List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
401874 |
135053150 |
1 |
NO3H11C17 |
AB3C11D17 |
-13.49 |
7.64 |
-9.54 |
-0.96 |
0 |
|
|
401875 |
135053155 |
1 |
SO3H10C11 |
AB3C10D11 |
-81.57 |
3.67 |
-9.48 |
-0.7 |
0 |
|
|
401876 |
135053179 |
4 |
OH5C6 |
AB5C6 |
-72.8 |
5.39 |
-8.2 |
-0.83 |
0 |
|
|
401877 |
135053180 |
1 |
O4C17H22 |
A4B17C22 |
-110.52 |
4.92 |
-8.61 |
0.0 |
0 |
|
|
401878 |
135053181 |
1 |
O4H18C19 |
A4B18C19 |
-60.8 |
5.71 |
-8.89 |
-0.61 |
0 |
|
|
401879 |
135053187 |
1 |
ClN3H12C17 |
AB3C12D17 |
118.78 |
5.74 |
-9.22 |
-1.11 |
0 |
|
|
401880 |
135053189 |
1 |
ON3H11C14 |
AB3C11D14 |
83.85 |
5.8 |
-9.21 |
-0.93 |
0 |
|
|
401881 |
135053192 |
1 |
ClNPF6C11H11 |
ABCD6E11F11 |
-413.24 |
1.9 |
-8.69 |
-0.47 |
0 |
|
|
401882 |
135053197 |
1 |
N2O3C26H28 |
A2B3C26D28 |
-46.33 |
2.3 |
-8.49 |
-0.28 |
0 |
|
|
401883 |
135053201 |
1 |
NO2C17H17 |
AB2C17D17 |
-54.52 |
3.3 |
-8.83 |
-0.73 |
0 |
|
|
401884 |
135053202 |
1 |
NO3C17H17 |
AB3C17D17 |
-83.15 |
3.01 |
-8.89 |
-0.76 |
0 |
|
|
401885 |
135053203 |
1 |
NO5C14H15 |
AB5C14D15 |
-104.84 |
4.3 |
-10.54 |
-1.8 |
0 |
|
|
401886 |
135053206 |
1 |
NO6C28H31 |
AB6C28D31 |
-157.14 |
2.9 |
-7.86 |
-0.22 |
0 |
|
|
401887 |
135053207 |
1 |
SN2Cl4O8C22H24 |
AB2C4D8E22F24 |
48.83 |
14.64 |
-9.37 |
-3.25 |
0 |
|
|
401888 |
135053213 |
1 |
O3C13H14 |
A3B13C14 |
-99.79 |
3.31 |
-9.22 |
-0.71 |
0 |
|
|
401889 |
135053222 |
1 |
ClNO3H10C15 |
ABC3D10E15 |
8.97 |
5.66 |
-9.49 |
-1.31 |
0 |
|
|
401890 |
135053225 |
1 |
SO4H20C23 |
AB4C20D23 |
-80.01 |
6.69 |
-9.14 |
-0.72 |
0 |
|
|
401891 |
135053229 |
1 |
O5C22H34 |
A5B22C34 |
-236.51 |
4.15 |
-9.15 |
-0.86 |
0 |
|
|
401892 |
135053232 |
1 |
SO2H10C17 |
AB2C10D17 |
0.49 |
3.63 |
-8.97 |
-1.16 |
0 |
|
|
401893 |
135053244 |
1 |
NO5C13H13 |
AB5C13D13 |
-108.62 |
2.43 |
-10.41 |
-1.56 |
0 |
|
|
401894 |
135053254 |
1 |
NO4H13C16 |
AB4C13D16 |
-19.94 |
5.9 |
-9.35 |
-0.89 |
0 |
|
|
401895 |
135053261 |
1 |
NS3O5H17C22 |
AB3C5D17E22 |
-15.98 |
4.06 |
-8.12 |
-1.64 |
0 |
|
|
401896 |
135053264 |
1 |
NCl2O4C12H15 |
AB2C4D12E15 |
33.8 |
15.81 |
-9.59 |
-2.25 |
0 |
|
|
401897 |
135053265 |
1 |
SN2C12H16 |
AB2C12D16 |
59.89 |
2.74 |
-8.26 |
-0.3 |
0 |
|
|
401898 |
135053267 |
1 |
NOSCl4H7C11 |
ABCD4E7F11 |
33.86 |
1.84 |
-8.76 |
-1.03 |
0 |
|
|
401899 |
135053274 |
1 |
ClO2H15C19 |
AB2C15D19 |
-18.42 |
3.76 |
-9.6 |
-0.8 |
0 |
|
|
401900 |
135053276 |
1 |
ClNO7H26C27 |
ABC7D26E27 |
-17.75 |
15.3 |
-8.26 |
-1.82 |
0 |
|
|
401901 |
135053277 |
1 |
SO2C5H8 |
AB2C5D8 |
-62.55 |
3.73 |
-8.68 |
0.19 |
0 |
|
|
401902 |
135053280 |
1 |
NO3C19H31 |
AB3C19D31 |
-147.2 |
9.29 |
-8.25 |
0.29 |
0 |
|
|
401903 |
135053290 |
1 |
ClNO3S3H14C18 |
ABC3D3E14F18 |
-45.25 |
2.63 |
-7.62 |
-1.08 |
0 |
|
|
401904 |
135053291 |
1 |
NOS2C17H17 |
ABC2D17E17 |
38.19 |
4.4 |
-8.78 |
-0.62 |
0 |
|
|
401905 |
135053299 |
1 |
OSH18C19 |
ABC18D19 |
21.26 |
5.19 |
-8.87 |
-0.28 |
0 |
|
|
401906 |
135053301 |
1 |
NOSH5C6 |
ABCD5E6 |
21.56 |
3.35 |
-9.08 |
-0.18 |
0 |
|
|
401907 |
135053303 |
1 |
NS2O6H13C16 |
AB2C6D13E16 |
-74.73 |
6.01 |
-8.16 |
-1.78 |
0 |
|
|
401908 |
135053306 |
1 |
NOPC26H26 |
ABCD26E26 |
20.9 |
13.24 |
-7.81 |
-0.66 |
0 |
|
|
401909 |
135053310 |
1 |
CoPO4H36C43 |
ABC4D36E43 |
65.82 |
10.84 |
-8.96 |
-4.45 |
0 |
|
|
401910 |
135053327 |
1 |
LiOSeH9C15 |
ABCD9E15 |
25.64 |
4.89 |
-7.99 |
-0.35 |
0 |
|
|
401912 |
135053353 |
1 |
NOC20H25 |
ABC20D25 |
-5.29 |
1.42 |
-8.51 |
0.36 |
0 |
|
|
401913 |
135053360 |
1 |
ClON3H8C15 |
ABC3D8E15 |
106.44 |
5.78 |
-9.17 |
-1.99 |
0 |
|
|
401914 |
135053363 |
1 |
OSiC23H38 |
ABC23D38 |
-69.86 |
1.02 |
-9.17 |
0.28 |
0 |
|
|
401915 |
135053364 |
1 |
OSiN2C24H42 |
ABC2D24E42 |
-123.07 |
6.5 |
-8.62 |
0.6 |
0 |
|
|
401916 |
135053376 |
1 |
SeN2C15H17 |
AB2C15D17 |
86.16 |
2.88 |
0.0 |
0.0 |
0 |
|
|
401918 |
135053383 |
1 |
O3C14H18 |
A3B14C18 |
-87.28 |
5.63 |
-9.69 |
-0.81 |
0 |
|
|
401919 |
135053384 |
1 |
NOC17H21 |
ABC17D21 |
-16.7 |
4.37 |
-8.85 |
0.03 |
0 |
|
|
401920 |
135053386 |
2 |
ON2C7H9 |
AB2C7D9 |
-0.97 |
8.29 |
-8.62 |
-0.81 |
0 |
|
|
401921 |
135053388 |
1 |
SO5H12C18 |
AB5C12D18 |
-64.21 |
4.45 |
-8.68 |
-1.7 |
0 |
|
|
401922 |
135053389 |
1 |
FOSN2H5C8 |
ABCD2E5F8 |
-0.5 |
2.43 |
-9.44 |
-1.28 |
0 |
|
|
401923 |
135053390 |
1 |
FN2O6H17C18 |
AB2C6D17E18 |
-263.79 |
6.46 |
-9.57 |
-0.88 |
0 |
|
|
401924 |
135053391 |
1 |
N2F3O6H17C19 |
A2B3C6D17E19 |
-379.32 |
7.52 |
-10.13 |
-1.01 |
0 |
|
|
401925 |
135053394 |
1 |
ClNH14C20 |
ABC14D20 |
69.87 |
4.09 |
-9.03 |
-0.99 |
0 |