List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
362789 |
127309337 |
1 |
SO3N4C18H28 |
AB3C4D18E28 |
-123.35 |
1.96 |
-9.47 |
-0.62 |
0 |
|
|
362790 |
127309338 |
2 |
ON2C9H16 |
AB2C9D16 |
-119.69 |
2.55 |
-8.78 |
1.04 |
0 |
|
|
362791 |
127309339 |
1 |
N3O3C18H31 |
A3B3C18D31 |
-179.26 |
0.81 |
-9.52 |
0.92 |
0 |
|
|
362792 |
127309340 |
1 |
O2N5C20H33 |
A2B5C20D33 |
-90.01 |
3.3 |
-9.08 |
0.75 |
0 |
|
|
362793 |
127309341 |
1 |
ON5C20H27 |
AB5C20D27 |
12.29 |
3.96 |
-9.33 |
0.12 |
0 |
|
|
362794 |
127309342 |
2 |
NOC11H16 |
ABC11D16 |
-105.8 |
2.26 |
-9.23 |
0.28 |
0 |
|
|
362795 |
127309349 |
1 |
O3N4C19H34 |
A3B4C19D34 |
-159.86 |
5.9 |
-9.16 |
1.17 |
0 |
|
|
362796 |
127309350 |
1 |
O3N6C18H32 |
A3B6C18D32 |
-87.22 |
3.08 |
-8.8 |
-0.28 |
0 |
|
|
362797 |
127309351 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-71.78 |
2.3 |
-9.26 |
0.76 |
0 |
|
|
362798 |
127309352 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-47.28 |
6.22 |
-9.43 |
0.71 |
0 |
|
|
362799 |
127309353 |
2 |
NOC8H13 |
ABC8D13 |
-112.81 |
2.98 |
-9.61 |
1.13 |
0 |
|
|
362800 |
127309354 |
1 |
ON4C18H28 |
AB4C18D28 |
-21.81 |
5.6 |
-8.91 |
0.88 |
0 |
|
|
362801 |
127309355 |
1 |
O2N5C18H29 |
A2B5C18D29 |
-33.09 |
2.31 |
-9.2 |
-0.38 |
0 |
|
|
362802 |
127309356 |
1 |
SO3N4C17H26 |
AB3C4D17E26 |
-115.09 |
1.64 |
-9.36 |
-0.46 |
0 |
|
|
362803 |
127309357 |
1 |
O2N4C17H30 |
A2B4C17D30 |
-113.81 |
1.67 |
-8.79 |
1.04 |
0 |
|
|
362804 |
127309358 |
1 |
N3O3C17H29 |
A3B3C17D29 |
-173.08 |
1.41 |
-9.55 |
0.96 |
0 |
|
|
362805 |
127309359 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-83.6 |
2.69 |
-9.09 |
0.75 |
0 |
|
|
362806 |
127309360 |
1 |
O3N4C20H34 |
A3B4C20D34 |
-173.76 |
3.25 |
-9.23 |
0.86 |
0 |
|
|
362807 |
127309361 |
1 |
O3N6C14H20 |
A3B6C14D20 |
-28.08 |
1.41 |
-9.52 |
-0.44 |
0 |
|
|
362808 |
127309362 |
1 |
O3N7C15H23 |
A3B7C15D23 |
-13.4 |
4.01 |
-9.17 |
-0.5 |
0 |
|
|
362809 |
127309363 |
2 |
ON2C7H13 |
AB2C7D13 |
-112.08 |
5.11 |
-8.85 |
0.69 |
0 |
|
|
362810 |
127309364 |
2 |
ON2C10H14 |
AB2C10D14 |
-75.65 |
3.84 |
-8.92 |
0.43 |
0 |
|
|
362811 |
127309365 |
1 |
O3N4C14H26 |
A3B4C14D26 |
-142.47 |
5.19 |
-8.94 |
0.57 |
0 |
|
|
362812 |
127309366 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-80.95 |
2.24 |
-9.11 |
0.4 |
0 |
|
|
362813 |
127309367 |
1 |
SO3N4C16H24 |
AB3C4D16E24 |
-118.75 |
1.21 |
-9.38 |
-0.47 |
0 |
|
|
362814 |
127309368 |
2 |
ON2C8H14 |
AB2C8D14 |
-115.85 |
1.67 |
-8.8 |
1.11 |
0 |
|
|
362815 |
127309369 |
1 |
O3N5C17H27 |
A3B5C17D27 |
-113.01 |
3.05 |
-9.4 |
0.64 |
0 |
|
|
362816 |
127309370 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-47.69 |
3.36 |
-8.83 |
-0.03 |
0 |
|
|
362817 |
127309371 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-6.67 |
8.57 |
-9.02 |
-0.23 |
0 |
|
|
362818 |
127309613 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-127.54 |
3.4 |
-9.51 |
1.22 |
0 |
|
|
362819 |
127309614 |
1 |
O2N5C17H29 |
A2B5C17D29 |
-53.62 |
4.45 |
-9.24 |
-0.28 |
0 |
|
|
362820 |
127309615 |
1 |
ClO2N4C18H23 |
AB2C4D18E23 |
-66.18 |
5.31 |
-8.94 |
-0.12 |
0 |
|
|
362821 |
127309616 |
1 |
ClN3O3C18H22 |
AB3C3D18E22 |
-39.04 |
5.31 |
-8.94 |
-0.25 |
0 |
|
|
362822 |
127309651 |
1 |
N3O3C16H31 |
A3B3C16D31 |
-153.37 |
3.66 |
-8.82 |
0.98 |
0 |
|
|
362823 |
127309652 |
1 |
SO3N4C19H30 |
AB3C4D19E30 |
-104.3 |
1.11 |
-8.77 |
-0.63 |
0 |
|
|
362824 |
127309653 |
1 |
O3N4C20H36 |
A3B4C20D36 |
-156.37 |
5.66 |
-8.85 |
0.86 |
0 |
|
|
362825 |
127309654 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-84.47 |
4.29 |
-8.89 |
0.2 |
0 |
|
|
362826 |
127309655 |
1 |
O3N4C18H34 |
A3B4C18D34 |
-154.91 |
6.3 |
-8.92 |
0.88 |
0 |
|
|
362827 |
127309656 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-122.93 |
4.1 |
-8.78 |
0.0 |
0 |
|
|
362828 |
127309657 |
1 |
N3O3C15H29 |
A3B3C15D29 |
-149.3 |
3.66 |
-8.81 |
0.99 |
0 |
|
|
362829 |
127309658 |
2 |
N2O2C9H16 |
A2B2C9D16 |
-179.32 |
2.13 |
-8.84 |
0.7 |
0 |
|
|
362830 |
127309659 |
1 |
SN4O4C14H28 |
AB4C4D14E28 |
-175.58 |
6.16 |
-8.82 |
0.28 |
0 |
|
|
362831 |
127309660 |
1 |
O2N5C17H29 |
A2B5C17D29 |
-72.77 |
3.57 |
-8.87 |
0.71 |
0 |
|
|
362832 |
127309661 |
1 |
SO2N4C18H30 |
AB2C4D18E30 |
-80.25 |
4.03 |
-8.83 |
-0.27 |
0 |
|
|
362833 |
127309662 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-152.33 |
3.43 |
-8.83 |
1.06 |
0 |
|
|
362834 |
127309663 |
1 |
N3O3C15H29 |
A3B3C15D29 |
-147.42 |
3.69 |
-8.84 |
0.98 |
0 |
|
|
362835 |
127309664 |
2 |
N2O2C10H15 |
A2B2C10D15 |
-152.36 |
6.01 |
-8.87 |
-0.33 |
0 |
|
|
362836 |
127309665 |
1 |
N3O3C16H31 |
A3B3C16D31 |
-154.44 |
2.98 |
-8.88 |
1.03 |
0 |
|
|
362837 |
127309666 |
1 |
O3N5C19H29 |
A3B5C19D29 |
-92.57 |
3.01 |
-8.84 |
-0.67 |
0 |
|
|
362838 |
127309667 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-146.06 |
2.62 |
-8.56 |
0.26 |
0 |
|
|
362839 |
127309668 |
1 |
FN3O3C19H28 |
AB3C3D19E28 |
-154.95 |
4.27 |
-8.89 |
-0.12 |
0 |
|
|
362840 |
127309669 |
1 |
F2N3O3C19H27 |
A2B3C3D19E27 |
-199.78 |
5.9 |
-8.91 |
-0.34 |
0 |
|
|
362841 |
127309670 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-137.54 |
4.0 |
-8.62 |
0.07 |
0 |
|
|
362842 |
127309671 |
1 |
O2N5C18H31 |
A2B5C18D31 |
-63.63 |
1.12 |
-8.87 |
0.77 |
0 |
|
|
362843 |
127309672 |
1 |
O2N5C20H29 |
A2B5C20D29 |
-27.92 |
1.13 |
-8.84 |
-0.62 |
0 |
|
|
362844 |
127309673 |
1 |
ClO2N5C18H28 |
AB2C5D18E28 |
-60.98 |
5.01 |
-8.7 |
-0.33 |
0 |
|
|
362845 |
127309674 |
1 |
ClN3O3C19H28 |
AB3C3D19E28 |
-117.11 |
5.32 |
-8.9 |
-0.19 |
0 |
|
|
362846 |
127309675 |
1 |
O3N4C21H32 |
A3B4C21D32 |
-117.4 |
1.4 |
-8.9 |
-0.11 |
0 |
|
|
362847 |
127309676 |
2 |
ON2C10H16 |
AB2C10D16 |
-73.78 |
4.77 |
-8.81 |
-0.35 |
0 |
|
|
362848 |
127309677 |
1 |
FO2N5C20H28 |
AB2C5D20E28 |
-80.53 |
2.52 |
-8.88 |
-0.73 |
0 |
|
|
362849 |
127309678 |
1 |
FN3O3C19H28 |
AB3C3D19E28 |
-155.13 |
5.04 |
-8.88 |
-0.09 |
0 |
|
|
362850 |
127309679 |
1 |
O2N6C17H28 |
A2B6C17D28 |
-42.72 |
3.48 |
-8.88 |
-0.53 |
0 |
|
|
362851 |
127309680 |
1 |
O2N6C19H28 |
A2B6C19D28 |
-23.35 |
1.08 |
-8.9 |
-0.82 |
0 |
|
|
362852 |
127309681 |
1 |
SO2N4C20H28 |
AB2C4D20E28 |
-48.92 |
4.46 |
-8.84 |
-0.48 |
0 |
|
|
362853 |
127309682 |
1 |
O2N4C23H34 |
A2B4C23D34 |
-76.1 |
4.18 |
-8.24 |
0.22 |
0 |
|
|
362854 |
127309683 |
1 |
N3O3C15H29 |
A3B3C15D29 |
-148.12 |
3.65 |
-8.81 |
1.11 |
0 |
|
|
362855 |
127309684 |
1 |
ClN3O3C19H28 |
AB3C3D19E28 |
-117.78 |
4.48 |
-8.85 |
-0.13 |
0 |
|
|
362856 |
127309685 |
2 |
N2O2C7H13 |
A2B2C7D13 |
-174.51 |
7.06 |
-8.96 |
0.68 |
0 |
|
|
362857 |
127309686 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-112.19 |
3.82 |
-8.49 |
0.22 |
0 |
|
|
362858 |
127309687 |
1 |
O2N5C17H29 |
A2B5C17D29 |
-55.35 |
2.41 |
-8.77 |
0.86 |
0 |
|
|
362859 |
127309688 |
1 |
FO3N4C20H29 |
AB3C4D20E29 |
-152.39 |
2.67 |
-8.76 |
-0.59 |
0 |
|
|
362860 |
127309689 |
1 |
O2N5C17H29 |
A2B5C17D29 |
-72.39 |
4.41 |
-8.85 |
0.57 |
0 |
|
|
362861 |
127309690 |
1 |
O3N4C19H34 |
A3B4C19D34 |
-153.7 |
4.25 |
-8.91 |
0.98 |
0 |
|
|
362862 |
127309691 |
3 |
NOC6H9 |
ABC6D9 |
-118.99 |
3.95 |
-8.91 |
-0.06 |
0 |
|
|
362863 |
127309692 |
1 |
SN4O4C15H30 |
AB4C4D15E30 |
-183.83 |
3.42 |
-8.75 |
0.33 |
0 |
|
|
362864 |
127309693 |
1 |
SO3N4C18H28 |
AB3C4D18E28 |
-101.03 |
6.4 |
-8.96 |
-0.74 |
0 |
|
|
362865 |
127309694 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-146.49 |
4.61 |
-8.52 |
0.27 |
0 |
|
|
362866 |
127309695 |
1 |
O2N6C19H28 |
A2B6C19D28 |
-25.04 |
3.01 |
-8.96 |
-0.9 |
0 |
|
|
362867 |
127309696 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-106.29 |
3.72 |
-8.84 |
0.04 |
0 |
|
|
362868 |
127309697 |
2 |
N2O2C10H15 |
A2B2C10D15 |
-152.39 |
5.53 |
-9.11 |
-0.42 |
0 |
|
|
362869 |
127309698 |
3 |
NOC6H9 |
ABC6D9 |
-120.9 |
3.33 |
-8.94 |
0.01 |
0 |
|
|
362870 |
127309699 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-106.98 |
3.98 |
-8.2 |
0.06 |
0 |
|
|
362871 |
127309700 |
1 |
N3O3C15H29 |
A3B3C15D29 |
-150.87 |
3.4 |
-8.85 |
1.0 |
0 |
|
|
362872 |
127309701 |
1 |
O3N4C13H24 |
A3B4C13D24 |
-134.63 |
3.24 |
-9.0 |
0.6 |
0 |
|
|
362873 |
127309702 |
1 |
O2N5C21H31 |
A2B5C21D31 |
-60.3 |
4.44 |
-8.52 |
0.08 |
0 |
|
|
362874 |
127309703 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-95.96 |
6.95 |
-9.02 |
0.35 |
0 |
|
|
362875 |
127309704 |
1 |
ClFN3O3C19H27 |
ABC3D3E19F27 |
-164.64 |
5.73 |
-9.01 |
-0.39 |
0 |
|
|
362876 |
127309705 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-116.49 |
3.56 |
-8.85 |
0.08 |
0 |
|
|
362877 |
127309706 |
2 |
ON2C10H16 |
AB2C10D16 |
-85.51 |
3.09 |
-8.72 |
-0.24 |
0 |
|
|
362878 |
127309707 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-146.98 |
3.52 |
-9.28 |
-0.12 |
0 |
|
|
362879 |
127309708 |
1 |
ClO2N3C21H22 |
AB2C3D21E22 |
-47.95 |
3.6 |
-8.98 |
-0.32 |
0 |
|
|
362880 |
127309709 |
1 |
ClO2N4C20H27 |
AB2C4D20E27 |
-75.43 |
5.09 |
-8.89 |
-0.34 |
0 |
|
|
362881 |
127309710 |
1 |
ClN3O3C18H22 |
AB3C3D18E22 |
-108.15 |
3.57 |
-9.06 |
-0.43 |
0 |
|
|
362882 |
127309711 |
1 |
ClO2N4C20H27 |
AB2C4D20E27 |
-77.86 |
2.72 |
-9.01 |
-0.42 |
0 |
|
|
362883 |
127309712 |
1 |
ClO2N4C18H23 |
AB2C4D18E23 |
-46.19 |
3.0 |
-8.84 |
-0.43 |
0 |
|
|
362884 |
127309713 |
1 |
ClO2N4C19H25 |
AB2C4D19E25 |
-72.34 |
4.02 |
-8.89 |
-0.38 |
0 |
|
|
362885 |
127309714 |
1 |
ClO2N4C20H27 |
AB2C4D20E27 |
-77.68 |
4.01 |
-8.97 |
-0.35 |
0 |
|
|
362886 |
127309715 |
1 |
ClN3O3C20H20 |
AB3C3D20E20 |
-90.42 |
2.13 |
-9.07 |
-0.44 |
0 |
|
|
362887 |
127309716 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-90.08 |
3.16 |
-9.04 |
0.47 |
0 |
|
|
362888 |
127309717 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-72.21 |
3.53 |
-9.12 |
0.38 |
0 |