List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
212795 |
81061861 |
1 |
ClN2O3C9H17 |
AB2C3D9E17 |
-147.34 |
7.27 |
-9.62 |
-0.18 |
0 |
|
|
212796 |
81061862 |
1 |
OSN4C10H20 |
ABC4D10E20 |
-10.81 |
8.17 |
-8.17 |
0.14 |
0 |
|
|
212797 |
81061864 |
1 |
ClON3C9H14 |
ABC3D9E14 |
-15.4 |
3.95 |
-9.15 |
-0.5 |
0 |
|
|
212798 |
81061865 |
1 |
ClN2O2C11H17 |
AB2C2D11E17 |
-71.36 |
1.63 |
-8.84 |
-0.52 |
0 |
|
|
212799 |
81061868 |
1 |
ClON3C13H20 |
ABC3D13E20 |
-14.22 |
4.98 |
-8.98 |
-0.29 |
0 |
|
|
212800 |
81061869 |
1 |
ClON2C11H17 |
ABC2D11E17 |
-33.63 |
4.73 |
-8.66 |
-0.03 |
0 |
|
|
212801 |
81061870 |
1 |
ClON3C14H18 |
ABC3D14E18 |
-3.56 |
4.73 |
-8.91 |
-0.89 |
0 |
|
|
212802 |
81061871 |
1 |
ClON3C11H18 |
ABC3D11E18 |
-24.89 |
6.11 |
-8.98 |
-0.43 |
0 |
|
|
212803 |
81061872 |
1 |
ClON7C11H16 |
ABC7D11E16 |
59.81 |
6.41 |
-9.88 |
-1.38 |
0 |
|
|
212804 |
81061873 |
1 |
BrNO2C12H24 |
ABC2D12E24 |
-106.43 |
3.42 |
-9.1 |
0.12 |
0 |
|
|
212805 |
81061874 |
1 |
BrNOF3C8H15 |
ABCD3E8F15 |
-213.04 |
3.44 |
-9.36 |
-0.93 |
0 |
|
|
212806 |
81061875 |
1 |
N3O3C8H17 |
A3B3C8D17 |
-100.59 |
2.05 |
-9.1 |
0.61 |
0 |
|
|
212807 |
81061876 |
1 |
BrNOC12H26 |
ABCD12E26 |
-83.45 |
3.21 |
-8.88 |
0.15 |
0 |
|
|
212808 |
81061877 |
1 |
ClNOC12H26 |
ABCD12E26 |
-93.8 |
3.21 |
-8.84 |
0.89 |
0 |
|
|
212809 |
81061878 |
1 |
N3O3C13H25 |
A3B3C13D25 |
-108.59 |
4.16 |
-9.12 |
0.62 |
0 |
|
|
212810 |
81061879 |
2 |
ON2C5H9 |
AB2C5D9 |
-61.04 |
2.07 |
-9.02 |
0.15 |
0 |
|
|
212811 |
81061880 |
1 |
ON2C12H28 |
AB2C12D28 |
-73.22 |
0.85 |
-8.53 |
2.17 |
0 |
|
|
212812 |
81061884 |
1 |
BFNO3C13H21 |
ABCD3E13F21 |
-236.58 |
2.98 |
-9.14 |
-0.2 |
0 |
|
|
212813 |
81061887 |
1 |
FON2C15H21 |
ABC2D15E21 |
-34.12 |
4.44 |
-9.13 |
-0.38 |
0 |
|
|
212814 |
81061888 |
1 |
N4O4C11H18 |
A4B4C11D18 |
-119.91 |
9.2 |
-9.99 |
-0.79 |
0 |
|
|
212815 |
81061889 |
1 |
NSO2C13H19 |
ABC2D13E19 |
-12.83 |
2.68 |
-8.97 |
-0.53 |
0 |
|
|
212816 |
81061891 |
1 |
NSO4C13H21 |
ABC4D13E21 |
-160.73 |
3.13 |
-9.54 |
-0.66 |
0 |
|
|
212817 |
81061892 |
1 |
FNO2C16H22 |
ABC2D16E22 |
-75.17 |
4.28 |
-9.08 |
-0.53 |
0 |
|
|
212818 |
81061894 |
2 |
NOC8H11 |
ABC8D11 |
-60.04 |
4.64 |
-8.35 |
0.09 |
0 |
|
|
212819 |
81061895 |
1 |
NO2C14H23 |
AB2C14D23 |
-82.85 |
2.58 |
-8.95 |
0.45 |
0 |
|
|
212820 |
81061897 |
1 |
NO2C14H29 |
AB2C14D29 |
-130.88 |
2.9 |
-8.53 |
2.1 |
0 |
|
|
212821 |
81061903 |
1 |
NO2C17H29 |
AB2C17D29 |
-100.96 |
1.99 |
-9.03 |
0.39 |
0 |
|
|
212822 |
81061904 |
1 |
NO2C11H25 |
AB2C11D25 |
-129.14 |
2.81 |
-8.79 |
2.11 |
0 |
|
|
212823 |
81061905 |
1 |
NO3C16H21 |
AB3C16D21 |
-69.2 |
4.12 |
-9.28 |
-0.49 |
0 |
|
|
212824 |
81061907 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-4.01 |
3.17 |
-9.65 |
-0.93 |
0 |
|
|
212825 |
81061908 |
1 |
S2N3O3C9H15 |
A2B3C3D9E15 |
-82.13 |
7.95 |
-8.9 |
-1.28 |
0 |
|
|
212826 |
81061913 |
1 |
ON3C12H25 |
AB3C12D25 |
-33.96 |
4.69 |
-8.84 |
1.41 |
0 |
|
|
212827 |
81061915 |
1 |
NSO4C14H19 |
ABC4D14E19 |
-106.51 |
4.28 |
-9.47 |
-1.11 |
0 |
|
|
212828 |
81061916 |
1 |
ON3C10H21 |
AB3C10D21 |
-32.08 |
4.65 |
-9.16 |
1.29 |
0 |
|
|
212829 |
81061939 |
1 |
O2N3C13H27 |
A2B3C13D27 |
-77.41 |
3.18 |
-8.77 |
0.97 |
0 |
|
|
212830 |
81061945 |
1 |
SN2O3C13H22 |
AB2C3D13E22 |
-118.79 |
5.29 |
-8.65 |
-0.2 |
0 |
|
|
212831 |
81061956 |
1 |
NO2C12H25 |
AB2C12D25 |
-117.11 |
2.66 |
-9.03 |
1.84 |
0 |
|
|
212832 |
81061960 |
1 |
ClON5C12H22 |
ABC5D12E22 |
-19.78 |
4.07 |
-9.09 |
-0.01 |
0 |
|
|
212833 |
81061962 |
1 |
ClO3N4C9H13 |
AB3C4D9E13 |
-16.66 |
6.61 |
-9.72 |
-1.36 |
0 |
|
|
212834 |
81061963 |
1 |
ClON5C10H18 |
ABC5D10E18 |
-3.77 |
3.79 |
-9.25 |
-0.21 |
0 |
|
|
212835 |
81061977 |
1 |
ON2C13H30 |
AB2C13D30 |
-80.32 |
2.39 |
-8.7 |
2.09 |
0 |
|
|
212836 |
81061981 |
2 |
NOC7H11 |
ABC7D11 |
-79.34 |
3.6 |
-8.38 |
0.43 |
0 |
|
|
212837 |
81061985 |
1 |
OSN2C14H22 |
ABC2D14E22 |
9.6 |
3.13 |
-8.87 |
-0.37 |
0 |
|
|
212838 |
81061986 |
1 |
NO3C16H23 |
AB3C16D23 |
-57.08 |
3.95 |
-8.59 |
-0.12 |
0 |
|
|
212839 |
81061992 |
1 |
NO2C15H31 |
AB2C15D31 |
-135.38 |
2.93 |
-8.67 |
1.99 |
0 |
|
|
212840 |
81061993 |
1 |
NO2C17H31 |
AB2C17D31 |
-129.04 |
2.17 |
-8.81 |
2.0 |
0 |
|
|
212841 |
81061998 |
1 |
NO3C15H19 |
AB3C15D19 |
-57.86 |
1.81 |
-9.4 |
-0.76 |
0 |
|
|
212842 |
81062001 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-1.18 |
5.43 |
-9.32 |
-0.87 |
0 |
|
|
212843 |
81062002 |
2 |
NOC8H11 |
ABC8D11 |
-37.01 |
4.43 |
-9.23 |
-0.43 |
0 |
|
|
212844 |
81062003 |
1 |
ON3C11H23 |
AB3C11D23 |
-39.7 |
6.48 |
-9.21 |
1.5 |
0 |