List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
253900 |
103121397 |
1 |
O2N5C14H17 |
A2B5C14D17 |
43.29 |
3.43 |
-9.08 |
-0.83 |
0 |
|
|
253901 |
103121398 |
1 |
O4N5C12H19 |
A4B5C12D19 |
-124.84 |
6.03 |
-9.76 |
-0.69 |
0 |
|
|
253902 |
103121401 |
1 |
ClSO2N4H11C13 |
ABC2D4E11F13 |
4.24 |
6.99 |
-9.21 |
-1.4 |
0 |
|
|
253903 |
103121404 |
1 |
O3N6C11H16 |
A3B6C11D16 |
-16.94 |
5.19 |
-10.56 |
-1.04 |
0 |
|
|
253904 |
103121421 |
1 |
O2N6C11H14 |
A2B6C11D14 |
32.77 |
2.16 |
-9.04 |
-1.25 |
0 |
|
|
253905 |
103121422 |
1 |
O2N5C9H15 |
A2B5C9D15 |
-4.26 |
5.11 |
-8.69 |
0.1 |
0 |
|
|
253906 |
103121433 |
1 |
SN4O4C8H14 |
AB4C4D8E14 |
-121.98 |
7.69 |
-10.14 |
-0.38 |
0 |
|
|
253907 |
103121449 |
2 |
ON2C5H8 |
AB2C5D8 |
-47.17 |
6.02 |
-10.36 |
-0.62 |
0 |
|
|
253908 |
103121453 |
1 |
O2N5C12H15 |
A2B5C12D15 |
11.51 |
3.01 |
-9.04 |
-0.93 |
0 |
|
|
253909 |
103121459 |
1 |
O2N5C13H17 |
A2B5C13D17 |
5.65 |
4.77 |
-8.91 |
-0.62 |
0 |
|
|
253910 |
103121466 |
1 |
O2N5C12H15 |
A2B5C12D15 |
10.41 |
4.85 |
-8.91 |
-0.61 |
0 |
|
|
253911 |
103121470 |
1 |
O2N6C11H14 |
A2B6C11D14 |
25.99 |
2.01 |
-9.31 |
-1.18 |
0 |
|
|
253912 |
103121473 |
1 |
O3N5C9H11 |
A3B5C9D11 |
-11.99 |
3.96 |
-10.44 |
-0.86 |
0 |
|
|
253913 |
103121476 |
1 |
O2N5C13H17 |
A2B5C13D17 |
1.83 |
2.4 |
-9.12 |
-0.81 |
0 |
|
|
253914 |
103121477 |
1 |
O3N5C7H11 |
A3B5C7D11 |
-77.34 |
3.71 |
-10.5 |
-0.86 |
0 |
|
|
253915 |
103121478 |
2 |
ON3C6H8 |
AB3C6D8 |
16.47 |
2.59 |
-9.24 |
-1.17 |
0 |
|
|
253916 |
103121485 |
1 |
O2N6C9H10 |
A2B6C9D10 |
19.39 |
6.92 |
-10.17 |
-1.15 |
0 |
|
|
253917 |
103121488 |
2 |
ON2C6H7 |
AB2C6D7 |
-11.03 |
6.81 |
-10.03 |
-0.79 |
0 |
|
|
253918 |
103121500 |
1 |
N4O4C13H16 |
A4B4C13D16 |
-79.34 |
4.27 |
-8.76 |
-0.71 |
0 |
|
|
253919 |
103121512 |
1 |
O2N5C9H17 |
A2B5C9D17 |
-36.31 |
7.18 |
-9.12 |
-0.55 |
0 |
|
|
253920 |
103121517 |
2 |
ON3C6H10 |
AB3C6D10 |
-0.89 |
4.9 |
-8.79 |
0.07 |
0 |
|
|
253921 |
103121528 |
1 |
O3N4C8H14 |
A3B4C8D14 |
-80.98 |
4.08 |
-10.26 |
-0.76 |
0 |
|
|
253922 |
103121532 |
1 |
O3N5C12H13 |
A3B5C12D13 |
-46.3 |
8.61 |
-10.37 |
-0.92 |
0 |
|
|
253923 |
103121536 |
2 |
ON3C6H10 |
AB3C6D10 |
-9.86 |
6.39 |
-8.73 |
0.08 |
0 |
|
|
253924 |
103121537 |
1 |
O3N5C13H21 |
A3B5C13D21 |
-100.67 |
6.78 |
-10.1 |
-0.7 |
0 |
|
|
253925 |
103121569 |
1 |
O2N5C13H17 |
A2B5C13D17 |
10.13 |
2.23 |
-9.18 |
-0.86 |
0 |
|
|
253926 |
103121594 |
1 |
O3N4C10H12 |
A3B4C10D12 |
-43.42 |
7.0 |
-9.6 |
-0.66 |
0 |
|
|
253927 |
103121599 |
1 |
O3N5C13H15 |
A3B5C13D15 |
-12.43 |
5.97 |
-9.02 |
-1.1 |
0 |
|
|
253928 |
103121613 |
1 |
F3O3N4C7H9 |
A3B3C4D7E9 |
-238.97 |
5.6 |
-10.79 |
-0.94 |
0 |
|
|
253929 |
103121647 |
1 |
SO3N5C12H15 |
AB3C5D12E15 |
-47.44 |
5.59 |
-9.48 |
-0.71 |
0 |
|
|
253930 |
103121650 |
2 |
ON2C3H5 |
AB2C3D5 |
-36.78 |
5.78 |
-10.31 |
-0.68 |
0 |
|
|
253931 |
103121655 |
1 |
SO2N5C10H13 |
AB2C5D10E13 |
-2.36 |
6.22 |
-9.67 |
-0.83 |
0 |
|
|
253932 |
103121665 |
1 |
O3N5C12H21 |
A3B5C12D21 |
-96.24 |
8.91 |
-9.62 |
-0.59 |
0 |
|
|
253933 |
103121667 |
1 |
SN4O4C8H12 |
AB4C4D8E12 |
-115.28 |
4.64 |
-10.72 |
-1.01 |
0 |
|
|
253934 |
103121669 |
1 |
O4N5C11H11 |
A4B5C11D11 |
-8.4 |
5.62 |
-10.73 |
-1.76 |
0 |
|
|
253935 |
103121670 |
1 |
O2F3N4H11C12 |
A2B3C4D11E12 |
-163.97 |
6.83 |
-10.44 |
-0.9 |
0 |
|
|
253936 |
103121672 |
1 |
SO3N4C12H14 |
AB3C4D12E14 |
-56.15 |
10.95 |
-9.02 |
-0.51 |
0 |
|
|
253937 |
103121687 |
1 |
SO3N6C11H14 |
AB3C6D11E14 |
-28.25 |
3.48 |
-9.59 |
-1.39 |
0 |
|
|
253938 |
103121691 |
1 |
O3N5C12H21 |
A3B5C12D21 |
-98.09 |
5.82 |
-10.07 |
-0.88 |
0 |
|
|
253939 |
103121701 |
2 |
ON2C6H10 |
AB2C6D10 |
-61.82 |
6.34 |
-10.31 |
-0.57 |
0 |
|
|
253940 |
103121702 |
1 |
BrO3N4C13H13 |
AB3C4D13E13 |
-41.66 |
5.22 |
-9.36 |
-0.69 |
0 |
|
|
253941 |
103121716 |
1 |
ClFO2N4H10C11 |
ABC2D4E10F11 |
-60.1 |
5.34 |
-10.12 |
-1.01 |
0 |
|
|
253942 |
103121741 |
1 |
SO3N4C12H16 |
AB3C4D12E16 |
-68.46 |
5.92 |
-9.03 |
-0.64 |
0 |
|
|
253943 |
103121742 |
1 |
O3N7C11H13 |
A3B7C11D13 |
-11.99 |
6.96 |
-9.51 |
-0.69 |
0 |
|
|
253944 |
103121748 |
1 |
ON6C13H14 |
AB6C13D14 |
96.08 |
2.74 |
-9.05 |
-1.53 |
0 |
|
|
253945 |
103121756 |
1 |
ON5C14H15 |
AB5C14D15 |
86.85 |
5.95 |
-9.05 |
-0.99 |
0 |
|
|
253946 |
103121760 |
1 |
ON5C10H13 |
AB5C10D13 |
68.94 |
6.15 |
-9.21 |
-0.66 |
0 |
|
|
253947 |
103121767 |
2 |
ON2C7H9 |
AB2C7D9 |
-24.29 |
6.17 |
-9.69 |
-0.59 |
0 |
|
|
253948 |
103121774 |
1 |
O2N5C10H11 |
A2B5C10D11 |
7.03 |
6.36 |
-10.36 |
-0.86 |
0 |
|
|
253949 |
103121782 |
1 |
ON5C7H9 |
AB5C7D9 |
71.96 |
6.82 |
-9.82 |
-0.75 |
0 |
|
|
253950 |
103121785 |
1 |
ON5C12H13 |
AB5C12D13 |
82.58 |
6.35 |
-9.09 |
-1.03 |
0 |
|
|
253951 |
103121786 |
1 |
ON5C8H11 |
AB5C8D11 |
64.89 |
6.67 |
-9.71 |
-0.7 |
0 |
|
|
253952 |
103121794 |
2 |
ON2C5H8 |
AB2C5D8 |
-50.28 |
6.1 |
-10.33 |
-0.56 |
0 |
|
|
253953 |
103121799 |
1 |
ON6C12H14 |
AB6C12D14 |
90.43 |
3.59 |
-9.67 |
-1.6 |
0 |
|
|
253954 |
103121807 |
1 |
ClO4N5H10C11 |
AB4C5D10E11 |
-15.63 |
4.28 |
-10.58 |
-1.99 |
0 |
|
|
253955 |
103121818 |
1 |
ON5C10H13 |
AB5C10D13 |
87.77 |
5.79 |
-9.56 |
-0.6 |
0 |
|
|
253956 |
103121824 |
1 |
ON5C9H13 |
AB5C9D13 |
59.35 |
5.28 |
-9.51 |
-0.52 |
0 |
|
|
253957 |
103121828 |
1 |
ON5C15H19 |
AB5C15D19 |
71.35 |
2.97 |
-8.91 |
-0.8 |
0 |
|
|
253958 |
103121829 |
1 |
O3N4C10H18 |
A3B4C10D18 |
-100.51 |
7.5 |
-9.98 |
-0.41 |
0 |
|
|
253959 |
103121841 |
1 |
ClO3N4C12H13 |
AB3C4D12E13 |
-53.23 |
5.4 |
-9.46 |
-0.86 |
0 |
|
|
253960 |
103121843 |
1 |
O3N4C14H18 |
A3B4C14D18 |
-59.64 |
4.91 |
-8.84 |
-0.8 |
0 |
|
|
253961 |
103121848 |
1 |
SO3N6H10C11 |
AB3C6D10E11 |
-16.0 |
7.33 |
-9.52 |
-1.65 |
0 |
|
|
253962 |
103121854 |
1 |
O3N5C12H21 |
A3B5C12D21 |
-92.43 |
8.72 |
-9.98 |
-0.42 |
0 |
|
|
253963 |
103121857 |
1 |
FSO2N4C12H13 |
ABC2D4E12F13 |
-49.46 |
6.64 |
-9.23 |
-0.87 |
0 |
|
|
253964 |
103121858 |
1 |
ON5C13H19 |
AB5C13D19 |
48.73 |
5.42 |
-9.41 |
-0.5 |
0 |
|
|
253965 |
103121862 |
1 |
SO3N5H11C12 |
AB3C5D11E12 |
25.24 |
7.05 |
-9.69 |
-1.4 |
0 |
|
|
253966 |
103121879 |
1 |
ON5C13H15 |
AB5C13D15 |
86.85 |
5.78 |
-9.02 |
-0.96 |
0 |
|
|
253967 |
103121895 |
1 |
O3N4C10H16 |
A3B4C10D16 |
-86.78 |
7.39 |
-10.09 |
-0.48 |
0 |
|
|
253968 |
103121903 |
1 |
ON6C12H14 |
AB6C12D14 |
89.23 |
3.52 |
-9.54 |
-1.58 |
0 |
|
|
253969 |
103121904 |
1 |
O3N6C10H14 |
A3B6C10D14 |
-16.07 |
7.1 |
-10.36 |
-0.9 |
0 |
|
|
253970 |
103121905 |
1 |
FO3N4C12H13 |
AB3C4D12E13 |
-88.97 |
7.62 |
-9.33 |
-0.67 |
0 |
|
|
253971 |
103121909 |
1 |
ON7C13H15 |
AB7C13D15 |
117.86 |
2.44 |
-8.93 |
-1.49 |
0 |
|
|
253972 |
103121931 |
1 |
O3N5C10H17 |
A3B5C10D17 |
-87.09 |
9.23 |
-10.17 |
-0.56 |
0 |
|
|
253973 |
103121940 |
1 |
SO2N5C9H11 |
AB2C5D9E11 |
-0.77 |
6.92 |
-10.01 |
-1.24 |
0 |
|
|
253974 |
103121941 |
1 |
BrOH4N5C8 |
ABC4D5E8 |
105.2 |
3.25 |
-9.75 |
-1.69 |
0 |