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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
70952 |
48414092 |
1 |
ON3C19H19 |
AB3C19D19 |
26.39 |
1.99 |
-9.27 |
-0.18 |
0 |
|
|
70953 |
48414094 |
1 |
O2N3H17C19 |
A2B3C17D19 |
-1.25 |
1.2 |
-8.91 |
-0.32 |
0 |
|
|
70954 |
48414095 |
1 |
ON4H18C21 |
AB4C18D21 |
67.1 |
6.24 |
-9.2 |
-1.01 |
0 |
|
|
70955 |
48414096 |
1 |
SO3N4C15H20 |
AB3C4D15E20 |
-78.12 |
9.36 |
-9.24 |
-0.85 |
0 |
|
|
70956 |
48414097 |
1 |
SN4O4C18H24 |
AB4C4D18E24 |
-115.72 |
4.15 |
-9.52 |
-1.07 |
0 |
|
|
70957 |
48414100 |
1 |
O2N5H19C21 |
A2B5C19D21 |
30.64 |
4.05 |
-9.22 |
-0.92 |
0 |
|
|
70958 |
48414101 |
2 |
ON2C9H12 |
AB2C9D12 |
-59.36 |
5.48 |
-9.36 |
-0.29 |
0 |
|
|
70959 |
48414103 |
1 |
FO2N4C17H21 |
AB2C4D17E21 |
-94.18 |
6.86 |
-9.38 |
-0.79 |
0 |
|
|
70960 |
48414104 |
1 |
SO3N4C17H22 |
AB3C4D17E22 |
-74.35 |
5.43 |
-9.4 |
-0.61 |
0 |
|
|
70961 |
48414105 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-91.44 |
4.66 |
-9.3 |
-0.38 |
0 |
|
|
70962 |
48414107 |
1 |
ON4C18H18 |
AB4C18D18 |
34.98 |
2.1 |
-8.36 |
-0.44 |
0 |
|
|
70963 |
48414108 |
1 |
O3N5C16H19 |
A3B5C16D19 |
2.15 |
7.39 |
-8.95 |
-0.92 |
0 |
|
|
70964 |
48414109 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-55.8 |
3.11 |
-8.87 |
-0.18 |
0 |
|
|
70965 |
48414110 |
1 |
O2N5C23H23 |
A2B5C23D23 |
34.6 |
4.97 |
-8.59 |
-0.69 |
0 |
|
|
70966 |
48414112 |
1 |
O3N5C23H23 |
A3B5C23D23 |
5.68 |
8.15 |
-8.37 |
-0.52 |
0 |
|
|
70967 |
48414114 |
1 |
SN4O4C19H24 |
AB4C4D19E24 |
-109.27 |
9.42 |
-9.29 |
-0.82 |
0 |
|
|
70968 |
48414118 |
1 |
O3N7C14H17 |
A3B7C14D17 |
-57.13 |
5.13 |
-9.3 |
-0.7 |
0 |
|
|
70969 |
48414122 |
1 |
ClOF3N5C17H19 |
ABC3D5E17F19 |
-156.75 |
5.19 |
-8.91 |
-0.79 |
0 |
|
|
70970 |
48414123 |
1 |
O3N5C17H21 |
A3B5C17D21 |
2.56 |
6.04 |
-8.88 |
-0.67 |
0 |
|
|
70971 |
48414127 |
1 |
ClN3O3C17H22 |
AB3C3D17E22 |
-87.92 |
7.12 |
-8.66 |
-0.33 |
0 |
|
|
70972 |
48414128 |
2 |
ON2C8H8 |
AB2C8D8 |
1.14 |
5.06 |
-9.24 |
-0.72 |
0 |
|
|
70973 |
48414129 |
1 |
O3N5C18H23 |
A3B5C18D23 |
-11.84 |
8.0 |
-9.03 |
-1.05 |
0 |
|
|
70974 |
48414130 |
1 |
SO2N4H14C17 |
AB2C4D14E17 |
35.82 |
2.83 |
-9.29 |
-1.46 |
0 |
|
|
70975 |
48414131 |
1 |
SO3N4C16H22 |
AB3C4D16E22 |
-77.07 |
1.79 |
-9.64 |
-0.78 |
0 |
|
|
70976 |
48414132 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-30.7 |
5.68 |
-8.91 |
-0.14 |
0 |
|
|
70977 |
48414133 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-63.89 |
3.03 |
-9.44 |
-0.33 |
0 |
|
|
70978 |
48414135 |
1 |
O2N5C17H19 |
A2B5C17D19 |
-6.12 |
5.12 |
-9.21 |
-0.87 |
0 |
|
|
70979 |
48414137 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-34.3 |
4.69 |
-9.4 |
0.23 |
0 |
|
|
70980 |
48414139 |
1 |
OCl2N5C17H17 |
AB2C5D17E17 |
33.53 |
5.59 |
-9.53 |
-0.56 |
0 |
|
|
70981 |
48414140 |
1 |
N4O4H22C23 |
A4B4C22D23 |
-76.73 |
7.74 |
-9.1 |
-1.34 |
0 |
|
|
70982 |
48414141 |
1 |
SN4O4C18H24 |
AB4C4D18E24 |
-117.15 |
8.86 |
-9.63 |
-0.7 |
0 |
|
|
70983 |
48414142 |
1 |
SO3N4C17H24 |
AB3C4D17E24 |
-89.84 |
2.23 |
-9.55 |
-0.7 |
0 |
|
|
70984 |
48414144 |
1 |
SO3N6C19H26 |
AB3C6D19E26 |
-60.36 |
5.44 |
-9.45 |
-0.73 |
0 |
|
|
70985 |
48414145 |
1 |
O3N4C14H18 |
A3B4C14D18 |
-98.04 |
3.83 |
-9.35 |
-0.04 |
0 |
|
|
70986 |
48414146 |
2 |
ON2C9H11 |
AB2C9D11 |
-40.54 |
6.1 |
-9.23 |
0.3 |
0 |
|
|
70987 |
48414147 |
1 |
O3N5C16H23 |
A3B5C16D23 |
-117.06 |
7.6 |
-9.38 |
-0.26 |
0 |
|
|
70988 |
48414148 |
1 |
O2N5C15H15 |
A2B5C15D15 |
-5.34 |
4.08 |
-9.35 |
-0.93 |
0 |
|
|
70989 |
48414149 |
1 |
ClON5C18H20 |
ABC5D18E20 |
31.91 |
6.21 |
-9.41 |
-0.19 |
0 |
|
|
70990 |
48414150 |
1 |
ClFON5H15C16 |
ABCD5E15F16 |
-1.61 |
1.97 |
-9.46 |
-1.0 |
0 |
|
|
70991 |
48414151 |
1 |
O3N4H18C21 |
A3B4C18D21 |
-29.87 |
1.61 |
-9.64 |
-1.67 |
0 |
|
|
70992 |
48414152 |
1 |
FO2N4C18H21 |
AB2C4D18E21 |
-86.8 |
2.87 |
-9.46 |
-0.35 |
0 |
|
|
70993 |
48414153 |
1 |
O3N5C15H17 |
A3B5C15D17 |
20.55 |
10.01 |
-9.23 |
-1.18 |
0 |
|
|
70994 |
48414154 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-56.54 |
5.46 |
-8.81 |
-0.4 |
0 |
|
|
70995 |
48414157 |
1 |
O2N5H21C22 |
A2B5C21D22 |
50.02 |
5.6 |
-8.63 |
-0.61 |
0 |
|
|
70996 |
48414158 |
1 |
O3N5C13H15 |
A3B5C13D15 |
-0.72 |
6.36 |
-9.26 |
-1.2 |
0 |
|
|
70997 |
48414159 |
1 |
ClN3O3C18H24 |
AB3C3D18E24 |
-91.91 |
8.24 |
-8.82 |
-0.44 |
0 |
|
|
70998 |
48414160 |
1 |
SO2N4C16H20 |
AB2C4D16E20 |
-40.84 |
6.71 |
-8.95 |
-0.51 |
0 |
|
|
70999 |
48414163 |
1 |
SN4O4C19H26 |
AB4C4D19E26 |
-121.86 |
6.3 |
-9.17 |
-0.34 |
0 |
|
|
71000 |
48414164 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-53.72 |
5.6 |
-9.21 |
-0.95 |
0 |
|
|
71001 |
48414165 |
1 |
O2N5C15H23 |
A2B5C15D23 |
-28.83 |
1.19 |
-9.41 |
-0.28 |
0 |
|
|
71002 |
48414166 |
1 |
O3N5C17H17 |
A3B5C17D17 |
-59.9 |
11.39 |
-9.28 |
-1.18 |
0 |
|
|
71003 |
48414167 |
1 |
ClION3H11C12 |
ABCD3E11F12 |
23.9 |
5.41 |
-9.72 |
-1.39 |
0 |
|
|
71004 |
48414169 |
1 |
ClION3H11C12 |
ABCD3E11F12 |
22.83 |
6.22 |
-9.6 |
-1.29 |
0 |
|
|
71005 |
48414170 |
1 |
FO2N5C17H18 |
AB2C5D17E18 |
-24.49 |
4.12 |
-9.58 |
-1.16 |
0 |
|
|
71006 |
48414171 |
1 |
Cl2O2N3C14H15 |
A2B2C3D14E15 |
-46.52 |
4.24 |
-9.38 |
-0.6 |
0 |
|
|
71007 |
48414172 |
1 |
BrFO2N3C14H15 |
ABC2D3E14F15 |
-73.56 |
3.05 |
-9.55 |
-0.88 |
0 |
|
|
71008 |
48414173 |
1 |
SO2N5C15H17 |
AB2C5D15E17 |
29.01 |
1.22 |
-9.35 |
-1.06 |
0 |
|
|
71009 |
48414174 |
1 |
FION3H11C12 |
ABCD3E11F12 |
-17.57 |
0.55 |
-9.51 |
-1.46 |
0 |
|
|
71010 |
48414175 |
1 |
O2F3N3C10H14 |
A2B3C3D10E14 |
-221.31 |
3.7 |
-9.7 |
0.36 |
0 |
|
|
71011 |
48414176 |
1 |
OCl2N3C14H15 |
AB2C3D14E15 |
-18.15 |
0.96 |
-9.54 |
-0.45 |
0 |
|
|
71012 |
48414177 |
1 |
O2N5C17H19 |
A2B5C17D19 |
10.05 |
4.56 |
-9.62 |
-0.99 |
0 |
|
|
71013 |
48414178 |
2 |
ON2C9H10 |
AB2C9D10 |
-10.35 |
7.44 |
-9.3 |
-0.88 |
0 |
|
|
71014 |
48414180 |
1 |
BrO3N4C15H15 |
AB3C4D15E15 |
-57.08 |
5.04 |
-8.98 |
-0.78 |
0 |
|
|
71015 |
48414181 |
1 |
OCl2N5C18H19 |
AB2C5D18E19 |
20.76 |
2.71 |
-9.08 |
-0.95 |
0 |
|
|
71016 |
48414182 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-68.89 |
1.75 |
-9.09 |
0.09 |
0 |
|
|
71017 |
48414184 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-88.3 |
7.55 |
-9.44 |
-0.42 |
0 |
|
|
71018 |
48414185 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-70.57 |
4.88 |
-9.01 |
0.06 |
0 |
|
|
71019 |
48414186 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-21.89 |
5.54 |
-8.47 |
-0.28 |
0 |
|
|
71020 |
48414187 |
1 |
ClON5H12C13 |
ABC5D12E13 |
40.92 |
2.5 |
-9.36 |
-0.94 |
0 |
|
|
71021 |
48414188 |
1 |
O2N6C15H16 |
A2B6C15D16 |
41.72 |
5.59 |
-9.82 |
-1.03 |
0 |
|
|
71022 |
48414189 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-41.42 |
10.86 |
-8.72 |
-0.46 |
0 |
|
|
71023 |
48414192 |
2 |
N2O2H8C9 |
A2B2C8D9 |
1.7 |
12.66 |
-9.64 |
-1.42 |
0 |
|
|
71024 |
48414193 |
1 |
ON6C20H26 |
AB6C20D26 |
42.68 |
5.99 |
-8.83 |
-0.57 |
0 |
|
|
71025 |
48414194 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-85.87 |
4.21 |
-9.26 |
0.76 |
0 |
|
|
71026 |
48414195 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-114.14 |
9.16 |
-8.67 |
-0.4 |
0 |
|
|
71027 |
48414196 |
1 |
ON6C20H28 |
AB6C20D28 |
10.62 |
6.41 |
-8.87 |
-0.53 |
0 |
|
|
71028 |
48414197 |
1 |
F2N3O3C14H15 |
A2B3C3D14E15 |
-171.71 |
4.95 |
-9.38 |
-0.62 |
0 |
|
|
71029 |
48414198 |
1 |
ON5C12H17 |
AB5C12D17 |
14.04 |
5.73 |
-9.51 |
0.15 |
0 |
|
|
71030 |
48414199 |
1 |
SO2N5C11H15 |
AB2C5D11E15 |
2.37 |
3.95 |
-9.27 |
-0.65 |
0 |
|
|
71031 |
48414200 |
1 |
SO2N4C18H18 |
AB2C4D18E18 |
-0.33 |
3.7 |
-9.44 |
-0.93 |
0 |
|
|
71032 |
48414201 |
1 |
O2F3N4C18H19 |
A2B3C4D18E19 |
-197.73 |
8.32 |
-9.74 |
-0.47 |
0 |
|
|
71033 |
48414202 |
1 |
O3N5C21H25 |
A3B5C21D25 |
-91.67 |
8.04 |
-8.92 |
-0.33 |
0 |
|
|
71034 |
48414203 |
1 |
BrO2N3C15H18 |
AB2C3D15E18 |
-36.46 |
2.1 |
-9.04 |
-0.17 |
0 |
|
|
71035 |
48414204 |
1 |
O2N5C17H19 |
A2B5C17D19 |
7.28 |
4.54 |
-9.4 |
-0.53 |
0 |
|
|
71036 |
48414205 |
1 |
SN3O3C15H19 |
AB3C3D15E19 |
-75.4 |
4.51 |
-9.89 |
-1.06 |
0 |
|
|
71037 |
48414206 |
1 |
N3O4C18H19 |
A3B4C18D19 |
-61.64 |
2.99 |
-8.6 |
-0.46 |
0 |
|
|
71038 |
48414207 |
1 |
ClO2F3N4H12C13 |
AB2C3D4E12F13 |
-185.54 |
2.07 |
-9.68 |
-1.04 |
0 |
|
|
71039 |
48414209 |
1 |
FON5C18H20 |
ABC5D18E20 |
-13.32 |
4.41 |
-9.05 |
-0.52 |
0 |
|
|
71040 |
48414210 |
1 |
S2O3N4C16H16 |
A2B3C4D16E16 |
-27.5 |
4.05 |
-9.24 |
-1.2 |
0 |
|
|
71041 |
48414211 |
1 |
OF3N6C18H19 |
AB3C6D18E19 |
-107.5 |
6.19 |
-9.6 |
-1.51 |
0 |
|
|
71042 |
48414212 |
1 |
ON6C16H18 |
AB6C16D18 |
56.23 |
4.21 |
-9.37 |
-0.91 |
0 |
|
|
71043 |
48414214 |
1 |
Cl2O2N4C17H18 |
A2B2C4D17E18 |
-51.45 |
4.62 |
-9.47 |
-1.07 |
0 |
|
|
71044 |
48414215 |
1 |
SO2N4C15H16 |
AB2C4D15E16 |
-1.49 |
4.43 |
-8.99 |
-1.09 |
0 |
|
|
71045 |
48414216 |
1 |
FO2N4C17H19 |
AB2C4D17E19 |
-84.4 |
6.48 |
-8.96 |
-0.37 |
0 |
|
|
71046 |
48414217 |
1 |
O2F3N3C14H14 |
A2B3C3D14E14 |
-187.18 |
3.8 |
-9.63 |
-0.79 |
0 |
|
|
71047 |
48414218 |
1 |
O3N5C19H21 |
A3B5C19D21 |
-43.95 |
0.68 |
-9.6 |
-0.99 |
0 |
|
|
71048 |
48414219 |
2 |
FON2C8H8 |
ABC2D8E8 |
-122.03 |
6.66 |
-8.97 |
-0.44 |
0 |
|
|
71049 |
48414220 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
1.72 |
4.71 |
-8.98 |
-0.99 |
0 |
|
|
71050 |
48414222 |
1 |
SO3N4C14H18 |
AB3C4D14E18 |
-60.54 |
6.89 |
-9.27 |
-0.96 |
0 |
|
|
71051 |
48414223 |
1 |
O2N4C11H16 |
A2B4C11D16 |
-42.8 |
2.41 |
-9.54 |
0.49 |
0 |