List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
268825 |
103601122 |
1 |
IO3H15C16 |
AB3C15D16 |
-62.03 |
1.44 |
-9.27 |
-0.98 |
0 |
|
|
268826 |
103601131 |
1 |
OC17H18 |
AB17C18 |
4.27 |
0.4 |
-8.65 |
-0.13 |
0 |
|
|
268827 |
103601132 |
1 |
O2C13H20 |
A2B13C20 |
-93.35 |
1.25 |
-8.67 |
0.43 |
0 |
|
|
268828 |
103601133 |
1 |
OSC14H22 |
ABC14D22 |
-45.73 |
0.63 |
-8.56 |
0.39 |
0 |
|
|
268829 |
103601138 |
1 |
SO3C13H14 |
AB3C13D14 |
-95.66 |
6.63 |
-9.01 |
-0.86 |
0 |
|
|
268830 |
103601139 |
1 |
ClOSC13H13 |
ABCD13E13 |
-11.44 |
3.69 |
-8.54 |
-0.54 |
0 |
|
|
268831 |
103601142 |
1 |
ClOSC10H13 |
ABCD10E13 |
-36.68 |
3.69 |
-8.74 |
-0.04 |
0 |
|
|
268832 |
103601168 |
1 |
ClSO2C11H13 |
ABC2D11E13 |
-86.37 |
3.99 |
-9.27 |
-0.58 |
0 |
|
|
268833 |
103601169 |
1 |
SO3C12H16 |
AB3C12D16 |
-132.92 |
1.65 |
-9.39 |
-0.52 |
0 |
|
|
268834 |
103601170 |
1 |
N2O2C7H10 |
A2B2C7D10 |
-72.42 |
2.26 |
-10.1 |
-0.04 |
0 |
|
|
268835 |
103601177 |
1 |
O3C18H20 |
A3B18C20 |
-95.22 |
6.07 |
-8.91 |
-0.82 |
0 |
|
|
268836 |
103601178 |
1 |
SO2C18H20 |
AB2C18D20 |
-59.27 |
2.36 |
-8.91 |
-0.42 |
0 |
|
|
268837 |
103601179 |
1 |
BrOC17H19 |
ABC17D19 |
-10.73 |
2.91 |
-8.71 |
-0.23 |
0 |
|
|
268838 |
103601187 |
1 |
BrOSC12H15 |
ABCD12E15 |
-28.37 |
3.4 |
-8.74 |
-0.33 |
0 |
|
|
268839 |
103601188 |
1 |
SO3C9H16 |
AB3C9D16 |
-150.83 |
4.05 |
-8.89 |
0.43 |
0 |
|
|
268840 |
103601191 |
1 |
SO3C10H12 |
AB3C10D12 |
-82.6 |
1.52 |
-8.5 |
-0.08 |
0 |
|
|
268841 |
103601192 |
1 |
NSO2C11H15 |
ABC2D11E15 |
-68.12 |
5.14 |
-8.48 |
0.09 |
0 |
|
|
268842 |
103601197 |
2 |
NO2H5C7 |
AB2C5D7 |
9.43 |
3.97 |
-9.38 |
-1.61 |
0 |
|
|
268843 |
103601198 |
2 |
NOC4H6 |
ABC4D6 |
-82.51 |
1.55 |
-9.62 |
0.12 |
0 |
|
|
268844 |
103601199 |
1 |
OC13H18 |
AB13C18 |
-36.45 |
1.82 |
-8.48 |
0.6 |
0 |
|
|
268845 |
103601200 |
1 |
BrO2F4H9C14 |
AB2C4D9E14 |
-202.01 |
1.72 |
-9.49 |
-0.92 |
0 |
|
|
268846 |
103601213 |
1 |
NOH3F4C8 |
ABC3D4E8 |
-151.65 |
3.25 |
-10.22 |
-1.24 |
0 |
|
|
268847 |
103601214 |
1 |
OSCl2C9H10 |
ABC2D9E10 |
-39.08 |
3.47 |
-8.98 |
-0.49 |
0 |
|
|
268848 |
103601218 |
1 |
BrOF4H7C13 |
ABC4D7E13 |
-162.81 |
1.66 |
-9.79 |
-0.84 |
0 |
|
|
268849 |
103601221 |
1 |
OF4H4C9 |
AB4C4D9 |
-142.79 |
2.08 |
-9.79 |
-0.85 |
0 |
|
|
268850 |
103601224 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-75.71 |
3.64 |
-8.78 |
0.08 |
0 |
|
|
268851 |
103601225 |
1 |
BrNO5H12C14 |
ABC5D12E14 |
-67.4 |
8.38 |
-9.26 |
-1.59 |
0 |
|
|
268852 |
103601226 |
1 |
BrNO5H10C14 |
ABC5D10E14 |
-45.31 |
5.11 |
-9.54 |
-1.42 |
0 |
|
|
268853 |
103601230 |
1 |
Cl2N2C11H12 |
A2B2C11D12 |
32.97 |
2.89 |
-9.4 |
-0.62 |
0 |
|
|
268854 |
103601241 |
1 |
BrNOC18H22 |
ABCD18E22 |
-16.88 |
5.57 |
-8.5 |
-0.62 |
0 |
|
|
268855 |
103601246 |
1 |
O3N4H10C13 |
A3B4C10D13 |
-13.83 |
1.8 |
-8.88 |
-1.46 |
0 |
|
|
268856 |
103601252 |
1 |
IN2O3C10H11 |
AB2C3D10E11 |
-97.41 |
1.6 |
-9.4 |
-1.2 |
0 |
|
|
268857 |
103601254 |
1 |
NO3C16H17 |
AB3C16D17 |
-99.82 |
3.83 |
-9.16 |
-0.45 |
0 |
|
|
268858 |
103601262 |
1 |
NO3C15H15 |
AB3C15D15 |
-102.09 |
3.4 |
-9.29 |
-0.49 |
0 |
|
|
268859 |
103601267 |
1 |
NOF2C10H11 |
ABC2D10E11 |
-128.8 |
3.13 |
-9.6 |
-0.12 |
0 |
|
|
268860 |
103601268 |
1 |
BrClINOSH10C13 |
ABCDEFG10H13 |
27.47 |
4.11 |
-9.13 |
-1.59 |
0 |
|
|
268861 |
103601284 |
1 |
FO2N3H14C15 |
AB2C3D14E15 |
-83.14 |
4.95 |
-9.25 |
-0.55 |
0 |
|
|
268862 |
103601286 |
1 |
N2O2C11H20 |
A2B2C11D20 |
-89.42 |
2.37 |
-9.59 |
0.99 |
0 |
|
|
268863 |
103601294 |
1 |
BrINSH9C15 |
ABCDE9F15 |
103.6 |
2.21 |
-9.13 |
-1.33 |
0 |
|
|
268864 |
103601295 |
1 |
ISN2C12H13 |
ABC2D12E13 |
63.37 |
3.83 |
-8.67 |
-0.8 |
0 |
|
|
268865 |
103601296 |
1 |
ISN2C13H15 |
ABC2D13E15 |
57.51 |
3.98 |
-8.63 |
-0.78 |
0 |
|
|
268866 |
103601297 |
1 |
BrINSH9C15 |
ABCDE9F15 |
103.79 |
1.28 |
-9.13 |
-1.32 |
0 |
|
|
268867 |
103601298 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-122.71 |
3.52 |
-9.48 |
-0.14 |
0 |
|
|
268868 |
103601299 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-122.36 |
3.15 |
-9.21 |
-0.19 |
0 |
|
|
268869 |
103601300 |
1 |
NO3C16H19 |
AB3C16D19 |
-75.11 |
1.03 |
-9.17 |
0.2 |
0 |
|
|
268870 |
103601301 |
1 |
NO2C18H21 |
AB2C18D21 |
-53.17 |
2.06 |
-9.1 |
0.03 |
0 |
|
|
268871 |
103601303 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-112.53 |
4.23 |
-9.69 |
-0.16 |
0 |
|
|
268872 |
103601304 |
1 |
NSO4C15H21 |
ABC4D15E21 |
-162.99 |
7.26 |
-9.75 |
-0.25 |
0 |
|
|
268873 |
103601312 |
1 |
NOC14H29 |
ABC14D29 |
-92.16 |
2.54 |
-8.6 |
0.77 |
0 |
|
|
268874 |
103601313 |
1 |
NO2C15H31 |
AB2C15D31 |
-140.25 |
1.87 |
-8.67 |
0.84 |
0 |
|
|
268875 |
103601314 |
1 |
NO2C15H31 |
AB2C15D31 |
-144.51 |
1.5 |
-8.73 |
0.91 |
0 |
|
|
268876 |
103601320 |
2 |
NO2C6H11 |
AB2C6D11 |
-194.29 |
0.85 |
-8.99 |
0.63 |
0 |
|
|
268877 |
103601411 |
1 |
N2O5C11H14 |
A2B5C11D14 |
-127.68 |
10.58 |
-9.71 |
-1.38 |
0 |
|
|
268878 |
103601518 |
1 |
BrClNO2C15H15 |
ABCD2E15F15 |
-40.93 |
8.09 |
-8.4 |
-0.12 |
0 |
|
|
268879 |
103601520 |
1 |
BrClN2C15H16 |
ABC2D15E16 |
41.87 |
7.63 |
-8.4 |
-0.06 |
0 |
|
|
268880 |
103601526 |
1 |
BrClN2C17H20 |
ABC2D17E20 |
28.58 |
8.24 |
-8.22 |
-0.03 |
0 |
|
|
268881 |
103601542 |
2 |
BrOC6H7 |
ABC6D7 |
-55.81 |
3.5 |
-9.54 |
-1.1 |
0 |
|
|
268882 |
103601611 |
1 |
NO4C14H21 |
AB4C14D21 |
-150.32 |
2.8 |
-8.68 |
0.23 |
0 |
|
|
268883 |
103601612 |
1 |
NOSC17H19 |
ABCD17E19 |
-10.79 |
4.54 |
-9.07 |
-0.48 |
0 |
|
|
268884 |
103601752 |
1 |
OF2N4H8C9 |
AB2C4D8E9 |
-66.31 |
3.25 |
-9.39 |
-0.9 |
0 |
|
|
268885 |
103601754 |
1 |
SF2N2O2C11H12 |
AB2C2D2E11F12 |
-147.12 |
2.75 |
-9.48 |
-0.94 |
0 |
|
|
268886 |
103601826 |
1 |
Cl2N2S2H4C9 |
A2B2C2D4E9 |
89.28 |
2.38 |
-9.2 |
-1.29 |
0 |
|
|
268887 |
103601903 |
1 |
ClNO4C14H20 |
ABC4D14E20 |
-151.85 |
3.9 |
-9.05 |
-0.28 |
0 |
|
|
268888 |
103601904 |
1 |
NCl2O3H13C14 |
AB2C3D13E14 |
-73.05 |
3.17 |
-9.08 |
-0.69 |
0 |
|
|
268889 |
103601920 |
1 |
NO5C15H23 |
AB5C15D23 |
-177.1 |
4.35 |
-8.42 |
0.06 |
0 |
|
|
268890 |
103601962 |
1 |
NSO2C13H13 |
ABC2D13E13 |
-25.49 |
4.27 |
-8.8 |
-0.5 |
0 |
|
|
268891 |
103601968 |
1 |
ClN2O3C13H17 |
AB2C3D13E17 |
-104.61 |
5.45 |
-9.29 |
-0.78 |
0 |
|
|
268892 |
103601978 |
1 |
NO3C15H21 |
AB3C15D21 |
-118.64 |
4.23 |
-9.17 |
0.38 |
0 |
|
|
268893 |
103601987 |
1 |
ClFNO3C15H15 |
ABCD3E15F15 |
-112.81 |
5.44 |
-8.93 |
-0.55 |
0 |
|
|
268894 |
103601988 |
1 |
ClFNO3H13C14 |
ABCD3E13F14 |
-109.6 |
2.98 |
-9.04 |
-0.64 |
0 |
|
|
268895 |
103601989 |
1 |
BrN2O3C13H17 |
AB2C3D13E17 |
-119.54 |
4.65 |
-9.38 |
-0.92 |
0 |
|
|
268896 |
103602008 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-73.37 |
5.05 |
-9.55 |
-1.06 |
0 |
|
|
268897 |
103602009 |
1 |
INO3C10H12 |
ABC3D10E12 |
-96.59 |
4.03 |
-9.08 |
-0.88 |
0 |
|
|
268898 |
103602010 |
1 |
INCl2O2H8C13 |
ABC2D2E8F13 |
-35.05 |
4.68 |
-9.24 |
-1.29 |
0 |
|
|
268899 |
103602020 |
1 |
BrN2O2C11H11 |
AB2C2D11E11 |
-36.55 |
1.49 |
-9.43 |
-1.08 |
0 |