List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
282900 |
103944735 |
1 |
NO3C12H25 |
AB3C12D25 |
-181.72 |
5.58 |
-9.62 |
1.12 |
0 |
|
|
282901 |
103944754 |
1 |
NSBr2O2C9H11 |
ABC2D2E9F11 |
-58.32 |
4.14 |
-9.64 |
-1.14 |
0 |
|
|
282902 |
103944768 |
1 |
NO4C11H15 |
AB4C11D15 |
-172.28 |
3.53 |
-9.44 |
-0.63 |
0 |
|
|
282903 |
103944816 |
1 |
N2O3C15H18 |
A2B3C15D18 |
-115.24 |
4.8 |
-9.48 |
-0.8 |
0 |
|
|
282904 |
103944929 |
1 |
N2O3C11H22 |
A2B3C11D22 |
-173.04 |
5.68 |
-9.89 |
1.04 |
0 |
|
|
282905 |
103944932 |
1 |
NO3C12H23 |
AB3C12D23 |
-169.47 |
5.98 |
-9.29 |
0.92 |
0 |
|
|
282906 |
103944937 |
1 |
N2O3C10H16 |
A2B3C10D16 |
-87.71 |
3.97 |
-10.14 |
-0.12 |
0 |
|
|
282907 |
103944976 |
1 |
ClNO2C16H16 |
ABC2D16E16 |
-58.77 |
2.48 |
-9.5 |
-0.13 |
0 |
|
|
282908 |
103945308 |
1 |
NO4C16H17 |
AB4C16D17 |
-127.34 |
4.73 |
-8.62 |
-0.72 |
0 |
|
|
282909 |
103945376 |
1 |
ClNO2H16C17 |
ABC2D16E17 |
-36.63 |
1.67 |
-9.61 |
-0.61 |
0 |
|
|
282910 |
103945422 |
1 |
NSO2C14H19 |
ABC2D14E19 |
-88.65 |
5.09 |
-9.13 |
-0.14 |
0 |
|
|
282911 |
103945442 |
1 |
SN3O3C12H19 |
AB3C3D12E19 |
-122.06 |
6.89 |
-9.47 |
-0.95 |
0 |
|
|
282912 |
103945452 |
1 |
NO3C11H21 |
AB3C11D21 |
-167.66 |
2.8 |
-9.74 |
1.05 |
0 |
|
|
282913 |
103945453 |
1 |
FNO3C13H18 |
ABC3D13E18 |
-184.32 |
5.23 |
-9.76 |
-0.6 |
0 |
|
|
282914 |
103945509 |
1 |
NO2C15H21 |
AB2C15D21 |
-78.25 |
4.35 |
-9.52 |
-0.64 |
0 |
|
|
282915 |
103945611 |
1 |
ClNSO2C14H20 |
ABCD2E14F20 |
-100.62 |
3.45 |
-8.82 |
-0.83 |
0 |
|
|
282916 |
103945612 |
1 |
NO2C17H25 |
AB2C17D25 |
-97.91 |
4.67 |
-9.11 |
-0.39 |
0 |
|
|
282917 |
103945621 |
1 |
SN2O4C14H22 |
AB2C4D14E22 |
-173.19 |
0.46 |
-9.8 |
-0.56 |
0 |
|
|
282918 |
103945631 |
1 |
N2O2F3C13H17 |
A2B2C3D13E17 |
-237.9 |
5.55 |
-10.36 |
-1.52 |
0 |
|
|
282919 |
103945639 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-137.9 |
5.01 |
-9.14 |
-0.17 |
0 |
|
|
282920 |
103945642 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-67.89 |
6.44 |
-9.14 |
-0.33 |
0 |
|
|
282921 |
103945760 |
1 |
FNO3C15H22 |
ABC3D15E22 |
-179.9 |
4.34 |
-9.83 |
-0.46 |
0 |
|
|
282922 |
103945786 |
1 |
INSO2C11H16 |
ABCD2E11F16 |
-66.57 |
3.81 |
-9.61 |
-1.41 |
0 |
|
|
282923 |
103945790 |
1 |
NO2C18H27 |
AB2C18D27 |
-97.73 |
4.92 |
-9.26 |
-0.51 |
0 |
|
|
282924 |
103945929 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-74.87 |
3.0 |
-8.86 |
-0.56 |
0 |
|
|
282925 |
103945934 |
1 |
O2S2N3C14H17 |
A2B2C3D14E17 |
-22.88 |
3.66 |
-8.89 |
-1.38 |
0 |
|
|
282926 |
103946018 |
1 |
NO2F4C14H17 |
AB2C4D14E17 |
-298.46 |
1.55 |
-10.25 |
-1.22 |
0 |
|
|
282927 |
103946020 |
1 |
BrN2O4C13H17 |
AB2C4D13E17 |
-89.91 |
4.43 |
-10.36 |
-1.9 |
0 |
|
|
282928 |
103946031 |
1 |
ClNO3C16H20 |
ABC3D16E20 |
-124.0 |
2.97 |
-9.47 |
-1.06 |
0 |
|
|
282929 |
103946108 |
1 |
BrN2O3C15H21 |
AB2C3D15E21 |
-133.12 |
1.02 |
-9.98 |
-0.85 |
0 |
|
|
282930 |
103946144 |
1 |
FNO2C15H22 |
ABC2D15E22 |
-152.12 |
3.9 |
-9.6 |
-0.14 |
0 |
|
|
282931 |
103946146 |
3 |
NOC5H7 |
ABC5D7 |
-79.46 |
7.06 |
-10.17 |
-1.21 |
0 |
|
|
282932 |
103946285 |
1 |
SN2O2C10H16 |
AB2C2D10E16 |
-74.73 |
4.88 |
-10.04 |
-1.33 |
0 |
|
|
282933 |
103946286 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-43.96 |
2.64 |
-9.63 |
-0.92 |
0 |
|
|
282934 |
103946289 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-101.0 |
3.12 |
-9.06 |
0.87 |
0 |
|
|
282935 |
103946292 |
1 |
SN2O2C11H18 |
AB2C2D11E18 |
-88.29 |
5.47 |
-9.81 |
-1.12 |
0 |
|
|
282936 |
103946354 |
1 |
NO3C16H17 |
AB3C16D17 |
-94.74 |
3.52 |
-9.39 |
-0.26 |
0 |
|
|
282937 |
103946372 |
1 |
Cl2N2O2H14C15 |
A2B2C2D14E15 |
-60.23 |
2.41 |
-8.96 |
-0.58 |
0 |
|
|
282938 |
103946408 |
1 |
ON4H8C13 |
AB4C8D13 |
141.48 |
13.67 |
-9.37 |
-2.25 |
0 |
|
|
282939 |
103946490 |
1 |
N2O4C15H18 |
A2B4C15D18 |
-155.25 |
1.76 |
-9.63 |
-0.29 |
0 |
|
|
282940 |
103946810 |
1 |
O2N3C9H13 |
A2B3C9D13 |
-52.96 |
2.08 |
-9.84 |
-0.81 |
0 |
|
|
282941 |
103946860 |
1 |
NF5H8C9 |
AB5C8D9 |
-233.25 |
3.73 |
-10.1 |
-0.7 |
0 |
|
|
282942 |
103947280 |
1 |
NSBr2O2H11C14 |
ABC2D2E11F14 |
-14.91 |
5.63 |
-8.76 |
-1.3 |
0 |
|
|
282943 |
103947285 |
1 |
NO2C15H19 |
AB2C15D19 |
-73.2 |
5.87 |
-8.6 |
0.1 |
0 |
|
|
282944 |
103947618 |
1 |
O2N3C17H35 |
A2B3C17D35 |
-143.68 |
3.57 |
-8.63 |
1.04 |
0 |
|
|
282945 |
103947637 |
1 |
N3O3C17H33 |
A3B3C17D33 |
-196.15 |
5.22 |
-9.54 |
0.74 |
0 |
|
|
282946 |
103947646 |
1 |
N3O3C17H31 |
A3B3C17D31 |
-181.25 |
6.04 |
-9.16 |
0.75 |
0 |
|
|
282947 |
103947694 |
1 |
BrNOC12H18 |
ABCD12E18 |
-47.28 |
1.95 |
-9.3 |
-0.25 |
0 |
|
|
282948 |
103947762 |
1 |
NO2F3H12C14 |
AB2C3D12E14 |
-190.79 |
3.33 |
-8.98 |
-0.58 |
0 |
|
|
282949 |
103947771 |
1 |
FON2C16H19 |
ABC2D16E19 |
-46.84 |
3.39 |
-8.59 |
-0.34 |
0 |