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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
27023 |
812617 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-29.64 |
5.11 |
-9.55 |
-0.65 |
0 |
|
|
27024 |
812619 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-10.43 |
5.18 |
-9.36 |
-0.37 |
0 |
|
|
27025 |
812830 |
1 |
ClO2N3C17H20 |
AB2C3D17E20 |
-29.16 |
2.6 |
-9.36 |
-0.71 |
0 |
|
|
27026 |
812836 |
1 |
NO5H13C17 |
AB5C13D17 |
-129.42 |
2.33 |
-9.48 |
-1.41 |
0 |
|
|
27027 |
812838 |
1 |
ClO2N3C16H18 |
AB2C3D16E18 |
-16.88 |
4.12 |
-9.59 |
-0.7 |
0 |
|
|
27028 |
812847 |
1 |
N2H14C19 |
A2B14C19 |
85.83 |
0.62 |
-8.52 |
-0.76 |
0 |
|
|
27029 |
812848 |
1 |
ClN3O3C17H20 |
AB3C3D17E20 |
-56.9 |
3.07 |
-9.0 |
-0.75 |
0 |
|
|
27030 |
812849 |
1 |
ClN3O3C17H20 |
AB3C3D17E20 |
-58.29 |
5.45 |
-9.13 |
-0.92 |
0 |
|
|
27031 |
812850 |
1 |
ClN3O3C17H20 |
AB3C3D17E20 |
-58.78 |
4.24 |
-9.01 |
-0.82 |
0 |
|
|
27032 |
812983 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-102.15 |
2.55 |
-8.88 |
-0.2 |
0 |
|
|
27033 |
813067 |
1 |
Cl2O2N3H13C14 |
A2B2C3D13E14 |
-3.04 |
6.14 |
-9.64 |
-0.8 |
0 |
|
|
27034 |
813068 |
1 |
Cl2O2N3H13C14 |
A2B2C3D13E14 |
-3.01 |
5.86 |
-9.65 |
-0.8 |
0 |
|
|
27035 |
813075 |
1 |
NO2C12H17 |
AB2C12D17 |
-84.36 |
4.37 |
-8.91 |
-0.03 |
0 |
|
|
27036 |
813081 |
1 |
O2N3H19C20 |
A2B3C19D20 |
25.71 |
6.3 |
-9.52 |
-0.64 |
0 |
|
|
27037 |
813293 |
1 |
FSO2N3C16H18 |
ABC2D3E16F18 |
-84.48 |
6.24 |
-9.58 |
-1.03 |
0 |
|
|
27038 |
813294 |
1 |
FSO2N3C16H18 |
ABC2D3E16F18 |
-81.82 |
5.47 |
-9.17 |
-0.79 |
0 |
|
|
27039 |
813295 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-80.67 |
3.29 |
-9.28 |
-0.73 |
0 |
|
|
27040 |
813296 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-73.39 |
1.82 |
-9.46 |
-0.74 |
0 |
|
|
27041 |
813297 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-64.03 |
5.72 |
-9.47 |
-1.01 |
0 |
|
|
27042 |
813298 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-63.63 |
5.83 |
-9.43 |
-1.01 |
0 |
|
|
27043 |
813342 |
1 |
SO2N3C16H19 |
AB2C3D16E19 |
-38.75 |
4.43 |
-9.21 |
-0.64 |
0 |
|
|
27044 |
813355 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-59.45 |
7.18 |
-9.4 |
-0.88 |
0 |
|
|
27045 |
813618 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-62.17 |
6.44 |
-9.52 |
-0.32 |
0 |
|
|
27046 |
813619 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-54.13 |
3.12 |
-9.71 |
-0.34 |
0 |
|
|
27047 |
813654 |
1 |
N4O5C15H16 |
A4B5C15D16 |
-47.33 |
7.65 |
-9.72 |
-1.77 |
0 |
|
|
27048 |
813658 |
1 |
FN3O3C15H16 |
AB3C3D15E16 |
-83.22 |
3.32 |
-9.7 |
-0.81 |
0 |
|
|
27049 |
813668 |
1 |
N3O5C17H21 |
A3B5C17D21 |
-124.08 |
3.92 |
-9.3 |
-0.48 |
0 |
|
|
27050 |
813669 |
1 |
N2O4C13H14 |
A2B4C13D14 |
-140.48 |
1.89 |
-8.47 |
-0.81 |
0 |
|
|
27051 |
813670 |
1 |
FN3O3C15H16 |
AB3C3D15E16 |
-89.11 |
6.88 |
-9.68 |
-0.67 |
0 |
|
|
27052 |
813671 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-82.95 |
4.01 |
-9.05 |
-0.45 |
0 |
|
|
27053 |
813703 |
1 |
N2O3C14H16 |
A2B3C14D16 |
-113.68 |
2.63 |
-8.15 |
-0.69 |
0 |
|
|
27054 |
813925 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-80.27 |
6.88 |
-9.15 |
-0.76 |
0 |
|
|
27055 |
813946 |
1 |
ON4H10C11 |
AB4C10D11 |
105.55 |
8.13 |
-8.11 |
-1.46 |
0 |
|
|
27056 |
813959 |
1 |
SO2N4C16H18 |
AB2C4D16E18 |
-8.88 |
6.86 |
-9.14 |
-1.06 |
0 |
|
|
27057 |
813969 |
1 |
SO2N4C17H22 |
AB2C4D17E22 |
-42.07 |
6.45 |
-9.11 |
-0.97 |
0 |
|
|
27058 |
814039 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-45.27 |
7.97 |
-9.46 |
-0.44 |
0 |
|
|
27059 |
814096 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-54.32 |
3.53 |
-9.13 |
-0.66 |
0 |
|
|
27060 |
814097 |
1 |
ClSO2N3C16H16 |
ABC2D3E16F16 |
-18.44 |
4.87 |
-9.01 |
-0.76 |
0 |
|
|
27061 |
814098 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-74.64 |
5.8 |
-8.93 |
-0.37 |
0 |
|
|
27062 |
814118 |
1 |
N3O4C14H17 |
A3B4C14D17 |
-73.37 |
5.57 |
-9.51 |
-0.61 |
0 |
|
|
27063 |
814120 |
1 |
SN3O3C15H19 |
AB3C3D15E19 |
-50.3 |
5.31 |
-9.38 |
-0.44 |
0 |
|
|
27064 |
814122 |
1 |
NSO4H17C18 |
ABC4D17E18 |
-87.1 |
3.66 |
-8.19 |
-1.13 |
0 |
|
|
27065 |
814125 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-27.87 |
4.8 |
-9.28 |
-0.24 |
0 |
|
|
27066 |
814126 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-35.59 |
6.44 |
-9.4 |
0.06 |
0 |
|
|
27067 |
814153 |
1 |
ClFNO2H13C15 |
ABCD2E13F15 |
-89.83 |
2.28 |
-9.25 |
-0.43 |
0 |
|
|
27068 |
814155 |
1 |
FNCl2O2H12C15 |
ABC2D2E12F15 |
-97.61 |
2.27 |
-9.39 |
-0.81 |
0 |
|
|
27069 |
814159 |
1 |
N4O4C17H22 |
A4B4C17D22 |
-65.77 |
6.13 |
-8.73 |
-0.85 |
0 |
|
|
27070 |
814260 |
1 |
SO2N3H17C18 |
AB2C3D17E18 |
-8.65 |
6.5 |
-9.11 |
-0.97 |
0 |
|
|
27071 |
814262 |
1 |
ClSO2N3C15H16 |
ABC2D3E15F16 |
-34.45 |
4.67 |
-9.09 |
-0.58 |
0 |
|
|
27072 |
814263 |
1 |
SN2O4C15H16 |
AB2C4D15E16 |
-42.27 |
8.01 |
-8.79 |
-1.86 |
0 |
|
|
27073 |
814264 |
1 |
SN3O4C15H15 |
AB3C4D15E15 |
-85.2 |
3.91 |
-9.06 |
-0.99 |
0 |
|
|
27074 |
814267 |
1 |
SN3O3C15H17 |
AB3C3D15E17 |
-65.38 |
3.04 |
-9.1 |
-0.78 |
0 |
|
|
27075 |
814268 |
1 |
SN3O3C15H17 |
AB3C3D15E17 |
-63.69 |
6.37 |
-9.14 |
-0.87 |
0 |
|
|
27076 |
814269 |
1 |
ClSO2N3C14H14 |
ABC2D3E14F14 |
-31.69 |
4.23 |
-9.08 |
-0.84 |
0 |
|
|
27077 |
814272 |
1 |
SO2N3C12H17 |
AB2C3D12E17 |
-49.32 |
6.35 |
-8.86 |
-0.36 |
0 |
|
|
27078 |
814273 |
1 |
NSO3H15C17 |
ABC3D15E17 |
-49.74 |
3.83 |
-8.98 |
-1.07 |
0 |
|
|
27079 |
814276 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-41.52 |
3.35 |
-9.24 |
-0.65 |
0 |
|
|
27080 |
814277 |
1 |
ClSO2N3C16H16 |
ABC2D3E16F16 |
-9.28 |
4.08 |
-9.22 |
-0.78 |
0 |
|
|
27081 |
814279 |
1 |
NOF2H9C13 |
ABC2D9E13 |
-83.56 |
3.77 |
-9.14 |
-0.56 |
0 |
|
|
27082 |
814280 |
1 |
ClSO2N3C16H16 |
ABC2D3E16F16 |
-14.04 |
6.0 |
-9.59 |
-1.04 |
0 |
|
|
27083 |
814281 |
1 |
SO2N3C13H19 |
AB2C3D13E19 |
-47.83 |
4.01 |
-9.2 |
-0.53 |
0 |
|
|
27084 |
814282 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-11.84 |
6.01 |
-9.01 |
-0.45 |
0 |
|
|
27085 |
814283 |
1 |
SO2N3C11H15 |
AB2C3D11E15 |
-38.76 |
4.37 |
-9.08 |
-0.5 |
0 |
|
|
27086 |
814284 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-52.99 |
5.19 |
-9.0 |
-0.44 |
0 |
|
|
27087 |
814289 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-15.55 |
5.76 |
-9.47 |
-0.96 |
0 |
|
|
27088 |
814290 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-40.69 |
2.85 |
-9.09 |
-0.82 |
0 |
|
|
27089 |
814292 |
1 |
FSO2N3C16H16 |
ABC2D3E16F16 |
-49.77 |
6.61 |
-9.5 |
-0.96 |
0 |
|
|
27090 |
814293 |
1 |
FSO2N3C16H16 |
ABC2D3E16F16 |
-47.3 |
3.46 |
-9.56 |
-1.03 |
0 |
|
|
27091 |
814295 |
1 |
SO2N3C15H21 |
AB2C3D15E21 |
-45.85 |
5.36 |
-8.98 |
-0.42 |
0 |
|
|
27092 |
814298 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
8.5 |
2.78 |
-9.34 |
-0.8 |
0 |
|
|
27093 |
814299 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
9.27 |
6.06 |
-9.54 |
-1.01 |
0 |
|
|
27094 |
814302 |
1 |
SO2N4C12H18 |
AB2C4D12E18 |
-31.32 |
4.54 |
-9.36 |
-0.91 |
0 |
|
|
27095 |
814303 |
1 |
ClSO2N3C12H16 |
ABC2D3E12F16 |
-50.04 |
5.56 |
-9.62 |
-1.08 |
0 |
|
|
27096 |
814304 |
1 |
ClSO2N3C12H16 |
ABC2D3E12F16 |
-46.58 |
3.23 |
-9.26 |
-0.59 |
0 |
|
|
27097 |
814305 |
2 |
NOC7H7 |
ABC7D7 |
-35.82 |
3.94 |
-9.0 |
-0.44 |
0 |
|
|
27098 |
814306 |
1 |
SO2N3C16H19 |
AB2C3D16E19 |
-38.39 |
0.55 |
-8.89 |
-0.44 |
0 |
|
|
27099 |
814307 |
1 |
FSO2N3C16H18 |
ABC2D3E16F18 |
-93.65 |
4.93 |
-9.02 |
-0.62 |
0 |
|
|
27100 |
814308 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-49.15 |
3.64 |
-8.7 |
-0.22 |
0 |
|
|
27101 |
814309 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-53.73 |
5.22 |
-8.7 |
-0.35 |
0 |
|
|
27102 |
814311 |
1 |
SO2N3C16H25 |
AB2C3D16E25 |
-95.01 |
6.15 |
-9.15 |
-0.78 |
0 |
|
|
27103 |
814314 |
1 |
SN3O3C14H17 |
AB3C3D14E17 |
-67.79 |
3.34 |
-9.05 |
-0.72 |
0 |
|
|
27104 |
814315 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-48.95 |
3.03 |
-9.08 |
-0.53 |
0 |
|
|
27105 |
814316 |
1 |
SO2N3C18H23 |
AB2C3D18E23 |
-63.92 |
5.17 |
-8.46 |
-0.2 |
0 |
|
|
27106 |
814319 |
1 |
FSO2N3C16H18 |
ABC2D3E16F18 |
-85.39 |
2.65 |
-8.96 |
-0.8 |
0 |
|
|
27107 |
814320 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-87.37 |
4.7 |
-8.67 |
-0.19 |
0 |
|
|
27108 |
814323 |
1 |
SO2N3C18H23 |
AB2C3D18E23 |
-59.6 |
2.66 |
-8.93 |
-0.52 |
0 |
|
|
27109 |
814328 |
1 |
ClSO2N3C12H18 |
ABC2D3E12F18 |
-90.03 |
4.78 |
-9.23 |
-0.83 |
0 |
|
|
27110 |
814329 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-63.68 |
3.68 |
-8.94 |
-0.54 |
0 |
|
|
27111 |
814331 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-74.09 |
3.57 |
-8.81 |
-0.27 |
0 |
|
|
27112 |
814338 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-12.35 |
5.23 |
-8.86 |
-0.47 |
0 |
|
|
27113 |
814339 |
1 |
FSO2N3C17H18 |
ABC2D3E17F18 |
-63.66 |
2.96 |
-9.07 |
-0.63 |
0 |
|
|
27114 |
814340 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-59.7 |
2.78 |
-9.16 |
-0.63 |
0 |
|
|
27115 |
814342 |
1 |
SO2N3C12H17 |
AB2C3D12E17 |
-51.21 |
3.33 |
-9.17 |
-0.65 |
0 |
|
|
27116 |
814343 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-72.27 |
6.05 |
-8.66 |
-0.2 |
0 |
|
|
27117 |
814347 |
1 |
SN3O3C15H17 |
AB3C3D15E17 |
-40.57 |
4.34 |
-8.96 |
-0.73 |
0 |
|
|
27118 |
814351 |
1 |
FSO2N3C17H18 |
ABC2D3E17F18 |
-59.49 |
3.81 |
-8.93 |
-0.8 |
0 |
|
|
27119 |
814440 |
1 |
N3O3C13H19 |
A3B3C13D19 |
-70.7 |
4.51 |
-9.67 |
-0.08 |
0 |
|
|
27120 |
814442 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-89.57 |
4.78 |
-9.02 |
-0.23 |
0 |
|
|
27121 |
814445 |
1 |
ClN3O3C15H16 |
AB3C3D15E16 |
-59.69 |
4.73 |
-9.48 |
-0.75 |
0 |
|
|
27122 |
814457 |
1 |
ClN3O3C14H14 |
AB3C3D14E14 |
-46.12 |
4.26 |
-9.61 |
-0.86 |
0 |