List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
361589 |
127303855 |
2 |
ON3C10H12 |
AB3C10D12 |
53.5 |
5.07 |
-9.84 |
-1.3 |
0 |
|
|
361590 |
127303856 |
1 |
ON5C20H33 |
AB5C20D33 |
-8.76 |
4.9 |
-8.78 |
0.18 |
0 |
|
|
361591 |
127303857 |
1 |
OS2N6C14H18 |
AB2C6D14E18 |
77.57 |
6.75 |
-9.26 |
-1.3 |
0 |
|
|
361592 |
127303858 |
1 |
O2N5C22H33 |
A2B5C22D33 |
-55.5 |
5.07 |
-9.34 |
0.07 |
0 |
|
|
361593 |
127303859 |
1 |
O2N7C19H27 |
A2B7C19D27 |
13.65 |
3.64 |
-9.57 |
0.03 |
0 |
|
|
361594 |
127303860 |
1 |
OSN8C15H22 |
ABC8D15E22 |
93.44 |
8.91 |
-9.43 |
-0.71 |
0 |
|
|
361595 |
127303861 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-62.59 |
7.57 |
-9.4 |
0.29 |
0 |
|
|
361596 |
127303862 |
1 |
ON7C19H21 |
AB7C19D21 |
101.03 |
4.88 |
-9.84 |
-1.36 |
0 |
|
|
361597 |
127303863 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-59.92 |
7.88 |
-9.45 |
0.19 |
0 |
|
|
361598 |
127303864 |
1 |
ON6C20H22 |
AB6C20D22 |
93.86 |
3.96 |
-9.46 |
-0.85 |
0 |
|
|
361599 |
127303865 |
2 |
ON3C10H13 |
AB3C10D13 |
-17.56 |
6.2 |
-9.2 |
-0.19 |
0 |
|
|
361600 |
127303866 |
1 |
FO2N5C21H24 |
AB2C5D21E24 |
-51.01 |
5.65 |
-9.07 |
-0.42 |
0 |
|
|
361601 |
127303867 |
1 |
SO2N5C18H27 |
AB2C5D18E27 |
-35.24 |
7.46 |
-9.0 |
-0.05 |
0 |
|
|
361602 |
127303868 |
1 |
OSN7C18H19 |
ABC7D18E19 |
106.05 |
7.06 |
-9.65 |
-1.79 |
0 |
|
|
361603 |
127303869 |
1 |
ON7C21H27 |
AB7C21D27 |
72.68 |
6.61 |
-9.42 |
-0.84 |
0 |
|
|
361604 |
127303870 |
1 |
SO2N5C19H29 |
AB2C5D19E29 |
-45.52 |
2.87 |
-9.28 |
-0.35 |
0 |
|
|
361605 |
127303871 |
1 |
O3N5C18H27 |
A3B5C18D27 |
-79.97 |
7.51 |
-9.5 |
0.29 |
0 |
|
|
361606 |
127303872 |
1 |
N3O3C16H27 |
A3B3C16D27 |
-139.36 |
4.71 |
-9.05 |
0.67 |
0 |
|
|
361607 |
127303873 |
1 |
O3N4C21H36 |
A3B4C21D36 |
-143.14 |
3.51 |
-8.46 |
0.94 |
0 |
|
|
361608 |
127303874 |
2 |
ON2C11H12 |
AB2C11D12 |
7.74 |
8.44 |
-9.02 |
-1.02 |
0 |
|
|
361609 |
127303875 |
2 |
ON2C8H13 |
AB2C8D13 |
-71.89 |
4.0 |
-9.39 |
0.52 |
0 |
|
|
361610 |
127303876 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-73.73 |
6.81 |
-8.9 |
-0.45 |
0 |
|
|
361611 |
127303877 |
1 |
ON4C23H26 |
AB4C23D26 |
24.73 |
8.98 |
-9.06 |
-0.84 |
0 |
|
|
361612 |
127303878 |
1 |
SO2N4C18H30 |
AB2C4D18E30 |
-76.89 |
9.51 |
-8.34 |
0.21 |
0 |
|
|
361613 |
127303879 |
1 |
ON5C13H23 |
AB5C13D23 |
-13.69 |
10.51 |
-8.65 |
0.18 |
0 |
|
|
361614 |
127303880 |
1 |
SO3N5C15H25 |
AB3C5D15E25 |
-103.42 |
5.61 |
-9.49 |
0.22 |
0 |
|
|
361615 |
127303881 |
1 |
OSN5C20H25 |
ABC5D20E25 |
14.38 |
8.51 |
-8.95 |
-1.12 |
0 |
|
|
361616 |
127303882 |
2 |
ON2C10H15 |
AB2C10D15 |
-78.3 |
7.1 |
-9.43 |
0.36 |
0 |
|
|
361617 |
127303883 |
1 |
SO2N5C19H29 |
AB2C5D19E29 |
-49.56 |
6.77 |
-9.26 |
-0.22 |
0 |
|
|
361618 |
127303884 |
1 |
O2N5C22H31 |
A2B5C22D31 |
-30.62 |
2.81 |
-8.96 |
-0.44 |
0 |
|
|
361619 |
127303885 |
1 |
ON4C24H28 |
AB4C24D28 |
36.1 |
4.7 |
-8.81 |
-0.43 |
0 |
|
|
361620 |
127303886 |
1 |
SO2N5C19H31 |
AB2C5D19E31 |
-69.21 |
8.92 |
-8.73 |
0.13 |
0 |
|
|
361621 |
127303904 |
2 |
ON3C10H14 |
AB3C10D14 |
-49.74 |
7.15 |
-9.16 |
-0.16 |
0 |
|
|
361622 |
127303905 |
1 |
SO2N5C18H29 |
AB2C5D18E29 |
-70.32 |
8.86 |
-9.27 |
-0.33 |
0 |
|
|
361623 |
127303906 |
1 |
SO3N5C16H27 |
AB3C5D16E27 |
-104.57 |
8.06 |
-9.52 |
0.06 |
0 |
|
|
361624 |
127303907 |
1 |
SO2N5C19H31 |
AB2C5D19E31 |
-80.09 |
5.33 |
-8.72 |
0.32 |
0 |
|
|
361625 |
127303915 |
1 |
O2N4C23H32 |
A2B4C23D32 |
-24.63 |
3.35 |
-8.86 |
-0.33 |
0 |
|
|
361626 |
127303916 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-90.15 |
4.28 |
-8.94 |
-0.29 |
0 |
|
|
361627 |
127303917 |
1 |
O3N5C16H21 |
A3B5C16D21 |
-44.1 |
3.17 |
-8.98 |
-0.65 |
0 |
|
|
361628 |
127303918 |
1 |
O3N5C18H29 |
A3B5C18D29 |
-93.48 |
2.7 |
-8.83 |
-0.23 |
0 |
|
|
361629 |
127303919 |
1 |
O3N6C15H22 |
A3B6C15D22 |
-15.15 |
4.46 |
-9.08 |
-0.36 |
0 |
|
|
361630 |
127303920 |
2 |
ON2C11H12 |
AB2C11D12 |
15.82 |
3.64 |
-8.77 |
-0.58 |
0 |
|
|
361631 |
127303921 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-33.25 |
5.89 |
-8.74 |
-0.3 |
0 |
|
|
361632 |
127303926 |
1 |
SO2N6C12H16 |
AB2C6D12E16 |
42.87 |
4.49 |
-8.97 |
-1.38 |
0 |
|
|
361633 |
127303927 |
1 |
O2N5C22H27 |
A2B5C22D27 |
-1.07 |
0.77 |
-8.29 |
-0.38 |
0 |
|
|
361634 |
127303928 |
1 |
O4N5C19H23 |
A4B5C19D23 |
-93.5 |
7.05 |
-8.85 |
-1.03 |
0 |
|
|
361635 |
127303929 |
1 |
O2N6C21H30 |
A2B6C21D30 |
-7.7 |
4.07 |
-8.7 |
-0.26 |
0 |
|
|
361636 |
127303930 |
1 |
O2N7C12H17 |
A2B7C12D17 |
42.66 |
2.59 |
-9.0 |
-0.42 |
0 |
|
|
361637 |
127303931 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-48.92 |
3.33 |
-8.84 |
-0.32 |
0 |
|
|
361638 |
127303932 |
1 |
O3N5C16H25 |
A3B5C16D25 |
-75.96 |
4.19 |
-9.05 |
-0.34 |
0 |
|
|
361639 |
127303933 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-71.14 |
7.65 |
-9.02 |
-0.41 |
0 |
|
|
361640 |
127303972 |
1 |
SN2O2C15H20 |
AB2C2D15E20 |
-69.48 |
4.18 |
-9.26 |
-0.43 |
0 |
|
|
361641 |
127303973 |
1 |
S2N3O4C17H25 |
A2B3C4D17E25 |
-167.11 |
5.78 |
-9.63 |
-0.75 |
0 |
|
|
361642 |
127303974 |
1 |
S2N3O3C11H17 |
A2B3C3D11E17 |
-97.92 |
8.05 |
-9.46 |
-0.62 |
0 |
|
|
361643 |
127303975 |
1 |
ON4C24H32 |
AB4C24D32 |
13.19 |
5.77 |
-9.23 |
0.01 |
0 |
|
|
361644 |
127303976 |
1 |
OSN7C18H19 |
ABC7D18E19 |
108.83 |
10.62 |
-9.51 |
-1.36 |
0 |
|
|
361645 |
127303977 |
1 |
ON4C23H24 |
AB4C23D24 |
56.71 |
5.87 |
-8.71 |
-0.43 |
0 |
|
|
361646 |
127303978 |
1 |
ON5C13H21 |
AB5C13D21 |
14.96 |
3.46 |
-9.2 |
0.16 |
0 |
|
|
361647 |
127303979 |
1 |
ON8C20H26 |
AB8C20D26 |
85.38 |
4.89 |
-8.68 |
-0.06 |
0 |
|
|
361648 |
127303980 |
1 |
OSN5C20H23 |
ABC5D20E23 |
50.79 |
2.77 |
-8.75 |
-0.81 |
0 |
|
|
361649 |
127303981 |
2 |
ON2C10H14 |
AB2C10D14 |
-42.11 |
10.2 |
-9.38 |
-0.08 |
0 |
|
|
361650 |
127303982 |
1 |
ON7C19H23 |
AB7C19D23 |
80.73 |
6.66 |
-9.05 |
-0.57 |
0 |
|
|
361651 |
127303983 |
1 |
OSN4C21H26 |
ABC4D21E26 |
30.43 |
5.16 |
-8.49 |
-0.1 |
0 |
|
|
361652 |
127303984 |
1 |
SO2N5C19H27 |
AB2C5D19E27 |
-16.08 |
9.58 |
-8.78 |
-0.2 |
0 |
|
|
361653 |
127303985 |
1 |
O2N5C22H29 |
A2B5C22D29 |
0.91 |
6.24 |
-8.8 |
-0.02 |
0 |
|
|
361654 |
127303986 |
1 |
ON6C18H24 |
AB6C18D24 |
72.3 |
5.92 |
-9.21 |
0.05 |
0 |
|
|
361655 |
127303987 |
2 |
ON3C10H13 |
AB3C10D13 |
12.46 |
4.48 |
-9.11 |
-0.47 |
0 |
|
|
361656 |
127303988 |
1 |
O2N4C19H22 |
A2B4C19D22 |
5.13 |
6.08 |
-9.4 |
-0.33 |
0 |
|
|
361657 |
127303989 |
1 |
O2F3N5C17H22 |
A2B3C5D17E22 |
-196.8 |
8.02 |
-9.53 |
-0.05 |
0 |
|
|
361658 |
127303990 |
2 |
ON3C10H12 |
AB3C10D12 |
7.14 |
7.16 |
-8.94 |
-0.21 |
0 |
|
|
361659 |
127303991 |
1 |
O2N5C22H27 |
A2B5C22D27 |
-7.18 |
3.88 |
-9.39 |
-0.19 |
0 |
|
|
361660 |
127303992 |
1 |
OSN5C16H21 |
ABC5D16E21 |
43.05 |
6.16 |
-9.41 |
-0.44 |
0 |
|
|
361661 |
127303993 |
1 |
FON5C21H26 |
ABC5D21E26 |
-5.1 |
5.7 |
-8.29 |
-0.14 |
0 |
|
|
361662 |
127303994 |
1 |
OSN5C17H21 |
ABC5D17E21 |
72.97 |
9.95 |
-9.31 |
-0.75 |
0 |
|
|
361663 |
127303995 |
1 |
ON4C24H24 |
AB4C24D24 |
67.45 |
5.25 |
-8.9 |
-0.54 |
0 |
|
|
361664 |
127303996 |
1 |
OSN4C19H24 |
ABC4D19E24 |
29.43 |
6.24 |
-8.94 |
-0.26 |
0 |
|
|
361665 |
127303997 |
1 |
O2N5C20H23 |
A2B5C20D23 |
21.52 |
7.53 |
-9.37 |
-0.47 |
0 |
|
|
361666 |
127303998 |
1 |
OSN5C16H21 |
ABC5D16E21 |
45.38 |
5.29 |
-9.33 |
-0.54 |
0 |
|
|
361667 |
127303999 |
1 |
O2N5C21H23 |
A2B5C21D23 |
21.19 |
4.35 |
-8.86 |
-0.59 |
0 |
|
|
361668 |
127304000 |
1 |
OSN7C17H25 |
ABC7D17E25 |
54.1 |
4.57 |
-8.68 |
-0.06 |
0 |
|
|
361669 |
127304001 |
2 |
ON3C10H12 |
AB3C10D12 |
55.32 |
10.29 |
-9.68 |
-1.05 |
0 |
|
|
361670 |
127304002 |
1 |
O2N7C19H27 |
A2B7C19D27 |
14.98 |
8.34 |
-9.28 |
-0.03 |
0 |
|
|
361671 |
127304008 |
1 |
ON4C15H22 |
AB4C15D22 |
24.87 |
6.2 |
-9.3 |
0.0 |
0 |
|
|
361672 |
127304009 |
2 |
ON3C10H13 |
AB3C10D13 |
-11.67 |
6.75 |
-8.85 |
0.01 |
0 |
|
|
361673 |
127304010 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-37.73 |
5.59 |
-8.82 |
-0.38 |
0 |
|
|
361674 |
127304389 |
1 |
ClO2N4C19H23 |
AB2C4D19E23 |
3.1 |
4.01 |
-9.35 |
-0.41 |
0 |
|
|
361675 |
127304390 |
1 |
N4O4C17H28 |
A4B4C17D28 |
-126.43 |
5.5 |
-9.27 |
-0.28 |
0 |
|
|
361676 |
127304391 |
2 |
N2O2C7H11 |
A2B2C7D11 |
-105.26 |
4.62 |
-9.3 |
-0.38 |
0 |
|
|
361677 |
127304392 |
1 |
O2N7C14H21 |
A2B7C14D21 |
29.97 |
2.32 |
-9.52 |
-0.5 |
0 |
|
|
361678 |
127304393 |
1 |
O3N6C20H24 |
A3B6C20D24 |
-35.4 |
0.82 |
-9.22 |
-0.78 |
0 |
|
|
361679 |
127304394 |
1 |
O3N5C18H29 |
A3B5C18D29 |
-94.72 |
4.41 |
-9.37 |
-0.43 |
0 |
|
|
361680 |
127304395 |
1 |
O2N5C20H23 |
A2B5C20D23 |
18.93 |
5.14 |
-9.17 |
-0.88 |
0 |
|
|
361681 |
127304396 |
1 |
O3N5C16H21 |
A3B5C16D21 |
17.47 |
3.67 |
-9.3 |
-0.5 |
0 |
|
|
361682 |
127304397 |
1 |
SO2N7C16H25 |
AB2C7D16E25 |
12.38 |
2.24 |
-8.79 |
-0.42 |
0 |
|
|
361683 |
127304398 |
1 |
O3N6C19H24 |
A3B6C19D24 |
13.18 |
4.18 |
-9.52 |
-1.16 |
0 |
|
|
361684 |
127304399 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-85.41 |
5.46 |
-8.67 |
-0.38 |
0 |
|
|
361685 |
127304400 |
1 |
O3N6C20H26 |
A3B6C20D26 |
-41.2 |
3.94 |
-8.73 |
-0.42 |
0 |
|
|
361686 |
127304401 |
1 |
SO2N5C20H23 |
AB2C5D20E23 |
28.12 |
2.58 |
-9.12 |
-0.92 |
0 |
|
|
361687 |
127304402 |
1 |
SO2N4C19H26 |
AB2C4D19E26 |
-18.27 |
3.86 |
-9.01 |
-0.38 |
0 |
|
|
361688 |
127304403 |
1 |
O4N5C18H21 |
A4B5C18D21 |
-73.49 |
3.04 |
-9.16 |
-0.72 |
0 |