List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
111864 |
50384601 |
1 |
O5N6C40H50 |
A5B6C40D50 |
-193.99 |
3.04 |
-8.64 |
-0.33 |
0 |
|
|
111865 |
50384626 |
1 |
N6O7C39H52 |
A6B7C39D52 |
-266.45 |
11.17 |
-8.55 |
-0.51 |
0 |
|
|
111866 |
50384627 |
2 |
N3O3C20H27 |
A3B3C20D27 |
-258.41 |
11.64 |
-8.6 |
-0.2 |
0 |
|
|
111867 |
50384642 |
1 |
O3N4C31H42 |
A3B4C31D42 |
-137.19 |
1.85 |
-8.77 |
-0.03 |
0 |
|
|
111868 |
50384671 |
1 |
O5N6C38H52 |
A5B6C38D52 |
-231.11 |
6.1 |
-8.81 |
-0.24 |
0 |
|
|
111869 |
50384677 |
1 |
O5N6C40H54 |
A5B6C40D54 |
-229.81 |
8.21 |
-8.84 |
-0.21 |
0 |
|
|
111870 |
50384879 |
1 |
O4N5C33H45 |
A4B5C33D45 |
-167.81 |
8.4 |
-8.7 |
-0.76 |
0 |
|
|
111871 |
50384880 |
1 |
O4N5C34H47 |
A4B5C34D47 |
-171.04 |
7.65 |
-8.83 |
-0.34 |
0 |
|
|
111872 |
50384889 |
1 |
ClN6O6C31H39 |
AB6C6D31E39 |
-241.03 |
4.08 |
-8.9 |
-0.47 |
0 |
|
|
111873 |
50384890 |
1 |
ClN6O6C34H45 |
AB6C6D34E45 |
-253.94 |
13.87 |
-8.78 |
-1.03 |
0 |
|
|
111874 |
50384891 |
1 |
ClN6O6C36H47 |
AB6C6D36E47 |
-256.37 |
5.4 |
-8.91 |
-0.64 |
0 |
|
|
111875 |
50384924 |
1 |
O5N6C41H56 |
A5B6C41D56 |
-230.77 |
7.59 |
-8.83 |
-0.28 |
0 |
|
|
111876 |
50384954 |
1 |
O5N6C40H50 |
A5B6C40D50 |
-192.47 |
9.72 |
-8.74 |
-0.73 |
0 |
|
|
111877 |
50384962 |
1 |
N6O6C39H52 |
A6B6C39D52 |
-246.63 |
11.02 |
-8.85 |
-0.12 |
0 |
|
|
111878 |
50385218 |
1 |
O5N6C38H52 |
A5B6C38D52 |
-226.93 |
5.24 |
-8.82 |
-0.22 |
0 |
|
|
111879 |
50385260 |
1 |
ClN6O6C36H47 |
AB6C6D36E47 |
-253.17 |
9.69 |
-8.8 |
-0.93 |
0 |
|
|
111880 |
50385261 |
1 |
ClN6O7C34H43 |
AB6C7D34E43 |
-272.53 |
5.24 |
-8.88 |
-0.94 |
0 |
|
|
111881 |
50385262 |
1 |
ClN6O6C35H45 |
AB6C6D35E45 |
-250.84 |
9.16 |
-8.85 |
-1.02 |
0 |
|
|
111882 |
50385263 |
1 |
ClN6O6C36H47 |
AB6C6D36E47 |
-250.35 |
4.75 |
-9.02 |
-0.7 |
0 |
|
|
111883 |
50385264 |
1 |
ClN5O5C30H38 |
AB5C5D30E38 |
-199.47 |
8.23 |
-8.68 |
-0.42 |
0 |
|
|
111884 |
50385265 |
1 |
N6O6C31H40 |
A6B6C31D40 |
-227.71 |
8.51 |
-9.15 |
-0.46 |
0 |
|
|
111885 |
50385266 |
1 |
N6O6C33H44 |
A6B6C33D44 |
-230.03 |
8.53 |
-8.83 |
-0.27 |
0 |
|
|
111886 |
50385267 |
2 |
N3O3C17H23 |
A3B3C17D23 |
-244.09 |
5.16 |
-9.08 |
-0.5 |
0 |
|
|
111887 |
50385268 |
1 |
N6O6C37H50 |
A6B6C37D50 |
-247.86 |
6.31 |
-8.98 |
-0.49 |
0 |
|
|
111888 |
50385269 |
2 |
N3O3C17H23 |
A3B3C17D23 |
-245.5 |
3.38 |
-8.96 |
-0.51 |
0 |
|
|
111889 |
50385270 |
1 |
N6O6C35H48 |
A6B6C35D48 |
-247.58 |
7.75 |
-8.88 |
-0.72 |
0 |
|
|
111890 |
50385271 |
1 |
N6O6C35H46 |
A6B6C35D46 |
-230.45 |
6.6 |
-9.01 |
-0.42 |
0 |
|
|
111891 |
50385282 |
1 |
ClN6O6C32H41 |
AB6C6D32E41 |
-236.35 |
3.99 |
-9.18 |
-0.67 |
0 |
|
|
111892 |
50385435 |
1 |
ClO5N6C37H49 |
AB5C6D37E49 |
-233.0 |
7.06 |
-8.8 |
-0.64 |
0 |
|
|
111893 |
50385436 |
1 |
ClO5N6C38H51 |
AB5C6D38E51 |
-237.77 |
6.05 |
-9.06 |
-0.63 |
0 |
|
|
111894 |
50385437 |
1 |
ClO5N6C36H49 |
AB5C6D36E49 |
-233.74 |
2.69 |
-8.84 |
-0.78 |
0 |
|
|
111895 |
50385548 |
1 |
O5N6C41H56 |
A5B6C41D56 |
-225.84 |
5.87 |
-8.79 |
-0.18 |
0 |
|
|
111896 |
50385687 |
1 |
N6O6C33H44 |
A6B6C33D44 |
-248.94 |
8.14 |
-8.8 |
-0.68 |
0 |
|
|
111897 |
50385773 |
1 |
O5N6C36H50 |
A5B6C36D50 |
-234.35 |
7.71 |
-8.75 |
-0.68 |
0 |
|
|
111898 |
50385809 |
2 |
N3O3C16H21 |
A3B3C16D21 |
-232.44 |
0.76 |
-8.84 |
-0.38 |
0 |
|
|
111899 |
50385810 |
1 |
ClN6O6C36H41 |
AB6C6D36E41 |
-200.38 |
3.41 |
-8.79 |
-0.69 |
0 |
|
|
111900 |
50385836 |
1 |
FO4N5C34H44 |
AB4C5D34E44 |
-221.97 |
3.95 |
-8.75 |
-0.24 |
0 |
|
|
111901 |
50386002 |
1 |
ClO5N6C38H51 |
AB5C6D38E51 |
-236.12 |
10.96 |
-9.0 |
-0.6 |
0 |
|
|
111902 |
50386003 |
1 |
ClO5N6C35H47 |
AB5C6D35E47 |
-233.63 |
3.81 |
-9.06 |
-0.69 |
0 |
|
|
111903 |
50386004 |
1 |
ClO5N6C36H49 |
AB5C6D36E49 |
-238.31 |
3.84 |
-8.86 |
-0.74 |
0 |
|
|
111904 |
50386089 |
1 |
O5N6C38H52 |
A5B6C38D52 |
-230.64 |
7.59 |
-8.52 |
-0.12 |
0 |
|
|
111905 |
50386188 |
2 |
N3O3C19H25 |
A3B3C19D25 |
-236.78 |
2.12 |
-8.89 |
-0.48 |
0 |
|
|
111906 |
50386189 |
1 |
O5N6C40H48 |
A5B6C40D48 |
-177.52 |
6.14 |
-8.77 |
-0.89 |
0 |
|
|
111907 |
50386190 |
1 |
FO5N6C40H47 |
AB5C6D40E47 |
-221.39 |
11.19 |
-9.03 |
-0.96 |
0 |
|
|
111908 |
50386203 |
1 |
N6O6C37H50 |
A6B6C37D50 |
-257.1 |
9.98 |
-8.03 |
-0.16 |
0 |
|
|
111909 |
50386219 |
1 |
O5N6C36H50 |
A5B6C36D50 |
-233.59 |
10.37 |
-8.91 |
-0.26 |
0 |
|
|
111910 |
50386220 |
1 |
O5N6C39H54 |
A5B6C39D54 |
-237.82 |
3.19 |
-8.88 |
-0.25 |
0 |
|
|
111911 |
50386221 |
1 |
O5N6C36H50 |
A5B6C36D50 |
-226.71 |
5.0 |
-8.72 |
-0.63 |
0 |
|
|
111912 |
50386222 |
1 |
O5N6C37H52 |
A5B6C37D52 |
-232.85 |
6.36 |
-8.89 |
-0.42 |
0 |
|
|
111913 |
50386223 |
1 |
N6O6C33H44 |
A6B6C33D44 |
-244.1 |
8.99 |
-8.69 |
-0.76 |
0 |
|
|
111914 |
50386367 |
1 |
FO5N6C41H51 |
AB5C6D41E51 |
-243.11 |
2.56 |
-8.59 |
-0.47 |
0 |
|
|
111915 |
50386368 |
1 |
O5N6C41H52 |
A5B6C41D52 |
-193.01 |
6.5 |
-8.81 |
-0.61 |
0 |
|
|
111916 |
50386509 |
1 |
ClO5N6C37H51 |
AB5C6D37E51 |
-237.41 |
6.45 |
-8.82 |
-0.58 |
0 |
|
|
111917 |
50386510 |
1 |
ClO5N6C39H53 |
AB5C6D39E53 |
-241.43 |
2.92 |
-8.63 |
-0.49 |
0 |
|
|
111918 |
50386750 |
1 |
ClO4N5C35H48 |
AB4C5D35E48 |
-195.49 |
8.14 |
-8.85 |
-0.14 |
0 |
|
|
111919 |
50386796 |
1 |
FO5N6C40H49 |
AB5C6D40E49 |
-243.13 |
9.86 |
-8.84 |
-0.61 |
0 |
|
|
111920 |
50386797 |
1 |
FO5N6C40H49 |
AB5C6D40E49 |
-246.79 |
11.16 |
-8.6 |
-0.84 |
0 |
|
|
111921 |
50386798 |
1 |
F2O5N6C39H46 |
A2B5C6D39E46 |
-280.46 |
5.38 |
-8.92 |
-0.78 |
0 |
|
|
111922 |
50386799 |
1 |
O5N6C39H48 |
A5B6C39D48 |
-189.76 |
9.3 |
-8.75 |
-0.78 |
0 |
|
|
111923 |
50386843 |
1 |
FO5N6C41H51 |
AB5C6D41E51 |
-245.32 |
5.43 |
-8.76 |
-0.58 |
0 |
|
|
111924 |
50386844 |
1 |
FO5N6C41H51 |
AB5C6D41E51 |
-244.46 |
5.45 |
-8.81 |
-0.62 |
0 |
|
|
111925 |
50386911 |
1 |
FO5N6C40H49 |
AB5C6D40E49 |
-239.34 |
11.14 |
-8.86 |
-0.42 |
0 |
|
|
111926 |
50386991 |
1 |
N6O6C39H52 |
A6B6C39D52 |
-255.5 |
7.41 |
-8.76 |
-0.34 |
0 |
|
|
111927 |
50386992 |
1 |
O5N6C40H54 |
A5B6C40D54 |
-228.45 |
2.95 |
-8.79 |
-0.35 |
0 |
|
|
111928 |
50387139 |
1 |
FN6O6C37H49 |
AB6C6D37E49 |
-293.56 |
6.19 |
-8.59 |
-0.39 |
0 |
|
|
111929 |
50387218 |
1 |
FO5N6C41H51 |
AB5C6D41E51 |
-236.98 |
7.52 |
-8.79 |
-0.6 |
0 |
|
|
111930 |
50387219 |
1 |
F2O5N6C40H48 |
A2B5C6D40E48 |
-281.6 |
4.18 |
-8.94 |
-0.63 |
0 |
|
|
111931 |
50387220 |
1 |
F2O5N6C40H48 |
A2B5C6D40E48 |
-273.06 |
7.76 |
-8.84 |
-0.65 |
0 |
|
|
111932 |
50387234 |
1 |
ClO4N5C33H42 |
AB4C5D33E42 |
-175.36 |
7.9 |
-8.77 |
-0.81 |
0 |
|
|
111933 |
50387295 |
2 |
N3O3C20H25 |
A3B3C20D25 |
-218.79 |
10.08 |
-8.67 |
-0.48 |
0 |
|
|
111934 |
50387296 |
1 |
ClO5N6C39H47 |
AB5C6D39E47 |
-183.18 |
6.48 |
-8.69 |
-0.91 |
0 |
|
|
111935 |
50387297 |
1 |
O5N6C36H50 |
A5B6C36D50 |
-228.23 |
6.64 |
-8.16 |
-0.06 |
0 |
|
|
111936 |
50387357 |
1 |
ClO5N6C36H49 |
AB5C6D36E49 |
-242.44 |
9.05 |
-8.75 |
-0.94 |
0 |
|
|
111937 |
50387375 |
1 |
N6O6C43H54 |
A6B6C43D54 |
-231.62 |
6.75 |
-8.06 |
-0.27 |
0 |
|
|
111938 |
50387442 |
1 |
O4N5C36H43 |
A4B5C36D43 |
-139.39 |
6.84 |
-8.5 |
-0.45 |
0 |
|
|
111939 |
50387517 |
1 |
ClO5N6C36H49 |
AB5C6D36E49 |
-237.8 |
7.65 |
-9.06 |
-0.58 |
0 |
|
|
111940 |
50387590 |
1 |
O5N6C38H52 |
A5B6C38D52 |
-222.54 |
4.64 |
-8.79 |
-0.13 |
0 |
|
|
111941 |
50387610 |
1 |
FO4N5C34H38 |
AB4C5D34E38 |
-174.43 |
6.32 |
-8.83 |
-0.56 |
0 |
|
|
111942 |
50387735 |
1 |
O5N6C35H48 |
A5B6C35D48 |
-231.84 |
7.84 |
-8.65 |
-0.32 |
0 |
|
|
111943 |
50387790 |
1 |
FO5N6C39H47 |
AB5C6D39E47 |
-228.29 |
4.61 |
-8.38 |
-0.68 |
0 |
|
|
111944 |
50387791 |
1 |
FO5N6C39H47 |
AB5C6D39E47 |
-228.23 |
6.4 |
-8.45 |
-0.68 |
0 |
|
|
111945 |
50387792 |
2 |
N3O3C20H25 |
A3B3C20D25 |
-220.14 |
6.59 |
-8.46 |
-0.53 |
0 |
|
|
111946 |
50387793 |
2 |
N3O3C20H25 |
A3B3C20D25 |
-220.28 |
8.56 |
-8.11 |
-0.46 |
0 |
|
|
111947 |
50387794 |
1 |
ClO5N6C39H47 |
AB5C6D39E47 |
-187.69 |
3.69 |
-8.36 |
-0.63 |
0 |
|
|
111948 |
50387883 |
1 |
ClN6O6C40H47 |
AB6C6D40E47 |
-220.13 |
1.69 |
-8.61 |
-0.36 |
0 |
|
|
111949 |
50387919 |
1 |
FO5N6C39H47 |
AB5C6D39E47 |
-237.46 |
9.84 |
-8.43 |
-0.72 |
0 |
|
|
111950 |
50388219 |
1 |
F2O5N6C39H46 |
A2B5C6D39E46 |
-273.07 |
5.02 |
-8.84 |
-0.58 |
0 |
|
|
111951 |
50388223 |
1 |
O5N6C37H52 |
A5B6C37D52 |
-221.45 |
7.31 |
-8.73 |
-0.36 |
0 |
|
|
111952 |
50388259 |
1 |
F2O4N5C34H37 |
A2B4C5D34E37 |
-220.35 |
10.1 |
-8.83 |
-0.8 |
0 |
|
|
111953 |
50388271 |
1 |
FO4N5C32H42 |
AB4C5D32E42 |
-226.39 |
7.04 |
-8.69 |
-0.52 |
0 |
|
|
111954 |
50388604 |
1 |
ClO5N6C37H51 |
AB5C6D37E51 |
-239.67 |
11.25 |
-9.05 |
-0.39 |
0 |
|
|
111955 |
50388701 |
1 |
ClF3O3N4C31H38 |
AB3C3D4E31F38 |
-298.23 |
3.59 |
-8.87 |
-1.02 |
0 |
|
|
111956 |
50388726 |
2 |
N3O3C18H25 |
A3B3C18D25 |
-259.93 |
10.98 |
-8.32 |
-0.3 |
0 |
|
|
111957 |
50388730 |
1 |
FN6O6C40H49 |
AB6C6D40E49 |
-264.52 |
4.7 |
-8.22 |
-0.52 |
0 |
|
|
111958 |
50388768 |
1 |
FO5N6C43H53 |
AB5C6D43E53 |
-245.55 |
11.43 |
-8.82 |
-0.42 |
0 |
|
|
111959 |
50388882 |
1 |
O4N5C37H51 |
A4B5C37D51 |
-187.23 |
5.15 |
-8.76 |
-0.45 |
0 |
|
|
111960 |
50388883 |
1 |
O4N5C34H47 |
A4B5C34D47 |
-181.97 |
1.69 |
-9.08 |
-0.37 |
0 |
|
|
111961 |
50388884 |
1 |
O4N5C35H49 |
A4B5C35D49 |
-185.08 |
6.28 |
-8.92 |
-0.2 |
0 |
|
|
111962 |
50388885 |
1 |
O4N5C35H47 |
A4B5C35D47 |
-170.91 |
3.42 |
-9.15 |
-0.28 |
0 |
|
|
111963 |
50388929 |
1 |
F2O4N5C34H37 |
A2B4C5D34E37 |
-215.59 |
2.08 |
-8.89 |
-0.68 |
0 |