List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
66951 |
46505582 |
1 |
ClSO3N5C31H34 |
ABC3D5E31F34 |
-33.63 |
7.04 |
-8.27 |
-0.79 |
0 |
|
|
66952 |
46505583 |
1 |
SN5O5C34H39 |
AB5C5D34E39 |
-119.23 |
4.07 |
-8.17 |
-1.0 |
0 |
|
|
66953 |
46505585 |
1 |
SO4N5C32H37 |
AB4C5D32E37 |
-66.25 |
5.16 |
-8.29 |
-0.88 |
0 |
|
|
66954 |
46505588 |
1 |
SO4N5C34H41 |
AB4C5D34E41 |
-86.42 |
4.1 |
-8.32 |
-0.79 |
0 |
|
|
66955 |
46505591 |
1 |
ClSO3N5C32H36 |
ABC3D5E32F36 |
-46.14 |
2.83 |
-8.21 |
-0.87 |
0 |
|
|
66956 |
46505592 |
1 |
SN5O5C35H41 |
AB5C5D35E41 |
-124.98 |
4.8 |
-8.15 |
-0.98 |
0 |
|
|
66957 |
46505593 |
1 |
ClSO4N5C33H38 |
ABC4D5E33F38 |
-81.47 |
5.99 |
-8.1 |
-0.75 |
0 |
|
|
66958 |
46505594 |
1 |
SO4N5C33H39 |
AB4C5D33E39 |
-74.97 |
5.74 |
-8.15 |
-0.98 |
0 |
|
|
66959 |
46505595 |
1 |
ClSO3N5C32H36 |
ABC3D5E32F36 |
-43.49 |
3.21 |
-8.18 |
-1.16 |
0 |
|
|
66960 |
46505596 |
1 |
S2O3N5C33H39 |
A2B3C5D33E39 |
-35.16 |
3.02 |
-8.21 |
-1.13 |
0 |
|
|
66961 |
46505597 |
1 |
SO4N5C34H41 |
AB4C5D34E41 |
-84.41 |
2.69 |
-8.14 |
-0.83 |
0 |
|
|
66962 |
46505598 |
1 |
SO4N5C35H43 |
AB4C5D35E43 |
-85.71 |
6.53 |
-8.31 |
-0.48 |
0 |
|
|
66963 |
46505599 |
1 |
SO3N5C34H41 |
AB3C5D34E41 |
-47.83 |
7.18 |
-8.66 |
-0.5 |
0 |
|
|
66964 |
46505600 |
1 |
FSO3N5C33H38 |
ABC3D5E33F38 |
-89.85 |
2.06 |
-8.23 |
-1.03 |
0 |
|
|
66965 |
46505602 |
1 |
SN5O5C36H43 |
AB5C5D36E43 |
-132.32 |
6.87 |
-8.48 |
-0.72 |
0 |
|
|
66966 |
46505605 |
1 |
ClSO3N5C33H38 |
ABC3D5E33F38 |
-49.81 |
4.94 |
-8.38 |
-0.65 |
0 |
|
|
66967 |
46505609 |
1 |
SN5O6C36H41 |
AB5C6D36E41 |
-172.27 |
2.92 |
-8.18 |
-1.27 |
0 |
|
|
66968 |
46505610 |
1 |
SN5O5C34H39 |
AB5C5D34E39 |
-117.91 |
6.09 |
-8.41 |
-1.02 |
0 |
|
|
66969 |
46505611 |
1 |
SN4O4C29H38 |
AB4C4D29E38 |
-123.13 |
6.66 |
-8.57 |
-0.64 |
0 |
|
|
66970 |
46505612 |
1 |
SO3N4C28H36 |
AB3C4D28E36 |
-86.92 |
2.69 |
-8.38 |
-0.92 |
0 |
|
|
66971 |
46505614 |
1 |
ClSO3N4C27H33 |
ABC3D4E27F33 |
-84.13 |
4.03 |
-8.53 |
-0.92 |
0 |
|
|
66972 |
46505616 |
1 |
SN4O4C30H40 |
AB4C4D30E40 |
-128.21 |
4.94 |
-8.57 |
-0.49 |
0 |
|
|
66973 |
46505617 |
1 |
SO3N4C29H38 |
AB3C4D29E38 |
-91.34 |
2.38 |
-8.36 |
-0.95 |
0 |
|
|
66974 |
46505618 |
1 |
FSO3N4C28H35 |
ABC3D4E28F35 |
-125.98 |
11.46 |
-8.57 |
-0.36 |
0 |
|
|
66975 |
46505622 |
1 |
S2O3N5C29H39 |
A2B3C5D29E39 |
-71.03 |
3.93 |
-8.43 |
-0.84 |
0 |
|
|
66976 |
46505625 |
1 |
ClSN4O4C24H27 |
ABC4D4E24F27 |
-129.6 |
4.09 |
-8.44 |
-0.87 |
0 |
|
|
66977 |
46505626 |
1 |
SO4N5C27H35 |
AB4C5D27E35 |
-99.65 |
1.34 |
-8.33 |
-0.94 |
0 |
|
|
66978 |
46505629 |
1 |
ClSN5O5C34H38 |
ABC5D5E34F38 |
-126.41 |
4.97 |
-8.18 |
-1.23 |
0 |
|
|
66979 |
46505631 |
1 |
ClFSO3N5C32H35 |
ABCD3E5F32G35 |
-88.04 |
5.75 |
-8.51 |
-0.76 |
0 |
|
|
66980 |
46505632 |
1 |
ClFSO2N5C31H33 |
ABCD2E5F31G33 |
-52.96 |
3.48 |
-8.58 |
-0.85 |
0 |
|
|
66981 |
46505638 |
1 |
FSCl2O2N5C30H30 |
ABC2D2E5F30G30 |
-53.16 |
3.79 |
-8.44 |
-1.05 |
0 |
|
|
66982 |
46505639 |
1 |
ClFO2S2N5C31H33 |
ABC2D2E5F31G33 |
-44.07 |
4.37 |
-8.67 |
-1.04 |
0 |
|
|
66983 |
46505640 |
1 |
ClFSO2N5C26H31 |
ABCD2E5F26G31 |
-82.73 |
5.7 |
-8.27 |
-0.91 |
0 |
|
|
66984 |
46505641 |
1 |
SN4O5C29H36 |
AB4C5D29E36 |
-163.97 |
4.56 |
-8.71 |
-0.77 |
0 |
|
|
66985 |
46505642 |
1 |
FSN4O4C28H33 |
ABC4D4E28F33 |
-168.98 |
1.74 |
-8.85 |
-1.25 |
0 |
|
|
66986 |
46505645 |
1 |
ClSN4O4C28H33 |
ABC4D4E28F33 |
-134.04 |
1.5 |
-8.99 |
-1.2 |
0 |
|
|
66987 |
46505646 |
1 |
ClFSO3N4C26H30 |
ABCD3E4F26G30 |
-130.21 |
1.21 |
-8.97 |
-0.98 |
0 |
|
|
66988 |
46505647 |
1 |
ClSO2N5C24H28 |
ABC2D5E24F28 |
-24.46 |
2.51 |
-8.53 |
-1.1 |
0 |
|
|
66989 |
46505650 |
1 |
SCl2O2N5C24H27 |
AB2C2D5E24F27 |
-29.02 |
1.7 |
-8.8 |
-1.06 |
0 |
|
|
66990 |
46505653 |
1 |
FSO2N4C27H33 |
ABC2D4E27F33 |
-96.49 |
3.64 |
-8.95 |
-0.88 |
0 |
|
|
66991 |
46505655 |
1 |
SN4O4C27H34 |
AB4C4D27E34 |
-108.08 |
4.42 |
-8.55 |
-0.71 |
0 |
|
|
66992 |
46505657 |
1 |
SO3N4C27H34 |
AB3C4D27E34 |
-78.04 |
4.13 |
-8.31 |
-0.87 |
0 |
|
|
66993 |
46505659 |
1 |
ClSN4O4C27H33 |
ABC4D4E27F33 |
-110.84 |
4.09 |
-8.44 |
-0.76 |
0 |
|
|
66994 |
46505660 |
1 |
SN4O4C27H34 |
AB4C4D27E34 |
-108.11 |
3.96 |
-8.28 |
-0.7 |
0 |
|
|
66995 |
46505665 |
1 |
ClS2N3O3H24C25 |
AB2C3D3E24F25 |
-43.96 |
4.68 |
-8.9 |
-0.96 |
0 |
|
|
66996 |
46505667 |
1 |
S2N3O4C26H27 |
A2B3C4D26E27 |
-78.9 |
2.72 |
-8.44 |
-0.79 |
0 |
|
|
66997 |
46505668 |
1 |
FS2N3O3H24C25 |
AB2C3D3E24F25 |
-84.74 |
1.42 |
-8.86 |
-0.85 |
0 |
|
|
66998 |
46505670 |
1 |
NO5C30H31 |
AB5C30D31 |
-72.68 |
3.68 |
-8.39 |
-0.33 |
0 |
|
|
66999 |
46505671 |
1 |
O5C25H28 |
A5B25C28 |
-128.57 |
1.73 |
-8.11 |
-0.63 |
0 |
|
|
67000 |
46505674 |
1 |
OH22C28 |
AB22C28 |
63.56 |
3.3 |
-8.74 |
-0.51 |
0 |
|
|
67001 |
46505675 |
1 |
NOH27C34 |
ABC27D34 |
102.85 |
2.56 |
-8.86 |
-0.71 |
0 |
|
|
67002 |
46505680 |
1 |
NOCl2F2H15C20 |
ABC2D2E15F20 |
-68.76 |
3.12 |
-9.11 |
-0.71 |
0 |
|
|
67003 |
46505682 |
1 |
OCl2F2H16C21 |
AB2C2D16E21 |
-86.89 |
4.5 |
-9.85 |
-0.58 |
0 |
|
|
67004 |
46505685 |
1 |
O3C26H30 |
A3B26C30 |
-80.19 |
3.2 |
-8.46 |
-0.02 |
0 |
|
|
67005 |
46505690 |
1 |
NO5C34H39 |
AB5C34D39 |
-111.3 |
5.41 |
-8.14 |
-0.41 |
0 |
|
|
67006 |
46505691 |
1 |
O5C29H36 |
A5B29C36 |
-159.47 |
3.35 |
-8.2 |
-0.42 |
0 |
|
|
67007 |
46505692 |
1 |
N3O5H21C22 |
A3B5C21D22 |
22.82 |
6.88 |
-9.41 |
-1.63 |
0 |
|
|
67008 |
46505693 |
1 |
ON3C26H33 |
AB3C26D33 |
32.65 |
4.53 |
-8.07 |
-0.16 |
0 |
|
|
67009 |
46505694 |
1 |
O5C29H36 |
A5B29C36 |
-149.67 |
3.57 |
-8.08 |
-0.51 |
0 |
|
|
67010 |
46505695 |
1 |
O5C29H36 |
A5B29C36 |
-157.25 |
4.89 |
-7.99 |
-0.14 |
0 |
|
|
67011 |
46505696 |
1 |
O5C31H40 |
A5B31C40 |
-157.12 |
5.5 |
-8.18 |
-0.41 |
0 |
|
|
67012 |
46505697 |
1 |
O5C32H42 |
A5B32C42 |
-168.93 |
2.18 |
-8.02 |
-0.24 |
0 |
|
|
67013 |
46505698 |
1 |
NO5C32H43 |
AB5C32D43 |
-149.23 |
3.0 |
-8.31 |
-0.32 |
0 |
|
|
67014 |
46505699 |
1 |
O5C33H44 |
A5B33C44 |
-168.94 |
3.21 |
-8.12 |
-0.16 |
0 |
|
|
67015 |
46505702 |
1 |
O5C31H40 |
A5B31C40 |
-157.96 |
3.27 |
-8.07 |
-0.19 |
0 |
|
|
67016 |
46505707 |
1 |
NO7C32H35 |
AB7C32D35 |
-148.91 |
5.89 |
-8.56 |
-0.43 |
0 |
|
|
67017 |
46505708 |
1 |
NBr2O3H17C22 |
AB2C3D17E22 |
23.12 |
2.24 |
-9.14 |
-1.06 |
0 |
|
|
67018 |
46505710 |
1 |
NOS2H23C24 |
ABC2D23E24 |
63.23 |
4.34 |
-8.94 |
-0.79 |
0 |
|
|
67019 |
46505713 |
1 |
NOBr2S2H17C18 |
ABC2D2E17F18 |
58.17 |
2.36 |
-9.2 |
-1.21 |
0 |
|
|
67020 |
46505714 |
1 |
BrO3H13C16 |
AB3C13D16 |
-48.71 |
3.11 |
-9.1 |
-0.9 |
0 |
|
|
67021 |
46505715 |
1 |
ClO2H15C18 |
AB2C15D18 |
-34.19 |
4.48 |
-9.28 |
-0.6 |
0 |
|
|
67022 |
46505716 |
1 |
BrFO2H14C18 |
ABC2D14E18 |
-67.11 |
4.3 |
-9.33 |
-0.66 |
0 |
|
|
67023 |
46505718 |
4 |
OC6H7 |
AB6C7 |
-120.55 |
5.31 |
-8.28 |
-0.48 |
0 |
|
|
67024 |
46505719 |
1 |
N3O3C34H37 |
A3B3C34D37 |
-10.76 |
2.08 |
-8.29 |
-0.63 |
0 |
|
|
67025 |
46505721 |
1 |
OBr2F2H16C21 |
AB2C2D16E21 |
-61.99 |
1.91 |
-9.85 |
-0.87 |
0 |
|
|
67026 |
46505722 |
1 |
OC25H28 |
AB25C28 |
-4.02 |
3.28 |
-8.9 |
-0.19 |
0 |
|
|
67027 |
46505723 |
1 |
NBr2O3C24H25 |
AB2C3D24E25 |
-40.67 |
2.18 |
-8.95 |
-0.72 |
0 |
|
|
67028 |
46505724 |
1 |
NOBr2F2H19C22 |
ABC2D2E19F22 |
-53.98 |
0.85 |
-9.25 |
-1.03 |
0 |
|
|
67029 |
46505725 |
1 |
NOC26H31 |
ABC26D31 |
5.66 |
4.24 |
-8.81 |
-0.42 |
0 |
|
|
67030 |
46505727 |
2 |
OC8H10 |
AB8C10 |
-66.29 |
2.5 |
-8.63 |
-0.58 |
0 |
|
|
67031 |
46505730 |
1 |
NOF6H21C28 |
ABC6D21E28 |
-252.88 |
1.77 |
-9.46 |
-1.06 |
0 |
|
|
67032 |
46505733 |
1 |
NOS2C24H27 |
ABC2D24E27 |
29.79 |
2.93 |
-8.19 |
-0.6 |
0 |
|
|
67033 |
46505735 |
1 |
Br2O3H18C21 |
A2B3C18D21 |
-37.48 |
4.41 |
-9.02 |
-0.73 |
0 |
|
|
67034 |
46505738 |
1 |
OC24H26 |
AB24C26 |
2.94 |
2.42 |
-8.81 |
-0.19 |
0 |
|
|
67035 |
46505739 |
1 |
Br2O3H18C21 |
A2B3C18D21 |
-39.37 |
2.66 |
-8.96 |
-0.81 |
0 |
|
|
67036 |
46505740 |
1 |
Br2O3H20C22 |
A2B3C20D22 |
-43.65 |
3.47 |
-9.01 |
-0.43 |
0 |
|
|
67037 |
46505741 |
1 |
OBr2F2H14C20 |
AB2C2D14E20 |
-56.12 |
1.78 |
-9.86 |
-0.93 |
0 |
|
|
67038 |
46505744 |
1 |
NBr2O3H25C28 |
AB2C3D25E28 |
0.21 |
4.68 |
-8.9 |
-0.65 |
0 |
|
|
67039 |
46505745 |
1 |
NOBr2F2H19C26 |
ABC2D2E19F26 |
-13.21 |
2.31 |
-9.37 |
-0.97 |
0 |
|
|
67040 |
46505748 |
1 |
OC18H22 |
AB18C22 |
-33.16 |
3.15 |
-9.34 |
-0.16 |
0 |
|
|
67041 |
46505749 |
1 |
FOC17H19 |
ABC17D19 |
-70.86 |
3.69 |
-9.76 |
-0.31 |
0 |
|
|
67042 |
46505750 |
1 |
ClOC17H19 |
ABC17D19 |
-34.27 |
2.3 |
-9.57 |
-0.7 |
0 |
|
|
67043 |
46505751 |
1 |
OC19H24 |
AB19C24 |
-38.06 |
3.55 |
-9.26 |
-0.16 |
0 |
|
|
67044 |
46505755 |
1 |
NO3C17H19 |
AB3C17D19 |
-28.8 |
4.96 |
-10.13 |
-1.48 |
0 |
|
|
67045 |
46505757 |
2 |
NOH8C10 |
ABC8D10 |
17.1 |
3.61 |
-9.29 |
-1.09 |
0 |
|
|
67046 |
46505759 |
1 |
BrSO2H13C16 |
ABC2D13E16 |
-11.09 |
3.87 |
-9.3 |
-0.76 |
0 |
|
|
67047 |
46505760 |
1 |
BrOSC15H17 |
ABCD15E17 |
-11.31 |
3.49 |
-9.35 |
-1.06 |
0 |
|
|
67048 |
46505761 |
2 |
OC10H13 |
AB10C13 |
-79.71 |
3.2 |
-8.73 |
-0.34 |
0 |
|
|
67049 |
46505763 |
1 |
NO7C28H35 |
AB7C28D35 |
-194.39 |
4.42 |
-8.03 |
-0.14 |
0 |
|
|
67050 |
46505766 |
1 |
ON2H32C36 |
AB2C32D36 |
75.72 |
5.93 |
-8.22 |
-0.42 |
0 |