List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
150986 |
53790683 |
1 |
S2O7N8H16C17 |
A2B7C8D16E17 |
-74.05 |
9.4 |
-9.87 |
-1.58 |
0 |
|
|
150987 |
53790684 |
1 |
OH10C11 |
AB10C11 |
47.86 |
2.24 |
-8.61 |
-0.29 |
0 |
|
|
150988 |
53790685 |
1 |
NO3C22H25 |
AB3C22D25 |
-67.43 |
5.13 |
-8.37 |
-1.13 |
0 |
|
|
150989 |
53790686 |
2 |
NC6H8 |
AB6C8 |
15.12 |
3.58 |
-9.02 |
0.03 |
0 |
|
|
150990 |
53790687 |
1 |
O3H16C26 |
A3B16C26 |
-5.48 |
4.43 |
-9.09 |
-0.88 |
0 |
|
|
150991 |
53790688 |
1 |
OF3C25H35 |
AB3C25D35 |
-231.71 |
3.48 |
-9.51 |
-0.3 |
0 |
|
|
150992 |
53790689 |
1 |
NSC10H13 |
ABC10D13 |
18.23 |
5.36 |
-8.57 |
-0.6 |
0 |
|
|
150993 |
53790690 |
1 |
ClSN2H3C4 |
ABC2D3E4 |
72.0 |
2.91 |
-9.15 |
-1.62 |
0 |
|
|
150994 |
53790691 |
2 |
NO2C16H18 |
AB2C16D18 |
-91.38 |
3.68 |
-8.55 |
-0.22 |
0 |
|
|
150995 |
53790692 |
2 |
OSN4C12H13 |
ABC4D12E13 |
29.35 |
8.55 |
-8.98 |
-1.16 |
0 |
|
|
150996 |
53790693 |
1 |
ClN3O7C39H50 |
AB3C7D39E50 |
-200.04 |
3.97 |
-8.36 |
-1.65 |
0 |
|
|
150997 |
53790694 |
1 |
S2N3O3H15C20 |
A2B3C3D15E20 |
22.52 |
10.44 |
-8.45 |
-0.97 |
0 |
|
|
150998 |
53790695 |
1 |
FNPO4C13H19 |
ABCD4E13F19 |
-235.43 |
2.59 |
-9.04 |
-0.73 |
0 |
|
|
150999 |
53790696 |
1 |
ON5C16H23 |
AB5C16D23 |
10.5 |
1.15 |
-8.71 |
-0.69 |
0 |
|
|
151000 |
53790697 |
1 |
NO3C18H23 |
AB3C18D23 |
-91.62 |
3.37 |
-8.27 |
-0.04 |
0 |
|
|
151001 |
53790698 |
1 |
S2O3C11H18 |
A2B3C11D18 |
-160.1 |
2.91 |
-8.81 |
0.05 |
0 |
|
|
151002 |
53790699 |
1 |
ON3C15H21 |
AB3C15D21 |
44.73 |
4.69 |
-8.65 |
-0.38 |
0 |
|
|
151003 |
53790700 |
1 |
N2O5C18H24 |
A2B5C18D24 |
-111.63 |
5.02 |
-8.58 |
-0.47 |
0 |
|
|
151004 |
53790701 |
1 |
N2S2F3O6H15C19 |
A2B2C3D6E15F19 |
-323.04 |
8.82 |
-9.13 |
-0.98 |
0 |
|
|
151005 |
53790702 |
1 |
NOC10H19 |
ABC10D19 |
-74.63 |
1.3 |
-8.77 |
2.63 |
0 |
|
|
151006 |
53790703 |
1 |
O4N5C20H27 |
A4B5C20D27 |
-148.17 |
8.29 |
-8.93 |
-0.8 |
0 |
|
|
151007 |
53790704 |
1 |
ClFN2O5C20H24 |
ABC2D5E20F24 |
-224.2 |
2.74 |
-9.37 |
-1.33 |
0 |
|
|
151008 |
53790705 |
1 |
N3O6C31H39 |
A3B6C31D39 |
-130.94 |
4.8 |
-8.56 |
-1.1 |
0 |
|
|
151009 |
53790706 |
1 |
NSF3O5C11H12 |
ABC3D5E11F12 |
-278.07 |
4.83 |
-8.66 |
-1.76 |
0 |
|
|
151010 |
53790707 |
2 |
NC11H24 |
AB11C24 |
-96.33 |
0.41 |
-8.66 |
2.88 |
0 |
|
|
151011 |
53790708 |
1 |
FC23H31 |
AB23C31 |
-17.55 |
1.65 |
-8.7 |
-0.31 |
0 |
|
|
151012 |
53790709 |
1 |
O4C7H10 |
A4B7C10 |
-138.06 |
4.23 |
-10.93 |
-0.01 |
0 |
|
|
151013 |
53790710 |
1 |
N2O4H16C17 |
A2B4C16D17 |
-99.19 |
7.49 |
-9.44 |
-1.11 |
0 |
|
|
151014 |
53790711 |
1 |
NO4C26H31 |
AB4C26D31 |
-143.08 |
4.15 |
-8.78 |
-0.94 |
0 |
|
|
151015 |
53790712 |
1 |
N7H9C10 |
A7B9C10 |
161.19 |
4.72 |
-9.88 |
-0.99 |
0 |
|
|
151016 |
53790713 |
1 |
ClN2O5H21C23 |
AB2C5D21E23 |
-127.52 |
2.77 |
-9.24 |
-0.58 |
0 |
|
|
151017 |
53790714 |
2 |
N2C8H19 |
A2B8C19 |
-53.08 |
1.45 |
-8.87 |
3.1 |
0 |
|
|
151018 |
53790715 |
1 |
SO4C8H16 |
AB4C8D16 |
-217.31 |
0.48 |
-9.39 |
-0.32 |
0 |
|
|
151019 |
53790716 |
1 |
ON7C27H27 |
AB7C27D27 |
176.4 |
5.87 |
-9.77 |
-0.79 |
0 |
|
|
151020 |
53790717 |
1 |
ON2C10H20 |
AB2C10D20 |
-40.21 |
3.79 |
-9.54 |
0.72 |
0 |
|
|
151021 |
53790718 |
1 |
NOSC4H7 |
ABCD4E7 |
-25.31 |
2.77 |
-8.92 |
-0.62 |
0 |
|
|
151022 |
53790719 |
2 |
NOC12H13 |
ABC12D13 |
-51.93 |
6.33 |
-9.34 |
-0.4 |
0 |
|
|
151023 |
53790720 |
1 |
ON2H14C17 |
AB2C14D17 |
47.66 |
2.78 |
-9.37 |
-0.54 |
0 |
|
|
151024 |
53790721 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-25.15 |
2.55 |
-9.43 |
-0.93 |
0 |
|
|
151025 |
53790722 |
1 |
NO3C9H11 |
AB3C9D11 |
-45.36 |
4.1 |
-9.32 |
-0.5 |
0 |
|
|
151026 |
53790723 |
1 |
F7H17C20 |
A7B17C20 |
-320.01 |
6.16 |
-9.49 |
-0.92 |
0 |
|
|
151027 |
53790724 |
1 |
ON3C26H43 |
AB3C26D43 |
-7.15 |
3.27 |
-9.54 |
-0.02 |
0 |
|
|
151028 |
53790725 |
1 |
ClO2C21H27 |
AB2C21D27 |
-92.7 |
1.87 |
-8.77 |
-0.3 |
0 |
|
|
151029 |
53790726 |
1 |
ClN2O5C18H23 |
AB2C5D18E23 |
-218.89 |
7.12 |
-9.08 |
-0.61 |
0 |
|
|
151030 |
53790727 |
1 |
BrOSiC12H25 |
ABCD12E25 |
-125.13 |
1.91 |
-9.76 |
-0.04 |
0 |
|
|
151031 |
53790728 |
1 |
SN3O3C24H31 |
AB3C3D24E31 |
-33.11 |
9.7 |
-8.8 |
-1.41 |
0 |
|
|
151032 |
53790729 |
1 |
SN3O3C24H31 |
AB3C3D24E31 |
-34.15 |
8.78 |
-8.9 |
-1.48 |
0 |
|
|
151033 |
53790730 |
2 |
OC6H12 |
AB6C12 |
-117.56 |
2.41 |
-9.67 |
1.0 |
0 |
|
|
151034 |
53790731 |
1 |
O3C29H40 |
A3B29C40 |
-135.81 |
6.34 |
-9.28 |
-0.22 |
0 |
|
|
151035 |
53790732 |
1 |
O3C25H28 |
A3B25C28 |
-94.83 |
7.17 |
-8.74 |
-0.17 |
0 |
|
|
151036 |
53790733 |
1 |
NO2C31H47 |
AB2C31D47 |
-86.99 |
2.08 |
-8.78 |
-0.16 |
0 |
|
|
151037 |
53790734 |
1 |
O4C25H36 |
A4B25C36 |
-171.82 |
7.49 |
-8.86 |
-0.7 |
0 |
|
|
151038 |
53790735 |
1 |
ON5C27H35 |
AB5C27D35 |
16.72 |
1.97 |
-8.36 |
-0.19 |
0 |
|
|
151039 |
53790736 |
1 |
SO2N8F15C41H49 |
AB2C8D15E41F49 |
-732.52 |
8.96 |
-9.22 |
-1.0 |
0 |
|
|
151040 |
53790737 |
1 |
S3O7N9H15C16 |
A3B7C9D15E16 |
-59.33 |
3.53 |
-9.06 |
-1.53 |
0 |
|
|
151041 |
53790738 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-84.99 |
5.27 |
-8.78 |
-0.59 |
0 |
|
|
151042 |
53790739 |
1 |
SN2O2C10H14 |
AB2C2D10E14 |
-59.21 |
5.07 |
-9.17 |
-0.12 |
1 |
|
|
151043 |
53790740 |
1 |
PO4C19H30 |
AB4C19D30 |
-133.64 |
0.5 |
0.0 |
0.0 |
0 |
|
|
151044 |
53790741 |
1 |
SC18H20 |
AB18C20 |
30.81 |
1.74 |
-8.5 |
-0.04 |
0 |
|
|
151045 |
53790742 |
1 |
OC22H44 |
AB22C44 |
-132.13 |
3.44 |
-9.83 |
0.48 |
0 |
|
|
151046 |
53790743 |
1 |
NO3C6H13 |
AB3C6D13 |
-149.33 |
5.61 |
-9.89 |
0.69 |
0 |
|
|
151047 |
53790744 |
1 |
O4H10C11 |
A4B10C11 |
-136.96 |
6.68 |
-9.37 |
-0.39 |
0 |
|
|
151048 |
53790745 |
1 |
SO9C23H30 |
AB9C23D30 |
-320.63 |
7.48 |
-8.68 |
-0.77 |
0 |
|
|
151049 |
53790746 |
1 |
FN2O3C21H33 |
AB2C3D21E33 |
-140.89 |
8.12 |
-10.22 |
-1.47 |
0 |
|
|
151050 |
53790747 |
1 |
NOC9H9 |
ABC9D9 |
53.76 |
2.62 |
-9.24 |
-0.17 |
0 |
|
|
151051 |
53790748 |
1 |
ClSN3O4C22H22 |
ABC3D4E22F22 |
-67.3 |
2.83 |
-8.34 |
-1.17 |
0 |
|
|
151052 |
53790749 |
1 |
Cl3N3O3C26H32 |
A3B3C3D26E32 |
-122.73 |
10.46 |
-8.7 |
-0.67 |
0 |
|
|
151053 |
53790750 |
1 |
NO5C25H33 |
AB5C25D33 |
-186.45 |
1.24 |
-8.2 |
0.24 |
0 |
|
|
151054 |
53790751 |
1 |
IO3N6C9H11 |
AB3C6D9E11 |
-21.37 |
5.64 |
-9.67 |
-1.79 |
0 |
|
|
151055 |
53790752 |
1 |
O2S3C17H20 |
A2B3C17D20 |
-45.27 |
7.46 |
-8.86 |
-0.98 |
0 |
|
|
151056 |
53790753 |
1 |
NO6H15C17 |
AB6C15D17 |
-192.88 |
4.82 |
-9.4 |
-1.07 |
0 |
|
|
151057 |
53790754 |
1 |
NO5C20H21 |
AB5C20D21 |
-89.18 |
5.67 |
-8.81 |
-0.46 |
0 |
|
|
151058 |
53790755 |
1 |
SO6N8H40C41 |
AB6C8D40E41 |
62.16 |
11.54 |
-8.22 |
-2.4 |
0 |
|
|
151059 |
53790756 |
1 |
SO2N3C26H27 |
AB2C3D26E27 |
58.4 |
3.54 |
-8.21 |
-1.66 |
0 |
|
|
151060 |
53790757 |
1 |
NSiO2C11H17 |
ABC2D11E17 |
-107.9 |
5.26 |
-9.42 |
-0.1 |
0 |
|
|
151061 |
53790758 |
1 |
BrPSO2N3C7H9 |
ABCD2E3F7G9 |
-66.88 |
2.09 |
-9.48 |
-1.35 |
0 |
|
|
151062 |
53790759 |
1 |
NOC32H65 |
ABC32D65 |
-196.81 |
3.5 |
-9.72 |
1.31 |
0 |
|
|
151063 |
53790760 |
1 |
O3N4C21H22 |
A3B4C21D22 |
-37.33 |
9.03 |
-9.46 |
-0.83 |
0 |
|
|
151064 |
53790761 |
1 |
BrS2N6O8H15C16 |
AB2C6D8E15F16 |
-195.74 |
7.59 |
-9.46 |
-1.45 |
0 |
|
|
151065 |
53790762 |
1 |
ClNOC3H6 |
ABCD3E6 |
-18.54 |
3.33 |
-9.89 |
-0.4 |
0 |
|
|
151066 |
53790763 |
1 |
N3O4H21C24 |
A3B4C21D24 |
16.97 |
5.45 |
-9.21 |
-1.58 |
0 |
|
|
151067 |
53790764 |
1 |
ClSN2O6H11C17 |
ABC2D6E11F17 |
-187.41 |
4.7 |
-10.0 |
-1.47 |
0 |
|
|
151068 |
53790765 |
1 |
N4O7C29H38 |
A4B7C29D38 |
-269.79 |
6.44 |
-9.51 |
-0.2 |
0 |
|
|
151069 |
53790766 |
1 |
FNO2C21H26 |
ABC2D21E26 |
-104.4 |
3.82 |
-9.01 |
-0.56 |
0 |
|
|
151070 |
53790767 |
1 |
F3N3O8C31H36 |
A3B3C8D31E36 |
-367.26 |
7.35 |
-8.75 |
-1.56 |
0 |
|
|
151071 |
53790768 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-85.99 |
5.33 |
-9.25 |
-0.46 |
0 |
|
|
151072 |
53790769 |
1 |
NO2C21H33 |
AB2C21D33 |
-115.45 |
2.37 |
-9.5 |
0.23 |
0 |
|
|
151073 |
53790770 |
1 |
SN3O6C25H27 |
AB3C6D25E27 |
-96.57 |
8.87 |
-9.76 |
-1.21 |
0 |
|
|
151074 |
53790771 |
1 |
O2N3H19C20 |
A2B3C19D20 |
63.17 |
5.53 |
-8.51 |
-0.48 |
0 |
|
|
151075 |
53790772 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-71.32 |
6.74 |
-9.74 |
-0.84 |
0 |
|
|
151076 |
53790773 |
4 |
OC6H8 |
AB6C8 |
-155.71 |
1.99 |
-8.62 |
-0.79 |
0 |
|
|
151077 |
53790774 |
2 |
ClN4C16H27 |
AB4C16D27 |
-54.47 |
6.25 |
-8.84 |
0.69 |
0 |
|
|
151078 |
53790775 |
1 |
NOSiC12H21 |
ABCD12E21 |
-92.51 |
1.77 |
-8.22 |
0.13 |
0 |
|
|
151079 |
53790776 |
1 |
S2N3O9H23C24 |
A2B3C9D23E24 |
-287.84 |
2.12 |
-9.04 |
-0.95 |
0 |
|
|
151080 |
53790777 |
1 |
ClNO4C16H16 |
ABC4D16E16 |
-131.15 |
4.13 |
-8.64 |
-1.0 |
0 |
|
|
151081 |
53790778 |
1 |
ClNO2C8H8 |
ABC2D8E8 |
-66.34 |
2.65 |
-9.21 |
-0.69 |
0 |
|
|
151082 |
53790779 |
1 |
ON2C19H24 |
AB2C19D24 |
-18.51 |
3.12 |
-8.71 |
-0.46 |
0 |
|
|
151083 |
53790781 |
1 |
S3N4O5C35H40 |
A3B4C5D35E40 |
-117.41 |
2.7 |
-8.41 |
-0.81 |
0 |
|
|
151084 |
53790782 |
1 |
NS2O5C17H21 |
AB2C5D17E21 |
-174.53 |
5.43 |
-8.56 |
-1.17 |
0 |
|
|
151085 |
53790783 |
1 |
O5C17H34 |
A5B17C34 |
-273.67 |
3.73 |
-10.17 |
-0.34 |
0 |