List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
198895 |
79169284 |
1 |
ClNO2C9H12 |
ABC2D9E12 |
-69.07 |
3.05 |
-8.96 |
-0.44 |
0 |
|
|
198896 |
79169305 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-84.73 |
1.41 |
-9.3 |
-0.16 |
0 |
|
|
198897 |
79169466 |
1 |
BrNOC12H16 |
ABCD12E16 |
-18.71 |
3.8 |
-8.83 |
-0.59 |
0 |
|
|
198898 |
79169556 |
1 |
N3O4C13H13 |
A3B4C13D13 |
-89.01 |
8.36 |
-9.65 |
-1.52 |
0 |
|
|
198899 |
79169557 |
2 |
NO2C7H9 |
AB2C7D9 |
-129.04 |
13.22 |
-9.18 |
-0.97 |
0 |
|
|
198900 |
79169869 |
1 |
ClON2C11H13 |
ABC2D11E13 |
-4.65 |
2.27 |
-9.23 |
-0.57 |
0 |
|
|
198901 |
79169870 |
1 |
ClON2C14H15 |
ABC2D14E15 |
0.76 |
4.36 |
-9.13 |
-0.53 |
0 |
|
|
198902 |
79169871 |
1 |
BrNOC15H24 |
ABCD15E24 |
-54.55 |
3.98 |
-8.81 |
-0.56 |
0 |
|
|
198903 |
79169983 |
1 |
N3O4C12H21 |
A3B4C12D21 |
-180.04 |
5.49 |
-9.13 |
0.15 |
0 |
|
|
198904 |
79170010 |
1 |
N2O3C15H26 |
A2B3C15D26 |
-145.16 |
8.66 |
-9.17 |
1.1 |
0 |
|
|
198905 |
79170405 |
1 |
ON3C15H31 |
AB3C15D31 |
-6.85 |
2.17 |
-8.37 |
2.62 |
0 |
|
|
198906 |
79170900 |
1 |
N3C14H27 |
A3B14C27 |
50.98 |
1.44 |
-8.1 |
2.6 |
0 |
|
|
198907 |
79170901 |
1 |
N3C17H33 |
A3B17C33 |
28.63 |
1.84 |
-8.37 |
2.54 |
0 |
|
|
198908 |
79170902 |
1 |
OSN3C14H21 |
ABC3D14E21 |
32.84 |
7.61 |
-8.53 |
-0.41 |
0 |
|
|
198909 |
79170903 |
1 |
SN4C15H26 |
AB4C15D26 |
71.23 |
4.85 |
-8.18 |
0.19 |
0 |
|
|
198910 |
79170904 |
1 |
ON3C16H29 |
AB3C16D29 |
-76.78 |
5.1 |
-8.64 |
1.02 |
0 |
|
|
198911 |
79170905 |
1 |
OSN3C13H21 |
ABC3D13E21 |
30.23 |
3.83 |
-8.28 |
0.02 |
0 |
|
|
198912 |
79170906 |
1 |
SN4C15H26 |
AB4C15D26 |
71.01 |
4.23 |
-8.18 |
0.19 |
0 |
|
|
198913 |
79170907 |
2 |
NOC7H12 |
ABC7D12 |
-78.99 |
4.83 |
-8.48 |
0.61 |
0 |
|
|
198914 |
79170908 |
1 |
ON4C10H20 |
AB4C10D20 |
-31.06 |
4.7 |
-8.78 |
1.0 |
0 |
|
|
198915 |
79171033 |
1 |
ON3C15H25 |
AB3C15D25 |
33.4 |
3.66 |
-8.53 |
0.7 |
0 |
|
|
198916 |
79171349 |
1 |
ClOSN2C12H17 |
ABCD2E12F17 |
-27.06 |
2.22 |
-8.37 |
-0.22 |
0 |
|
|
198917 |
79171350 |
1 |
ON3C12H25 |
AB3C12D25 |
-52.01 |
2.42 |
-8.64 |
2.27 |
0 |
|
|
198918 |
79171393 |
1 |
ON3C14H23 |
AB3C14D23 |
-17.06 |
1.79 |
-7.59 |
0.49 |
0 |
|
|
198919 |
79172207 |
1 |
OSN3C10H21 |
ABC3D10E21 |
-36.0 |
3.39 |
-8.62 |
-0.22 |
0 |
|
|
198920 |
79172210 |
1 |
OSN3C12H23 |
ABC3D12E23 |
-42.54 |
5.44 |
-8.65 |
-0.28 |
0 |
|
|
198921 |
79172379 |
1 |
ClON2C13H19 |
ABC2D13E19 |
-37.3 |
4.83 |
-8.24 |
0.3 |
0 |
|
|
198922 |
79172471 |
1 |
ON2C15H24 |
AB2C15D24 |
-37.72 |
3.18 |
-8.03 |
0.54 |
0 |
|
|
198923 |
79172472 |
1 |
N2O3C11H22 |
A2B3C11D22 |
-126.06 |
2.83 |
-8.71 |
1.76 |
0 |
|
|
198924 |
79172473 |
1 |
SN2O3C11H22 |
AB2C3D11E22 |
-135.79 |
8.33 |
-8.77 |
1.06 |
0 |
|
|
198925 |
79172474 |
1 |
ON4C12H22 |
AB4C12D22 |
-15.41 |
7.32 |
-9.01 |
1.05 |
0 |
|
|
198926 |
79173006 |
1 |
N3O4C12H15 |
A3B4C12D15 |
-86.51 |
9.86 |
-9.57 |
-1.25 |
0 |
|
|
198927 |
79173083 |
1 |
NOCl2C11H11 |
ABC2D11E11 |
5.96 |
3.94 |
-9.32 |
-0.4 |
0 |
|
|
198928 |
79174361 |
1 |
N3C16H31 |
A3B16C31 |
34.72 |
2.51 |
-8.23 |
2.57 |
0 |
|
|
198929 |
79174389 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-90.85 |
5.04 |
-8.85 |
-1.2 |
0 |
|
|
198930 |
79174402 |
1 |
ON2C13H24 |
AB2C13D24 |
1.94 |
4.17 |
-8.68 |
0.82 |
0 |
|
|
198931 |
79174403 |
1 |
F2N3C15H21 |
A2B3C15D21 |
-63.15 |
1.61 |
-8.08 |
-0.12 |
0 |
|
|
198932 |
79174404 |
1 |
ON3C16H29 |
AB3C16D29 |
-64.81 |
3.42 |
-8.92 |
1.36 |
0 |
|
|
198933 |
79174405 |
1 |
ON3C14H21 |
AB3C14D21 |
-14.25 |
1.64 |
-8.26 |
0.18 |
0 |
|
|
198934 |
79174578 |
1 |
N4H12C13 |
A4B12C13 |
80.36 |
2.25 |
-9.73 |
-0.98 |
0 |
|
|
198935 |
79174579 |
1 |
ClFNO3H9C13 |
ABCD3E9F13 |
-50.72 |
3.2 |
-9.24 |
-1.84 |
0 |
|
|
198936 |
79174580 |
1 |
ClO2N3C12H12 |
AB2C3D12E12 |
34.83 |
1.56 |
-9.3 |
-1.79 |
0 |
|
|
198937 |
79175146 |
1 |
N3C14H27 |
A3B14C27 |
-11.92 |
3.91 |
-8.18 |
2.68 |
0 |
|
|
198938 |
79175206 |
2 |
N2C8H13 |
A2B8C13 |
83.1 |
3.34 |
-8.27 |
-0.05 |
0 |
|
|
198939 |
79175309 |
1 |
BrN3C14H20 |
AB3C14D20 |
17.96 |
3.4 |
-8.09 |
0.27 |
0 |
|
|
198940 |
79175499 |
1 |
N3C14H29 |
A3B14C29 |
32.11 |
2.6 |
-8.41 |
2.61 |
0 |
|
|
198941 |
79176136 |
1 |
N4C15H24 |
A4B15C24 |
16.44 |
2.12 |
-7.97 |
0.13 |
0 |
|
|
198942 |
79176137 |
2 |
N2C6H11 |
A2B6C11 |
12.63 |
1.56 |
-7.75 |
0.34 |
0 |
|
|
198943 |
79176372 |
1 |
OSN2C8H12 |
ABC2D8E12 |
-28.14 |
4.92 |
-8.36 |
-0.28 |
0 |
|
|
198944 |
79176373 |
1 |
SN2O2C10H14 |
AB2C2D10E14 |
-71.31 |
5.31 |
-8.34 |
-0.25 |
0 |