 |
AB2C3D15E17 |
15.84 |
5.38 |
-9.15 |
-0.68 |
0 |
|
|
26884 |
801999 |
1 |
SN2O4H16C17 |
AB2C4D16E17 |
-114.78 |
11.17 |
-9.07 |
-1.14 |
0 |
|
|
26885 |
802022 |
1 |
FNO3C16H18 |
ABC3D16E18 |
-166.06 |
2.3 |
-9.12 |
-0.34 |
0 |
|
|
26886 |
802068 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
-43.08 |
4.84 |
-9.13 |
-0.54 |
0 |
|
|
26887 |
802839 |
1 |
NSO5C17H19 |
ABC5D17E19 |
-148.9 |
4.69 |
-8.93 |
-0.44 |
0 |
|
|
26888 |
803126 |
1 |
NO2C15H23 |
AB2C15D23 |
-73.81 |
2.19 |
-8.14 |
0.18 |
0 |
|
|
26889 |
803179 |
1 |
SN2O2C12H14 |
AB2C2D12E14 |
-48.26 |
4.99 |
-8.51 |
-0.55 |
0 |
|
|
26890 |
803224 |
2 |
NOC9H9 |
ABC9D9 |
9.15 |
5.99 |
-8.65 |
-0.25 |
0 |
|
|
26891 |
803227 |
1 |
ClN2O3C15H19 |
AB2C3D15E19 |
-64.49 |
7.9 |
-9.59 |
-1.56 |
0 |
|
|
26892 |
803438 |
1 |
BrNO2H12C13 |
ABC2D12E13 |
-25.5 |
3.81 |
-9.43 |
-0.86 |
0 |
|
|
26893 |
803750 |
1 |
FNOS2H8C11 |
ABCD2E8F11 |
-14.39 |
3.66 |
-9.19 |
-1.39 |
0 |
|
|
26894 |
803751 |
1 |
BrN2O2H13C16 |
AB2C2D13E16 |
-12.56 |
0.99 |
-9.34 |
-0.83 |
0 |
|
|
26895 |
803761 |
1 |
NOCl2C15H19 |
ABC2D15E19 |
-68.33 |
2.64 |
-9.17 |
-0.48 |
0 |
|
|
26896 |
803763 |
1 |
SN2O2C15H18 |
AB2C2D15E18 |
-69.09 |
3.6 |
-8.89 |
-0.84 |
0 |
|
|
26897 |
803764 |
1 |
SN2O2C15H18 |
AB2C2D15E18 |
-68.73 |
4.5 |
-8.9 |
-0.87 |
0 |
|
|
26898 |
803767 |
1 |
NO2C16H25 |
AB2C16D25 |
-85.58 |
0.93 |
-8.7 |
0.55 |
0 |
|
|
26899 |
803770 |
1 |
N2O2C17H20 |
A2B2C17D20 |
-30.34 |
3.99 |
-9.17 |
-0.18 |
0 |
|
|
26900 |
803807 |
1 |
SN4H12C18 |
AB4C12D18 |
114.43 |
3.59 |
-8.59 |
-1.29 |
0 |
|
|
26901 |
803908 |
1 |
O5H16C18 |
A5B16C18 |
-123.59 |
6.09 |
-8.74 |
-0.91 |
0 |
|
|
26902 |
803909 |
1 |
NOCl2C12H15 |
ABC2D12E15 |
-38.45 |
4.58 |
-8.97 |
-0.37 |
0 |
|
|
26903 |
803910 |
1 |
N5H15C21 |
A5B15C21 |
150.64 |
3.7 |
-8.87 |
-0.85 |
0 |
|
|
26904 |
803911 |
1 |
NO2C16H23 |
AB2C16D23 |
-51.86 |
1.04 |
-8.22 |
0.08 |
0 |
|
|
26905 |
803912 |
1 |
NSO3C19H21 |
ABC3D19E21 |
-62.26 |
5.31 |
-8.51 |
-0.87 |
0 |
|
|
26906 |
803987 |
1 |
SO3N4H14C16 |
AB3C4D14E16 |
32.5 |
7.29 |
-9.02 |
-1.41 |
0 |
|
|
26907 |
804077 |
1 |
SO2N3C18H23 |
AB2C3D18E23 |
-40.82 |
10.44 |
-8.5 |
-1.29 |
0 |
|
|
26908 |
804142 |
1 |
SN3H15C16 |
AB3C15D16 |
94.34 |
5.05 |
-8.48 |
-0.94 |
0 |
|
|
26909 |
804187 |
1 |
NO4C12H15 |
AB4C12D15 |
-177.44 |
2.86 |
-8.8 |
-1.06 |
0 |
|
|
26910 |
804200 |
2 |
O2H7C11 |
A2B7C11 |
-62.44 |
2.86 |
-9.03 |
-1.15 |
0 |
|
|
26911 |
804322 |
1 |
NO4H17C18 |
AB4C17D18 |
-130.21 |
4.56 |
-8.96 |
-0.74 |
0 |
|
|
26912 |
804353 |
2 |
ClO2H6C8 |
AB2C6D8 |
-111.28 |
6.09 |
-9.11 |
-1.37 |
0 |
|
|
26913 |
804376 |
1 |
N2O6H12C17 |
A2B6C12D17 |
-106.51 |
9.73 |
-10.19 |
-1.78 |
0 |
|
|
26914 |
804379 |
1 |
N2O2C21H24 |
A2B2C21D24 |
-58.85 |
5.86 |
-8.72 |
0.04 |
0 |
|
|
26915 |
804380 |
1 |
N2O2H12C15 |
A2B2C12D15 |
18.12 |
2.37 |
-9.16 |
-1.16 |
0 |
|
|
26916 |
804381 |
1 |
ClFN2O2H14C17 |
ABC2D2E14F17 |
-91.4 |
2.6 |
-9.17 |
-0.57 |
0 |
|
|
26917 |
804383 |
1 |
ClFN2O2H14C17 |
ABC2D2E14F17 |
-90.02 |
4.1 |
-9.09 |
-0.46 |
0 |
|
|
26918 |
804384 |
1 |
NO4C14H15 |
AB4C14D15 |
-160.49 |
8.26 |
-9.68 |
-0.76 |
0 |
|
|
26919 |
804386 |
1 |
NO4C14H15 |
AB4C14D15 |
-160.71 |
8.0 |
-9.67 |
-0.75 |
0 |
|
|
26920 |
804387 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-98.78 |
5.19 |
-8.91 |
-0.55 |
0 |
|
|
26921 |
804391 |
1 |
N2O6H12C17 |
A2B6C12D17 |
-105.21 |
6.19 |
-9.09 |
-2.12 |
0 |
|
|
26922 |
804394 |
1 |
SN2O3H16C17 |
AB2C3D16E17 |
-50.02 |
2.17 |
-8.43 |
-0.5 |
0 |