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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
423053 |
135118844 |
1 |
SN2O3C18H28 |
AB2C3D18E28 |
-132.66 |
5.08 |
-8.74 |
-0.37 |
0 |
|
|
423054 |
135118846 |
1 |
SO5N8C32H46 |
AB5C8D32E46 |
-49.7 |
12.71 |
-7.98 |
-1.75 |
0 |
|
|
423055 |
135118848 |
1 |
ON4C19H22 |
AB4C19D22 |
25.83 |
5.5 |
-8.6 |
-0.32 |
0 |
|
|
423056 |
135118849 |
1 |
O7N9C41H53 |
A7B9C41D53 |
-232.52 |
9.04 |
-8.51 |
-0.46 |
0 |
|
|
423057 |
135118850 |
1 |
O7N11C43H53 |
A7B11C43D53 |
-173.51 |
7.59 |
-8.4 |
-1.57 |
0 |
|
|
423058 |
135118851 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-189.58 |
5.41 |
-8.92 |
0.17 |
0 |
|
|
423059 |
135118855 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-194.29 |
1.51 |
-8.93 |
0.21 |
0 |
|
|
423061 |
135118858 |
1 |
N2O2C19H24 |
A2B2C19D24 |
-62.9 |
4.18 |
-8.76 |
-0.18 |
0 |
|
|
423062 |
135118859 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-125.29 |
3.21 |
-9.15 |
1.02 |
0 |
|
|
423063 |
135118860 |
1 |
N5O8C36H49 |
A5B8C36D49 |
-282.37 |
11.61 |
-8.46 |
-0.73 |
0 |
|
|
423064 |
135118861 |
1 |
O2N5C18H23 |
A2B5C18D23 |
-13.72 |
6.55 |
-8.63 |
-0.04 |
0 |
|
|
423065 |
135118864 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-160.62 |
5.07 |
-8.64 |
-0.09 |
0 |
|
|
423066 |
135118865 |
1 |
SN2O3C13H20 |
AB2C3D13E20 |
-109.0 |
5.52 |
-9.22 |
-0.33 |
0 |
|
|
423067 |
135118866 |
1 |
N2O3C23H32 |
A2B3C23D32 |
-84.06 |
4.77 |
-8.53 |
0.2 |
0 |
|
|
423068 |
135118867 |
1 |
O2N6C23H30 |
A2B6C23D30 |
-19.41 |
3.37 |
-8.6 |
-0.28 |
0 |
|
|
423069 |
135118868 |
1 |
NS2O5C15H21 |
AB2C5D15E21 |
-183.19 |
10.13 |
-9.7 |
-1.12 |
0 |
|
|
423070 |
135118869 |
1 |
ClO2N4C18H27 |
AB2C4D18E27 |
-36.61 |
4.68 |
-8.48 |
-0.14 |
0 |
|
|
423071 |
135118870 |
2 |
ON2C9H12 |
AB2C9D12 |
22.21 |
5.48 |
-8.64 |
-0.55 |
0 |
|
|
423072 |
135118871 |
1 |
FON4C14H15 |
ABC4D14E15 |
-14.78 |
2.61 |
-9.25 |
-0.65 |
0 |
|
|
423073 |
135118872 |
1 |
NCl2S2O5C10H11 |
AB2C2D5E10F11 |
-189.97 |
7.78 |
-9.86 |
-1.73 |
0 |
|
|
423074 |
135118873 |
1 |
N3O4C23H33 |
A3B4C23D33 |
-168.35 |
4.5 |
-8.79 |
0.28 |
0 |
|
|
423075 |
135118874 |
1 |
NOC23H29 |
ABC23D29 |
-18.2 |
3.16 |
-8.65 |
0.3 |
0 |
|
|
423076 |
135118876 |
1 |
FN4O6C35H39 |
AB4C6D35E39 |
-231.52 |
10.18 |
-9.02 |
-0.96 |
0 |
|
|
423077 |
135118878 |
1 |
N3O3C11H19 |
A3B3C11D19 |
-118.51 |
4.11 |
-9.48 |
0.25 |
0 |
|
|
423078 |
135118882 |
1 |
ON4C23H30 |
AB4C23D30 |
-12.74 |
5.08 |
-8.35 |
-0.31 |
0 |
|
|
423079 |
135118883 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-107.84 |
7.53 |
-9.07 |
-0.81 |
0 |
|
|
423080 |
135118887 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-51.34 |
5.5 |
-8.85 |
-0.36 |
0 |
|
|
423081 |
135118900 |
1 |
ClN6C19H25 |
AB6C19D25 |
79.71 |
3.13 |
-8.5 |
-0.59 |
0 |
|
|
423082 |
135118905 |
1 |
O3N5C18H25 |
A3B5C18D25 |
-57.92 |
3.59 |
-9.03 |
-0.16 |
0 |
|
|
423083 |
135118906 |
1 |
F3O3N4C22H25 |
A3B3C4D22E25 |
-233.56 |
3.98 |
-8.91 |
-0.48 |
0 |
|
|
423084 |
135118907 |
1 |
ON4C21H26 |
AB4C21D26 |
19.05 |
4.86 |
-8.4 |
0.0 |
0 |
|
|
423085 |
135118914 |
1 |
FON6C12H17 |
ABC6D12E17 |
-6.84 |
3.39 |
-9.05 |
-0.47 |
0 |
|
|
423086 |
135118915 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-49.75 |
4.25 |
-8.52 |
0.19 |
0 |
|
|
423087 |
135118916 |
1 |
N3O3C11H19 |
A3B3C11D19 |
-121.47 |
5.74 |
-9.8 |
-0.05 |
0 |
|
|
423088 |
135118917 |
1 |
O5N7C34H43 |
A5B7C34D43 |
-159.0 |
6.88 |
-9.65 |
-0.81 |
0 |
|
|
423089 |
135118923 |
1 |
ON6C15H20 |
AB6C15D20 |
42.23 |
8.6 |
-8.96 |
-0.77 |
0 |
|
|
423090 |
135118932 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-61.87 |
7.94 |
-9.59 |
-1.2 |
0 |
|
|
423091 |
135118933 |
2 |
ON2C10H15 |
AB2C10D15 |
-69.78 |
5.89 |
-9.07 |
-0.22 |
0 |
|
|
423092 |
135118935 |
1 |
SO4N9C37H53 |
AB4C9D37E53 |
-117.52 |
6.07 |
-9.28 |
-0.94 |
0 |
|
|
423093 |
135118936 |
1 |
FN2O4C19H19 |
AB2C4D19E19 |
-114.05 |
1.96 |
-9.04 |
-1.42 |
0 |
|
|
423094 |
135118937 |
1 |
ClNO4C23H28 |
ABC4D23E28 |
-158.69 |
7.76 |
-8.91 |
-0.25 |
0 |
|
|
423095 |
135118938 |
1 |
ON4C23H30 |
AB4C23D30 |
-14.03 |
4.88 |
-9.12 |
-0.66 |
0 |
|
|
423096 |
135118939 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-66.34 |
4.26 |
-8.98 |
0.31 |
0 |
|
|
423097 |
135118940 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-41.99 |
5.45 |
-9.63 |
-0.43 |
0 |
|
|
423100 |
135118943 |
1 |
ClO2N4C18H25 |
AB2C4D18E25 |
-47.94 |
1.17 |
-8.73 |
-0.23 |
0 |
|
|
423101 |
135118945 |
1 |
SO2N3C17H27 |
AB2C3D17E27 |
-92.83 |
4.45 |
-9.15 |
-0.74 |
0 |
|
|
423102 |
135118946 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-111.48 |
2.17 |
-9.5 |
-0.81 |
0 |
|
|
423103 |
135118947 |
1 |
ON5C22H35 |
AB5C22D35 |
-32.65 |
5.01 |
-8.34 |
0.25 |
0 |
|
|
423105 |
135118949 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-132.58 |
3.39 |
-9.54 |
-0.5 |
0 |
|
|
423106 |
135118950 |
1 |
N3C20H29 |
A3B20C29 |
25.29 |
2.93 |
-8.32 |
0.18 |
0 |
|
|
423107 |
135118951 |
1 |
Cl2N2O3C17H20 |
A2B2C3D17E20 |
-125.38 |
4.27 |
-9.39 |
-0.77 |
0 |
|
|
423108 |
135118953 |
1 |
NO3C20H27 |
AB3C20D27 |
-135.92 |
2.44 |
-9.25 |
-0.64 |
0 |
|
|
423109 |
135118954 |
1 |
S2O7N8C35H46 |
A2B7C8D35E46 |
-166.88 |
9.78 |
-8.33 |
-0.73 |
0 |
|
|
423110 |
135118956 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-36.77 |
2.7 |
-9.0 |
-0.78 |
0 |
|
|
423111 |
135118957 |
1 |
FN2O4C17H19 |
AB2C4D17E19 |
-136.57 |
2.33 |
-8.98 |
-1.39 |
0 |
|
|
423112 |
135118958 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-120.28 |
2.7 |
-8.14 |
-0.59 |
0 |
|
|
423113 |
135118959 |
1 |
O3N4C20H22 |
A3B4C20D22 |
-56.63 |
3.06 |
-9.29 |
-0.9 |
0 |
|
|
423114 |
135118960 |
1 |
O4N7C29H35 |
A4B7C29D35 |
-81.58 |
4.74 |
-8.47 |
-0.6 |
0 |
|
|
423115 |
135118962 |
1 |
SN7C14H15 |
AB7C14D15 |
137.53 |
4.46 |
-8.43 |
-1.5 |
0 |
|
|
423116 |
135118963 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-78.11 |
4.69 |
-9.41 |
-0.29 |
0 |
|
|
423117 |
135118965 |
1 |
NO2C18H27 |
AB2C18D27 |
-92.45 |
0.22 |
-8.37 |
0.66 |
0 |
|
|
423118 |
135118966 |
1 |
ON5C15H21 |
AB5C15D21 |
16.53 |
0.26 |
-8.95 |
-0.84 |
0 |
|
|
423119 |
135118967 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-128.88 |
6.76 |
-9.24 |
-0.61 |
0 |
|
|
423120 |
135118968 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-82.17 |
6.64 |
-9.52 |
-0.79 |
0 |
|
|
423121 |
135118969 |
1 |
FN3O5H20C21 |
AB3C5D20E21 |
-138.59 |
4.42 |
-9.36 |
-1.46 |
0 |
|
|
423122 |
135118970 |
1 |
ON2C17H30 |
AB2C17D30 |
-30.4 |
2.17 |
-8.6 |
1.25 |
0 |
|
|
423123 |
135118971 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-89.04 |
5.1 |
-8.62 |
-0.77 |
0 |
|
|
423124 |
135118972 |
1 |
ON4C17H28 |
AB4C17D28 |
-21.78 |
6.48 |
-9.03 |
0.64 |
0 |
|
|
423125 |
135118973 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-88.1 |
4.69 |
-9.42 |
-0.72 |
0 |
|
|
423126 |
135118974 |
1 |
N7C15H21 |
A7B15C21 |
82.52 |
1.42 |
-8.34 |
-0.2 |
0 |
|
|
423127 |
135118975 |
1 |
SN2O2C19H28 |
AB2C2D19E28 |
-87.75 |
4.54 |
-8.89 |
-0.44 |
0 |
|
|
423128 |
135118976 |
1 |
ClNSO3C19H20 |
ABCD3E19F20 |
-88.52 |
4.0 |
-9.18 |
-0.48 |
0 |
|
|
423129 |
135118977 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-91.88 |
3.57 |
-8.42 |
-0.33 |
0 |
|
|
423130 |
135118978 |
1 |
OSN5C19H21 |
ABC5D19E21 |
37.29 |
2.36 |
-8.6 |
-0.87 |
0 |
|
|
423131 |
135118979 |
1 |
O2N3H21C22 |
A2B3C21D22 |
12.54 |
3.33 |
-8.84 |
-1.03 |
0 |
|
|
423132 |
135118981 |
1 |
N2O4C13H20 |
A2B4C13D20 |
-129.81 |
9.18 |
-9.23 |
-0.23 |
0 |
|
|
423133 |
135118982 |
1 |
OSN3C16H19 |
ABC3D16E19 |
3.15 |
3.76 |
-8.91 |
-0.22 |
0 |
|
|
423134 |
135118983 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-80.02 |
5.19 |
-9.13 |
-0.51 |
0 |
|
|
423136 |
135118985 |
1 |
O6N9C35H43 |
A6B9C35D43 |
-120.48 |
9.93 |
-8.89 |
-0.69 |
0 |
|
|
423137 |
135118986 |
1 |
FOSN5C18H18 |
ABCD5E18F18 |
-6.1 |
4.45 |
-9.05 |
-0.99 |
0 |
|
|
423138 |
135118988 |
1 |
ClN5C13H16 |
AB5C13D16 |
70.58 |
3.19 |
-9.23 |
-0.57 |
0 |
|
|
423139 |
135118989 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-72.23 |
8.88 |
-8.97 |
-0.04 |
0 |
|
|
423140 |
135118994 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-26.39 |
5.13 |
-9.23 |
-0.6 |
0 |
|
|
423141 |
135118997 |
1 |
O2N5C19H25 |
A2B5C19D25 |
-33.28 |
4.42 |
-8.57 |
-0.62 |
0 |
|
|
423142 |
135119000 |
1 |
ON3C17H27 |
AB3C17D27 |
-43.04 |
2.45 |
-8.99 |
-0.11 |
0 |
|
|
423143 |
135119001 |
2 |
ON2C7H11 |
AB2C7D11 |
4.44 |
1.96 |
-8.96 |
0.76 |
0 |
|
|
423144 |
135119005 |
1 |
SN2O3C20H26 |
AB2C3D20E26 |
-93.48 |
9.03 |
-9.81 |
-0.69 |
0 |
|
|
423145 |
135119007 |
1 |
SN2O6C18H28 |
AB2C6D18E28 |
-227.09 |
5.39 |
-8.22 |
0.1 |
0 |
|
|
423146 |
135119008 |
1 |
O2N4C15H26 |
A2B4C15D26 |
-92.53 |
3.38 |
-9.26 |
0.78 |
0 |
|
|
423147 |
135119009 |
1 |
ON5C17H29 |
AB5C17D29 |
-32.06 |
3.36 |
-8.78 |
0.21 |
0 |
|
|
423148 |
135119010 |
1 |
FO2N4C18H21 |
AB2C4D18E21 |
-68.57 |
3.23 |
-9.26 |
-0.6 |
0 |
|
|
423149 |
135119016 |
1 |
N5O6C28H41 |
A5B6C28D41 |
-266.13 |
9.12 |
-9.59 |
-0.15 |
0 |
|
|
423150 |
135119019 |
1 |
SN2O4C18H22 |
AB2C4D18E22 |
-114.85 |
7.94 |
-9.65 |
-0.62 |
0 |
|
|
423152 |
135119021 |
1 |
ON5C16H23 |
AB5C16D23 |
25.32 |
2.58 |
-8.7 |
-0.07 |
0 |
|
|
423153 |
135119022 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-102.18 |
1.44 |
-8.4 |
-0.04 |
0 |
|
|
423154 |
135119023 |
1 |
ON4C13H18 |
AB4C13D18 |
9.83 |
5.17 |
-8.8 |
-0.42 |
0 |
|
|
423155 |
135119027 |
1 |
O4N6C25H36 |
A4B6C25D36 |
-125.68 |
7.67 |
-9.44 |
-0.34 |
0 |
|
|
423156 |
135119028 |
1 |
ON5C17H21 |
AB5C17D21 |
24.49 |
3.98 |
-8.41 |
-0.35 |
0 |
|
|
423157 |
135119029 |
1 |
SN5C18H21 |
AB5C18D21 |
77.2 |
5.32 |
-8.72 |
-0.62 |
0 |
|
|
423158 |
135119030 |
1 |
O3N4H22C24 |
A3B4C22D24 |
-38.46 |
6.68 |
-9.42 |
-1.06 |
0 |