List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
366992 |
127322540 |
1 |
SN3O3C20H29 |
AB3C3D20E29 |
-111.46 |
6.18 |
-9.38 |
-0.64 |
0 |
|
|
366993 |
127322541 |
1 |
ON4C21H26 |
AB4C21D26 |
8.9 |
4.71 |
-9.35 |
-0.47 |
0 |
|
|
366994 |
127322542 |
1 |
N2O3C24H34 |
A2B3C24D34 |
-122.04 |
6.11 |
-8.88 |
0.01 |
0 |
|
|
366995 |
127322543 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-87.84 |
1.2 |
-8.73 |
0.09 |
0 |
|
|
366996 |
127322544 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-122.96 |
5.3 |
-8.88 |
-0.02 |
0 |
|
|
366997 |
127322545 |
1 |
SN3O3C17H29 |
AB3C3D17E29 |
-150.5 |
4.83 |
-9.13 |
0.58 |
0 |
|
|
366998 |
127322546 |
1 |
SN3O4C17H25 |
AB3C4D17E25 |
-163.17 |
2.61 |
-8.66 |
0.12 |
0 |
|
|
366999 |
127322547 |
3 |
NOC7H11 |
ABC7D11 |
-123.52 |
3.75 |
-9.01 |
-0.01 |
0 |
|
|
367000 |
127322548 |
1 |
ON5C22H33 |
AB5C22D33 |
-18.55 |
5.04 |
-8.31 |
-0.03 |
0 |
|
|
367001 |
127322549 |
1 |
ON5C19H31 |
AB5C19D31 |
-30.27 |
3.34 |
-8.33 |
-0.23 |
0 |
|
|
367002 |
127322550 |
1 |
ON4C22H30 |
AB4C22D30 |
-19.17 |
3.21 |
-8.94 |
-0.16 |
0 |
|
|
367003 |
127322609 |
1 |
ON2C14H24 |
AB2C14D24 |
-52.25 |
3.79 |
-8.93 |
1.22 |
0 |
|
|
367004 |
127322610 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-105.63 |
2.75 |
-8.99 |
0.83 |
0 |
|
|
367005 |
127322611 |
1 |
ON5C22H29 |
AB5C22D29 |
10.19 |
3.05 |
-8.91 |
-0.31 |
0 |
|
|
367006 |
127322612 |
1 |
SN2O3C21H32 |
AB2C3D21E32 |
-135.02 |
3.53 |
-8.94 |
0.36 |
0 |
|
|
367007 |
127322613 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-106.95 |
1.2 |
-8.96 |
0.86 |
0 |
|
|
367008 |
127322614 |
1 |
ON2C13H24 |
AB2C13D24 |
-64.0 |
3.74 |
-8.38 |
1.23 |
0 |
|
|
367009 |
127322864 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-69.93 |
1.43 |
-8.9 |
-0.89 |
0 |
|
|
367010 |
127322865 |
1 |
O2N5C15H21 |
A2B5C15D21 |
-30.29 |
4.68 |
-8.71 |
-1.03 |
0 |
|
|
367011 |
127322866 |
1 |
SO3N4C18H28 |
AB3C4D18E28 |
-116.66 |
2.19 |
-8.34 |
0.19 |
0 |
|
|
367012 |
127322867 |
1 |
N3O4C21H33 |
A3B4C21D33 |
-195.78 |
7.21 |
-8.88 |
0.87 |
0 |
|
|
367013 |
127322868 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-132.45 |
2.52 |
-9.06 |
-0.8 |
0 |
|
|
367014 |
127322869 |
4 |
NOC5H7 |
ABC5D7 |
-152.23 |
1.41 |
-9.21 |
-0.8 |
0 |
|
|
367015 |
127322870 |
1 |
N3O3C19H33 |
A3B3C19D33 |
-154.16 |
2.6 |
-8.7 |
0.71 |
0 |
|
|
367016 |
127322871 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-122.41 |
1.56 |
-8.66 |
0.0 |
0 |
|
|
367017 |
127322949 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-81.16 |
6.75 |
-9.19 |
-0.28 |
0 |
|
|
367018 |
127322950 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-89.5 |
3.84 |
-9.14 |
-0.72 |
0 |
|
|
367019 |
127322951 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-124.23 |
7.78 |
-9.18 |
0.84 |
0 |
|
|
367020 |
127322952 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-23.68 |
4.6 |
-9.41 |
-0.15 |
0 |
|
|
367021 |
127322953 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-84.26 |
4.0 |
-9.7 |
0.54 |
0 |
|
|
367022 |
127322954 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-100.42 |
5.28 |
-9.01 |
-0.77 |
0 |
|
|
367023 |
127322955 |
1 |
O3N4C19H34 |
A3B4C19D34 |
-143.94 |
7.54 |
-8.72 |
0.59 |
0 |
|
|
367024 |
127322956 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-56.73 |
6.4 |
-9.25 |
0.28 |
0 |
|
|
367025 |
127322957 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-80.97 |
7.52 |
-9.24 |
0.06 |
0 |
|
|
367026 |
127322958 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-144.39 |
3.36 |
-9.24 |
0.77 |
0 |
|
|
367027 |
127322959 |
1 |
FN2O4C18H23 |
AB2C4D18E23 |
-204.5 |
2.36 |
-9.18 |
-0.53 |
0 |
|
|
367028 |
127322960 |
1 |
SO2N6C16H20 |
AB2C6D16E20 |
33.73 |
4.89 |
-8.8 |
-0.76 |
0 |
|
|
367029 |
127322961 |
1 |
SO3N5C18H25 |
AB3C5D18E25 |
-71.16 |
2.6 |
-8.9 |
-0.68 |
0 |
|
|
367030 |
127322962 |
1 |
O2N3C23H29 |
A2B3C23D29 |
-66.71 |
8.08 |
-9.24 |
-0.65 |
0 |
|
|
367031 |
127322963 |
1 |
N2O4C21H28 |
A2B4C21D28 |
-155.28 |
3.67 |
-8.55 |
0.14 |
0 |
|
|
367032 |
127322964 |
2 |
N2O2C9H15 |
A2B2C9D15 |
-199.48 |
2.36 |
-9.38 |
0.48 |
0 |
|
|
367033 |
127322965 |
1 |
SN2O4C18H22 |
AB2C4D18E22 |
-133.47 |
6.98 |
-8.9 |
-0.65 |
0 |
|
|
367034 |
127322966 |
1 |
SN3O3C14H21 |
AB3C3D14E21 |
-113.76 |
4.86 |
-10.09 |
-0.93 |
0 |
|
|
367035 |
127322967 |
1 |
N3O3C17H29 |
A3B3C17D29 |
-148.92 |
8.19 |
-8.8 |
0.73 |
0 |
|
|
367036 |
127322968 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-81.66 |
4.94 |
-8.71 |
-0.07 |
0 |
|
|
367037 |
127322969 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-63.6 |
7.88 |
-8.57 |
-0.22 |
0 |
|
|
367038 |
127322970 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-21.46 |
1.72 |
-9.6 |
-0.81 |
0 |
|
|
367039 |
127322971 |
1 |
O2N3C15H25 |
A2B3C15D25 |
-101.46 |
2.99 |
-8.8 |
0.81 |
0 |
|
|
367040 |
127322972 |
1 |
ON5C13H21 |
AB5C13D21 |
3.87 |
2.26 |
-9.12 |
-0.08 |
0 |
|
|
367041 |
127322973 |
1 |
ON5C13H19 |
AB5C13D19 |
0.6 |
2.28 |
-8.96 |
-0.82 |
0 |
|
|
367042 |
127322974 |
1 |
SO2N4C18H26 |
AB2C4D18E26 |
-48.3 |
6.3 |
-8.48 |
-0.82 |
0 |
|
|
367043 |
127323000 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-117.03 |
2.11 |
-8.81 |
-0.36 |
0 |
|
|
367044 |
127323001 |
1 |
FSN3O3C19H24 |
ABC3D3E19F24 |
-169.54 |
4.44 |
-9.32 |
-0.23 |
0 |
|
|
367045 |
127323002 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-140.15 |
6.22 |
-9.33 |
-1.37 |
0 |
|
|
367046 |
127323003 |
1 |
N3O4C15H25 |
A3B4C15D25 |
-195.54 |
2.38 |
-9.33 |
0.51 |
0 |
|
|
367047 |
127323004 |
1 |
O2N3C22H33 |
A2B3C22D33 |
-99.02 |
3.68 |
-9.02 |
0.31 |
0 |
|
|
367048 |
127323005 |
1 |
SO4N5C14H23 |
AB4C5D14E23 |
-152.63 |
7.89 |
-9.61 |
0.08 |
0 |
|
|
367049 |
127323006 |
1 |
N3O3C12H19 |
A3B3C12D19 |
-148.98 |
3.57 |
-9.73 |
0.5 |
0 |
|
|
367050 |
127323033 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-108.64 |
5.6 |
-9.06 |
-0.4 |
0 |
|
|
367051 |
127323034 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-57.24 |
7.07 |
-8.83 |
-0.2 |
0 |
|
|
367052 |
127323035 |
1 |
SO2N4C20H30 |
AB2C4D20E30 |
-72.31 |
4.06 |
-8.74 |
-0.19 |
0 |
|
|
367053 |
127323036 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-112.73 |
3.75 |
-8.85 |
-0.23 |
0 |
|
|
367054 |
127323037 |
1 |
O2N3C12H23 |
A2B3C12D23 |
-110.14 |
2.04 |
-9.18 |
1.31 |
0 |
|
|
367055 |
127323038 |
2 |
NOC7H9 |
ABC7D9 |
-51.07 |
1.53 |
-8.59 |
-0.29 |
0 |
|
|
367056 |
127323039 |
1 |
ClN3C12H14 |
AB3C12D14 |
40.6 |
5.13 |
-9.01 |
-1.02 |
0 |
|
|
367057 |
127323040 |
1 |
ON4C18H30 |
AB4C18D30 |
-45.77 |
5.58 |
-8.62 |
0.26 |
0 |
|
|
367058 |
127323043 |
1 |
O2N3C20H21 |
A2B3C20D21 |
-21.75 |
3.67 |
-8.69 |
-0.31 |
0 |
|
|
367059 |
127323044 |
1 |
ON4C20H20 |
AB4C20D20 |
48.32 |
4.6 |
-8.23 |
-0.34 |
0 |
|
|
367060 |
127323045 |
1 |
OSN4H12C13 |
ABC4D12E13 |
82.7 |
5.04 |
-8.9 |
-0.82 |
0 |
|
|
367061 |
127323046 |
1 |
SO2N5C17H19 |
AB2C5D17E19 |
51.28 |
3.53 |
-9.14 |
-1.05 |
0 |
|
|
367062 |
127323047 |
2 |
NOC7H9 |
ABC7D9 |
-49.49 |
1.12 |
-8.56 |
-0.27 |
0 |
|
|
367063 |
127323048 |
1 |
ON4C18H30 |
AB4C18D30 |
-48.08 |
2.36 |
-8.58 |
0.33 |
0 |
|
|
367064 |
127323049 |
2 |
NOC7H9 |
ABC7D9 |
-51.49 |
1.77 |
-8.6 |
-0.3 |
0 |
|
|
367065 |
127323050 |
2 |
ON2C10H14 |
AB2C10D14 |
-71.49 |
2.71 |
-8.66 |
-0.27 |
0 |
|
|
367066 |
127323051 |
2 |
OSN2C7H7 |
ABC2D7E7 |
33.59 |
5.65 |
-8.86 |
-1.4 |
0 |
|
|
367067 |
127323052 |
1 |
ON5C19H23 |
AB5C19D23 |
7.18 |
2.0 |
-8.88 |
-0.08 |
0 |
|
|
367068 |
127323053 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-70.16 |
2.14 |
-8.64 |
-0.26 |
0 |
|
|
367069 |
127323054 |
1 |
O2F3N7H12C13 |
A2B3C7D12E13 |
-138.62 |
6.99 |
-9.61 |
-1.43 |
0 |
|
|
367070 |
127323055 |
1 |
O3N4C15H16 |
A3B4C15D16 |
-9.05 |
2.35 |
-8.72 |
-0.57 |
0 |
|
|
367071 |
127323058 |
1 |
S2O3N4C16H18 |
A2B3C4D16E18 |
-36.37 |
5.72 |
-8.45 |
-1.18 |
0 |
|
|
367072 |
127323059 |
1 |
O2N4C15H24 |
A2B4C15D24 |
-63.95 |
4.22 |
-8.93 |
0.0 |
0 |
|
|
367073 |
127323060 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-70.44 |
2.42 |
-8.67 |
-0.28 |
0 |
|
|
367074 |
127323061 |
2 |
ON2C10H14 |
AB2C10D14 |
-52.36 |
3.78 |
-8.51 |
-0.15 |
0 |
|
|
367075 |
127323062 |
1 |
ON5C19H23 |
AB5C19D23 |
26.35 |
4.36 |
-8.79 |
-0.4 |
0 |
|
|
367076 |
127323063 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-34.94 |
2.76 |
-8.8 |
-0.42 |
0 |
|
|
367077 |
127323064 |
1 |
ON3C15H21 |
AB3C15D21 |
1.17 |
3.31 |
-8.36 |
-0.01 |
0 |
|
|
367078 |
127323131 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-123.64 |
3.65 |
-8.05 |
0.32 |
0 |
|
|
367079 |
127323132 |
1 |
ON5C19H31 |
AB5C19D31 |
-35.76 |
6.45 |
-8.98 |
0.84 |
0 |
|
|
367080 |
127323133 |
1 |
SO2N4C20H30 |
AB2C4D20E30 |
-76.15 |
4.01 |
-8.59 |
-0.29 |
0 |
|
|
367081 |
127323134 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-61.55 |
6.46 |
-8.79 |
-0.78 |
0 |
|
|
367082 |
127323135 |
1 |
O2N3C24H35 |
A2B3C24D35 |
-105.99 |
1.88 |
-8.96 |
0.27 |
0 |
|
|
367083 |
127323136 |
1 |
ON5C22H31 |
AB5C22D31 |
1.78 |
6.73 |
-9.04 |
-0.13 |
0 |
|
|
367084 |
127323137 |
1 |
ON5C20H33 |
AB5C20D33 |
-40.29 |
3.46 |
-8.98 |
0.7 |
0 |
|
|
367085 |
127323138 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-155.21 |
4.39 |
-8.34 |
-0.09 |
0 |
|
|
367086 |
127323139 |
2 |
ON2C11H15 |
AB2C11D15 |
-70.68 |
6.76 |
-8.76 |
-0.76 |
0 |
|
|
367087 |
127323140 |
1 |
O2N4C23H32 |
A2B4C23D32 |
-48.84 |
1.05 |
-8.88 |
-0.63 |
0 |
|
|
367088 |
127323141 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-132.07 |
5.15 |
-8.72 |
0.24 |
0 |
|
|
367089 |
127323142 |
1 |
O2N3C24H35 |
A2B3C24D35 |
-89.5 |
3.57 |
-9.02 |
0.39 |
0 |
|
|
367090 |
127323143 |
1 |
O2N3C20H35 |
A2B3C20D35 |
-139.62 |
3.82 |
-8.99 |
0.94 |
0 |
|
|
367091 |
127323144 |
1 |
O3N4C18H26 |
A3B4C18D26 |
-100.33 |
3.03 |
-8.34 |
-0.1 |
0 |