List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
415959 |
135088961 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-81.4 |
2.49 |
-9.7 |
-0.95 |
0 |
|
|
415960 |
135088962 |
2 |
NOC9H11 |
ABC9D11 |
-69.19 |
4.66 |
-8.73 |
-0.22 |
0 |
|
|
415961 |
135088966 |
1 |
O5N7C34H49 |
A5B7C34D49 |
-211.72 |
8.21 |
-9.35 |
0.0 |
0 |
|
|
415962 |
135088967 |
1 |
ON4C19H22 |
AB4C19D22 |
28.62 |
5.51 |
-9.05 |
-0.34 |
0 |
|
|
415963 |
135088968 |
1 |
OSN5C16H19 |
ABC5D16E19 |
17.02 |
6.19 |
-9.25 |
-0.68 |
0 |
|
|
415964 |
135088969 |
2 |
ON3C8H10 |
AB3C8D10 |
-7.63 |
7.95 |
-9.11 |
-1.08 |
0 |
|
|
415965 |
135088970 |
1 |
O2N5C17H25 |
A2B5C17D25 |
-51.17 |
8.05 |
-9.16 |
0.67 |
0 |
|
|
415966 |
135088971 |
1 |
O6N7C39H51 |
A6B7C39D51 |
-220.84 |
6.34 |
-8.92 |
-0.54 |
0 |
|
|
415967 |
135088972 |
1 |
FN3O3C21H26 |
AB3C3D21E26 |
-93.74 |
4.85 |
-9.06 |
-0.98 |
0 |
|
|
415968 |
135088973 |
1 |
O2N3C22H23 |
A2B3C22D23 |
3.75 |
5.09 |
-9.04 |
-0.77 |
0 |
|
|
415969 |
135088974 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-152.42 |
3.5 |
-8.32 |
0.08 |
0 |
|
|
415973 |
135088978 |
1 |
O3N4C12H16 |
A3B4C12D16 |
-40.91 |
6.33 |
-9.3 |
-0.8 |
0 |
|
|
415974 |
135088979 |
3 |
NOC7H7 |
ABC7D7 |
-75.95 |
4.85 |
-9.08 |
-1.24 |
0 |
|
|
415975 |
135088980 |
1 |
O2N5C23H25 |
A2B5C23D25 |
28.34 |
10.44 |
-9.68 |
-0.75 |
0 |
|
|
415976 |
135088981 |
1 |
SN3O5C18H19 |
AB3C5D18E19 |
-134.39 |
2.74 |
-9.75 |
-1.23 |
0 |
|
|
415977 |
135088982 |
1 |
NSO2C16H23 |
ABC2D16E23 |
-71.32 |
4.0 |
-8.73 |
-0.22 |
0 |
|
|
415978 |
135088983 |
1 |
O2N3C17H27 |
A2B3C17D27 |
-66.35 |
2.79 |
-8.77 |
-0.06 |
0 |
|
|
415979 |
135088984 |
1 |
FN2O5C19H23 |
AB2C5D19E23 |
-185.5 |
2.33 |
-9.34 |
-1.46 |
0 |
|
|
415980 |
135088985 |
1 |
S2N3O4C11H19 |
A2B3C4D11E19 |
-142.83 |
3.18 |
-8.86 |
-0.44 |
0 |
|
|
415981 |
135088986 |
1 |
N2O3C17H30 |
A2B3C17D30 |
-172.12 |
3.69 |
-8.57 |
0.93 |
0 |
|
|
415982 |
135088987 |
2 |
ON2C11H16 |
AB2C11D16 |
-22.33 |
5.77 |
-8.87 |
-0.35 |
0 |
|
|
415983 |
135088988 |
1 |
ON4C13H22 |
AB4C13D22 |
-26.76 |
1.72 |
-9.0 |
-0.17 |
0 |
|
|
415984 |
135088989 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-46.12 |
5.72 |
-8.8 |
0.1 |
0 |
|
|
415985 |
135088990 |
1 |
SN2O5C15H22 |
AB2C5D15E22 |
-200.13 |
5.22 |
-9.57 |
-0.44 |
0 |
|
|
415986 |
135088991 |
1 |
FN5O6C37H44 |
AB5C6D37E44 |
-262.43 |
6.43 |
-9.44 |
-0.67 |
0 |
|
|
415987 |
135088992 |
1 |
ClOSN2C19H25 |
ABCD2E19F25 |
-25.22 |
2.87 |
-8.67 |
-0.67 |
0 |
|
|
415988 |
135088993 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-57.41 |
5.8 |
-8.51 |
-0.92 |
0 |
|
|
415990 |
135088995 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-94.75 |
5.94 |
-8.98 |
-0.71 |
0 |
|
|
415991 |
135088996 |
1 |
NF2O4C18H25 |
AB2C4D18E25 |
-272.01 |
3.09 |
-8.69 |
-0.19 |
0 |
|
|
415992 |
135088997 |
1 |
SN2O7C17H22 |
AB2C7D17E22 |
-276.69 |
1.86 |
-9.53 |
-1.22 |
0 |
|
|
415993 |
135088998 |
1 |
ClO2N3C20H28 |
AB2C3D20E28 |
-7.75 |
5.4 |
-8.89 |
-0.02 |
0 |
|
|
415994 |
135088999 |
1 |
OSN2C15H22 |
ABC2D15E22 |
-19.48 |
4.34 |
-8.71 |
-0.24 |
0 |
|
|
415995 |
135089000 |
1 |
NO4C19H25 |
AB4C19D25 |
-158.25 |
6.67 |
-8.75 |
-0.08 |
0 |
|
|
415996 |
135089001 |
1 |
O5N8C28H36 |
A5B8C28D36 |
-38.63 |
11.61 |
-8.83 |
-0.6 |
0 |
|
|
415997 |
135089002 |
1 |
OF3N4C17H21 |
AB3C4D17E21 |
-142.26 |
5.38 |
-8.99 |
-0.5 |
0 |
|
|
415998 |
135089003 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-72.2 |
5.21 |
-8.66 |
0.05 |
0 |
|
|
415999 |
135089004 |
1 |
SO4N6C15H20 |
AB4C6D15E20 |
-70.74 |
6.25 |
-10.06 |
-1.37 |
0 |
|
|
416000 |
135089005 |
1 |
FO2N4C17H23 |
AB2C4D17E23 |
-69.66 |
4.39 |
-9.29 |
-0.12 |
0 |
|
|
416001 |
135089006 |
1 |
N2O3C22H32 |
A2B3C22D32 |
-107.99 |
4.24 |
-9.09 |
-0.12 |
0 |
|
|
416002 |
135089007 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-163.36 |
1.81 |
-8.82 |
0.21 |
0 |
|
|
416003 |
135089008 |
1 |
ClSN2O4C18H21 |
ABC2D4E18F21 |
-118.63 |
4.07 |
-9.49 |
-1.12 |
0 |
|
|
416004 |
135089009 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-74.88 |
3.4 |
-8.95 |
-0.88 |
0 |
|
|
416005 |
135089010 |
1 |
OSN4C18H22 |
ABC4D18E22 |
2.58 |
4.41 |
-9.32 |
-0.44 |
0 |
|
|
416006 |
135089011 |
1 |
ClNO3C14H18 |
ABC3D14E18 |
-135.5 |
6.13 |
-9.3 |
-0.19 |
0 |
|
|
416007 |
135089012 |
1 |
ON5C19H25 |
AB5C19D25 |
23.29 |
4.5 |
-8.91 |
-0.21 |
0 |
|
|
416008 |
135089013 |
1 |
SO2N4C14H16 |
AB2C4D14E16 |
-19.23 |
5.77 |
-9.43 |
-0.95 |
0 |
|
|
416009 |
135089014 |
1 |
O6N7C35H53 |
A6B7C35D53 |
-261.61 |
6.58 |
-8.97 |
0.02 |
0 |
|
|
416010 |
135089015 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-75.78 |
0.83 |
-8.95 |
-1.46 |
0 |
|
|
416011 |
135089016 |
1 |
SO3N6C29H38 |
AB3C6D29E38 |
-35.65 |
2.31 |
-8.78 |
-0.51 |
0 |
|
|
416012 |
135089017 |
1 |
S2N5O7C32H47 |
A2B5C7D32E47 |
-309.74 |
7.58 |
-8.69 |
-0.85 |
0 |
|
|
416013 |
135089018 |
1 |
N3O3C21H23 |
A3B3C21D23 |
1.97 |
5.61 |
-8.45 |
-0.64 |
0 |
|
|
416014 |
135089019 |
1 |
O3N5C18H19 |
A3B5C18D19 |
-10.97 |
8.41 |
-9.89 |
-1.14 |
0 |
|
|
416015 |
135089020 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-82.02 |
8.38 |
-9.22 |
-0.14 |
0 |
|
|
416016 |
135089021 |
2 |
FNO2C9H10 |
ABC2D9E10 |
-198.36 |
4.53 |
-9.68 |
-0.6 |
0 |
|
|
416017 |
135089022 |
1 |
NO5C22H25 |
AB5C22D25 |
-180.38 |
1.98 |
-8.85 |
-0.04 |
0 |
|
|
416018 |
135089023 |
2 |
ON3C12H14 |
AB3C12D14 |
0.96 |
2.39 |
-8.84 |
-0.67 |
0 |
|
|
416019 |
135089024 |
1 |
N6O9C36H50 |
A6B9C36D50 |
-357.52 |
7.3 |
-8.5 |
-0.22 |
0 |
|
|
416020 |
135089025 |
1 |
F2O2N4C17H22 |
A2B2C4D17E22 |
-121.93 |
2.39 |
-8.72 |
-0.53 |
0 |
|
|
416021 |
135089026 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-76.42 |
3.72 |
-9.68 |
-0.3 |
0 |
|
|
416022 |
135089027 |
2 |
ON3C8H11 |
AB3C8D11 |
-32.09 |
7.21 |
-9.09 |
-0.44 |
0 |
|
|
416023 |
135089028 |
1 |
N6O6C33H46 |
A6B6C33D46 |
-221.99 |
8.36 |
-8.99 |
-0.76 |
0 |
|
|
416024 |
135089029 |
1 |
O2N5C17H17 |
A2B5C17D17 |
0.1 |
11.5 |
-9.22 |
-1.0 |
0 |
|
|
416025 |
135089030 |
1 |
N3O4C14H17 |
A3B4C14D17 |
-121.27 |
6.22 |
-10.0 |
-0.74 |
0 |
|
|
416026 |
135089031 |
1 |
ON5C16H23 |
AB5C16D23 |
-4.7 |
4.15 |
-8.72 |
-0.03 |
0 |
|
|
416027 |
135089032 |
1 |
OF2N2C19H28 |
AB2C2D19E28 |
-127.4 |
0.59 |
-8.57 |
-0.09 |
0 |
|
|
416028 |
135089033 |
1 |
SN3O5C18H23 |
AB3C5D18E23 |
-132.08 |
5.48 |
-9.56 |
-0.46 |
0 |
|
|
416029 |
135089034 |
3 |
NOC6H9 |
ABC6D9 |
-102.7 |
4.89 |
-8.78 |
-0.48 |
0 |
|
|
416030 |
135089035 |
2 |
N2O2C11H14 |
A2B2C11D14 |
-95.87 |
5.59 |
-9.23 |
-1.15 |
0 |
|
|
416031 |
135089036 |
1 |
O2N5C20H29 |
A2B5C20D29 |
-52.54 |
8.01 |
-9.2 |
0.3 |
0 |
|
|
416033 |
135089038 |
1 |
O3N6C13H14 |
A3B6C13D14 |
73.7 |
6.99 |
-9.94 |
-1.57 |
0 |
|
|
416034 |
135089039 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-55.83 |
5.82 |
-8.37 |
-0.28 |
0 |
|
|
416035 |
135089040 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-131.04 |
7.64 |
-8.69 |
-0.82 |
0 |
|
|
416037 |
135089042 |
1 |
ClO4N5C37H46 |
AB4C5D37E46 |
-157.36 |
8.06 |
-8.4 |
-0.24 |
0 |
|
|
416038 |
135089043 |
3 |
N2C7H10 |
A2B7C10 |
42.44 |
2.82 |
-8.27 |
-0.04 |
0 |
|
|
416039 |
135089044 |
1 |
OSN5C17H25 |
ABC5D17E25 |
0.7 |
3.36 |
-8.82 |
-0.41 |
0 |
|
|
416040 |
135089045 |
1 |
FOCl2N2H19C21 |
ABC2D2E19F21 |
-38.22 |
2.07 |
-9.07 |
-0.78 |
0 |
|
|
416041 |
135089046 |
1 |
O2N4C15H16 |
A2B4C15D16 |
25.11 |
1.87 |
-9.2 |
-0.96 |
0 |
|
|
416042 |
135089047 |
1 |
NO3C21H27 |
AB3C21D27 |
-119.93 |
3.61 |
-8.71 |
-0.45 |
0 |
|
|
416043 |
135089048 |
1 |
O2N5C21H23 |
A2B5C21D23 |
-9.08 |
4.93 |
-8.47 |
-0.54 |
0 |
|
|
416044 |
135089049 |
1 |
O2N3C25H27 |
A2B3C25D27 |
-33.59 |
2.85 |
-8.46 |
-0.1 |
0 |
|
|
416045 |
135089050 |
1 |
S2N3O4C16H21 |
A2B3C4D16E21 |
-128.1 |
5.55 |
-9.44 |
-1.18 |
0 |
|
|
416046 |
135089051 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-197.72 |
7.54 |
-9.44 |
-0.44 |
0 |
|
|
416047 |
135089052 |
1 |
ON5C20H27 |
AB5C20D27 |
-7.56 |
5.33 |
-8.42 |
-0.39 |
0 |
|
|
416049 |
135089054 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-59.12 |
5.57 |
-9.14 |
-0.24 |
0 |
|
|
416050 |
135089055 |
2 |
NO2C10H13 |
AB2C10D13 |
-112.85 |
4.89 |
-8.66 |
0.2 |
0 |
|
|
416051 |
135089056 |
1 |
ClO3N4C21H27 |
AB3C4D21E27 |
-52.18 |
6.5 |
-8.75 |
-0.96 |
0 |
|
|
416052 |
135089057 |
1 |
ClN3O5C18H22 |
AB3C5D18E22 |
-144.77 |
2.32 |
-9.29 |
-1.25 |
0 |
|
|
416053 |
135089058 |
1 |
O2N3C22H25 |
A2B3C22D25 |
-31.13 |
6.48 |
-8.59 |
-0.8 |
0 |
|
|
416054 |
135089059 |
1 |
O5N7C29H37 |
A5B7C29D37 |
-110.85 |
7.07 |
-9.45 |
-1.38 |
0 |
|
|
416055 |
135089060 |
1 |
SN2O2H18C19 |
AB2C2D18E19 |
-5.72 |
6.76 |
-9.19 |
-0.86 |
0 |
|
|
416056 |
135089061 |
1 |
ClO4N8C33H39 |
AB4C8D33E39 |
-61.06 |
4.59 |
-9.41 |
-0.8 |
0 |
|
|
416057 |
135089062 |
1 |
NSO5C16H23 |
ABC5D16E23 |
-220.5 |
5.03 |
-9.93 |
-0.84 |
0 |
|
|
416058 |
135089063 |
1 |
O5N6C28H44 |
A5B6C28D44 |
-231.99 |
8.86 |
-9.07 |
-0.05 |
0 |
|
|
416060 |
135089065 |
1 |
SN2F3O5C18H21 |
AB2C3D5E18F21 |
-281.5 |
4.39 |
-9.72 |
-1.35 |
0 |
|
|
416061 |
135089066 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-63.79 |
2.41 |
-9.12 |
-0.05 |
0 |
|
|
416062 |
135089067 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-54.69 |
3.31 |
-9.54 |
-1.2 |
0 |
|
|
416063 |
135089068 |
1 |
ON5C20H23 |
AB5C20D23 |
16.66 |
1.76 |
-8.46 |
-0.1 |
0 |
|
|
416064 |
135089069 |
1 |
ClON3C12H18 |
ABC3D12E18 |
-24.34 |
3.53 |
-8.92 |
-0.41 |
0 |
|
|
416065 |
135089070 |
2 |
N3C10H14 |
A3B10C14 |
43.9 |
2.38 |
-8.63 |
-0.11 |
0 |
|
|
416066 |
135089074 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-41.11 |
4.12 |
-9.14 |
-0.47 |
0 |