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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
401824 |
135052800 |
1 |
BrPN2O2H30C32 |
ABC2D2E30F32 |
55.03 |
2.18 |
-8.88 |
-0.59 |
0 |
|
|
401825 |
135052803 |
1 |
N2H16C17 |
A2B16C17 |
97.51 |
3.29 |
-9.04 |
-0.76 |
0 |
|
|
401826 |
135052805 |
1 |
NaSN2O2C17H17 |
ABC2D2E17F17 |
-29.77 |
3.11 |
-7.69 |
-0.09 |
0 |
|
|
401827 |
135052814 |
1 |
BrSN2O4C15H21 |
ABC2D4E15F21 |
-111.52 |
7.91 |
-7.89 |
-0.88 |
0 |
|
|
401828 |
135052815 |
1 |
LiO5C13H13 |
AB5C13D13 |
-212.22 |
3.85 |
-8.82 |
-0.25 |
0 |
|
|
401829 |
135052826 |
1 |
ON2H16C18 |
AB2C16D18 |
75.55 |
1.07 |
-9.21 |
-0.72 |
0 |
|
|
401830 |
135052829 |
1 |
N3O3C11H13 |
A3B3C11D13 |
-4.41 |
8.83 |
-9.16 |
-1.48 |
0 |
|
|
401831 |
135052837 |
2 |
NOH12C14 |
ABC12D14 |
49.27 |
5.08 |
-8.26 |
-0.84 |
0 |
|
|
401832 |
135052847 |
1 |
NCl2O2H13C16 |
AB2C2D13E16 |
-36.76 |
3.42 |
-9.15 |
-0.7 |
0 |
|
|
401833 |
135052853 |
1 |
NO5C14H15 |
AB5C14D15 |
-111.94 |
5.85 |
-10.61 |
-1.64 |
0 |
|
|
401834 |
135052861 |
1 |
SiO4C23H34 |
AB4C23D34 |
-153.7 |
4.21 |
-9.11 |
-0.39 |
0 |
|
|
401835 |
135052862 |
1 |
NO3H11C17 |
AB3C11D17 |
-13.13 |
7.82 |
-9.4 |
-1.23 |
0 |
|
|
401836 |
135052863 |
1 |
NO2H23C26 |
AB2C23D26 |
-2.0 |
6.25 |
-9.01 |
-0.56 |
0 |
|
|
401837 |
135052865 |
1 |
O5C16H20 |
A5B16C20 |
-191.19 |
2.19 |
-9.11 |
-0.59 |
0 |
|
|
401838 |
135052869 |
1 |
O8H22C23 |
A8B22C23 |
-227.17 |
2.23 |
-8.8 |
-0.96 |
0 |
|
|
401839 |
135052873 |
2 |
O2H8C9 |
A2B8C9 |
-83.78 |
5.64 |
-8.69 |
-1.19 |
0 |
|
|
401840 |
135052874 |
1 |
O3H18C20 |
A3B18C20 |
-65.35 |
4.99 |
-8.91 |
-1.0 |
0 |
|
|
401841 |
135052876 |
1 |
ClNO6H16C18 |
ABC6D16E18 |
-107.34 |
6.08 |
-8.82 |
-0.86 |
0 |
|
|
401842 |
135052884 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-37.68 |
4.16 |
-8.18 |
-0.02 |
0 |
|
|
401843 |
135052906 |
1 |
NO3C18H19 |
AB3C18D19 |
-76.28 |
7.83 |
-8.65 |
-0.57 |
0 |
|
|
401844 |
135052907 |
1 |
TlF6O6H7C12 |
AB6C6D7E12 |
-486.82 |
10.31 |
-10.91 |
-2.47 |
0 |
|
|
401845 |
135052930 |
3 |
OC4H4 |
AB4C4 |
-66.5 |
6.76 |
-9.49 |
-0.65 |
0 |
|
|
401846 |
135052938 |
1 |
ClO7H11C16 |
AB7C11D16 |
-24.38 |
6.87 |
-9.28 |
-4.07 |
0 |
|
|
401847 |
135052943 |
1 |
SO3H14C17 |
AB3C14D17 |
-32.47 |
7.7 |
-8.44 |
-1.4 |
0 |
|
|
401848 |
135052947 |
1 |
N2C17H22 |
A2B17C22 |
63.33 |
3.92 |
-8.42 |
0.17 |
0 |
|
|
401849 |
135052948 |
1 |
ON2C19H24 |
AB2C19D24 |
23.13 |
4.41 |
-8.42 |
-0.06 |
0 |
|
|
401850 |
135052959 |
3 |
OC5H6 |
AB5C6 |
-116.25 |
3.88 |
-8.78 |
-0.56 |
0 |
|
|
401851 |
135052960 |
1 |
O3C14H14 |
A3B14C14 |
-99.31 |
4.14 |
-9.08 |
-0.62 |
0 |
|
|
401852 |
135052962 |
1 |
NO3H13C16 |
AB3C13D16 |
8.14 |
4.91 |
-9.37 |
-1.01 |
0 |
|
|
401853 |
135052963 |
1 |
NCl2O2H7C16 |
AB2C2D7E16 |
12.35 |
6.44 |
-10.0 |
-1.76 |
0 |
|
|
401854 |
135052975 |
1 |
NO2H19C21 |
AB2C19D21 |
-6.04 |
2.59 |
-8.38 |
-0.23 |
0 |
|
|
401855 |
135052982 |
1 |
NO5H17C18 |
AB5C17D18 |
-69.58 |
6.22 |
-8.78 |
-0.78 |
0 |
|
|
401856 |
135052988 |
1 |
O3H14C16 |
A3B14C16 |
-79.34 |
6.48 |
-8.76 |
-0.68 |
0 |
|
|
401857 |
135052989 |
1 |
NO3C19H21 |
AB3C19D21 |
-85.14 |
7.87 |
-8.61 |
-0.53 |
0 |
|
|
401858 |
135052992 |
1 |
N3H13C17 |
A3B13C17 |
128.69 |
5.82 |
-9.3 |
-0.84 |
0 |
|
|
401859 |
135052999 |
1 |
NO5H17C19 |
AB5C17D19 |
-74.25 |
7.35 |
-10.18 |
-1.41 |
0 |
|
|
401860 |
135053010 |
1 |
NO2H17C18 |
AB2C17D18 |
-18.11 |
3.29 |
-8.89 |
-0.44 |
0 |
|
|
401861 |
135053013 |
1 |
OSH14C15 |
ABC14D15 |
-2.15 |
2.55 |
-8.94 |
-0.08 |
0 |
|
|
401862 |
135053040 |
1 |
O2H14C15 |
A2B14C15 |
0.12 |
5.25 |
-9.37 |
-0.64 |
0 |
|
|
401863 |
135053068 |
1 |
O4H14C15 |
A4B14C15 |
-86.94 |
5.08 |
-8.79 |
-0.45 |
0 |
|
|
401864 |
135053078 |
4 |
OH3C5 |
AB3C5 |
-43.29 |
2.16 |
-8.67 |
-1.46 |
0 |
|
|
401865 |
135053109 |
1 |
O5H12C19 |
A5B12C19 |
-132.35 |
4.33 |
-8.83 |
-1.28 |
0 |
|
|
401866 |
135053116 |
1 |
ClNO2H16C17 |
ABC2D16E17 |
-29.0 |
8.16 |
-9.05 |
-0.5 |
0 |
|
|
401867 |
135053118 |
1 |
N2O2C25H26 |
A2B2C25D26 |
-2.13 |
6.29 |
-8.98 |
-0.41 |
0 |
|
|
401868 |
135053123 |
1 |
NO5H15C17 |
AB5C15D17 |
-60.07 |
6.33 |
-8.79 |
-1.0 |
0 |
|
|
401869 |
135053131 |
1 |
ClNO3H12C16 |
ABC3D12E16 |
-1.38 |
5.21 |
-9.47 |
-1.14 |
0 |
|
|
401870 |
135053135 |
1 |
NO3C27H27 |
AB3C27D27 |
-49.93 |
5.58 |
-8.98 |
-0.56 |
0 |
|
|
401871 |
135053136 |
1 |
NO3H27C28 |
AB3C27D28 |
-47.05 |
5.7 |
-9.0 |
-0.48 |
0 |
|
|
401872 |
135053138 |
1 |
ON2F3C13H15 |
AB2C3D13E15 |
-161.78 |
3.07 |
-8.96 |
-0.46 |
0 |
|
|
401873 |
135053139 |
1 |
ON2C18H20 |
AB2C18D20 |
5.36 |
3.54 |
-8.75 |
-0.37 |
0 |
|
|
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 |