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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
34149 |
7890056 |
1 |
ClNO2F3H15C17 |
ABC2D3E15F17 |
-215.13 |
3.31 |
-9.81 |
-0.72 |
0 |
|
|
34150 |
7890062 |
1 |
BrN3O4H14C15 |
AB3C4D14E15 |
-49.86 |
6.05 |
-9.94 |
-1.24 |
0 |
|
|
34151 |
7890068 |
1 |
Cl2N3O4H13C15 |
A2B3C4D13E15 |
-69.72 |
5.38 |
-9.66 |
-1.6 |
0 |
|
|
34152 |
7890074 |
1 |
FNO6H16C20 |
ABC6D16E20 |
-244.54 |
6.76 |
-9.35 |
-1.16 |
0 |
|
|
34153 |
7890085 |
1 |
FN2O5C16H17 |
AB2C5D16E17 |
-243.11 |
4.06 |
-9.55 |
-1.17 |
0 |
|
|
34154 |
7890088 |
1 |
N3O4C17H19 |
A3B4C17D19 |
-71.92 |
5.89 |
-9.32 |
-1.46 |
0 |
|
|
34155 |
7890095 |
3 |
NO2C5H5 |
AB2C5D5 |
-121.69 |
3.78 |
-8.72 |
-1.49 |
0 |
|
|
34156 |
7890108 |
1 |
N3O4C17H17 |
A3B4C17D17 |
-59.57 |
5.47 |
-9.44 |
-1.55 |
0 |
|
|
34157 |
7890109 |
1 |
FNCl3O3H9C15 |
ABC3D3E9F15 |
-145.32 |
3.0 |
-9.45 |
-1.26 |
0 |
|
|
34158 |
7890110 |
1 |
N4O5H10C11 |
A4B5C10D11 |
-50.97 |
8.9 |
-9.95 |
-1.25 |
0 |
|
|
34159 |
7890112 |
1 |
ClN3O5H14C19 |
AB3C5D14E19 |
-59.08 |
4.9 |
-9.19 |
-1.65 |
0 |
|
|
34160 |
7890123 |
1 |
FNO3C19H24 |
ABC3D19E24 |
-176.68 |
4.6 |
-9.47 |
-0.65 |
0 |
|
|
34161 |
7890124 |
1 |
SN3O4C17H17 |
AB3C4D17E17 |
-52.6 |
8.12 |
-9.22 |
-1.09 |
0 |
|
|
34162 |
7890126 |
1 |
SN3O4C17H17 |
AB3C4D17E17 |
-49.7 |
7.65 |
-9.16 |
-1.23 |
0 |
|
|
34163 |
7890129 |
1 |
ClN3O4H14C15 |
AB3C4D14E15 |
-62.61 |
4.84 |
-9.51 |
-1.66 |
0 |
|
|
34164 |
7890137 |
1 |
FO3H13C15 |
AB3C13D15 |
-134.32 |
1.24 |
-9.49 |
-0.84 |
0 |
|
|
34165 |
7890141 |
1 |
NO5C23H23 |
AB5C23D23 |
-146.91 |
6.88 |
-8.72 |
-0.56 |
0 |
|
|
34166 |
7890143 |
4 |
OH4C5 |
AB4C5 |
-86.01 |
1.89 |
-8.97 |
-0.75 |
0 |
|
|
34167 |
7890145 |
1 |
NO4H17C23 |
AB4C17D23 |
-69.07 |
3.22 |
-8.8 |
-0.73 |
0 |
|
|
34168 |
7890146 |
1 |
ClNSO4H16C21 |
ABCD4E16F21 |
-102.62 |
2.68 |
-9.01 |
-1.06 |
0 |
|
|
34169 |
7890149 |
1 |
SN2O4H20C21 |
AB2C4D20E21 |
-96.43 |
4.29 |
-8.94 |
-0.89 |
0 |
|
|
34170 |
7890151 |
1 |
ClFNO2H15C16 |
ABCD2E15F16 |
-95.67 |
3.76 |
-9.11 |
-0.6 |
0 |
|
|
34171 |
7890152 |
1 |
SN2O4H20C21 |
AB2C4D20E21 |
-99.99 |
2.97 |
-8.5 |
-0.97 |
0 |
|
|
34172 |
7890161 |
1 |
N3O5C21H23 |
A3B5C21D23 |
-90.43 |
7.78 |
-8.79 |
-1.18 |
0 |
|
|
34173 |
7890166 |
1 |
F2N3O4H13C15 |
A2B3C4D13E15 |
-147.17 |
6.0 |
-9.97 |
-1.24 |
0 |
|
|
34174 |
7890167 |
1 |
SN2O6C20H22 |
AB2C6D20E22 |
-199.11 |
6.87 |
-9.35 |
-0.96 |
0 |
|
|
34175 |
7890168 |
1 |
F2N3O4H13C15 |
A2B3C4D13E15 |
-146.24 |
5.8 |
-9.96 |
-1.22 |
0 |
|
|
34176 |
7890171 |
1 |
SN3O6C15H15 |
AB3C6D15E15 |
-146.81 |
4.94 |
-8.99 |
-1.42 |
0 |
|
|
34177 |
7890180 |
1 |
F4O6H12C17 |
A4B6C12D17 |
-402.72 |
2.98 |
-9.34 |
-1.15 |
0 |
|
|
34178 |
7890182 |
1 |
N3O5C11H15 |
A3B5C11D15 |
-119.28 |
5.08 |
-10.04 |
-1.55 |
0 |
|
|
34179 |
7890193 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-102.34 |
5.56 |
-10.12 |
-1.52 |
0 |
|
|
34180 |
7890212 |
3 |
NO2C6H7 |
AB2C6D7 |
-129.0 |
5.25 |
-8.72 |
-1.17 |
0 |
|
|
34181 |
7890214 |
1 |
SN3O6C17H19 |
AB3C6D17E19 |
-158.88 |
5.43 |
-9.0 |
-1.36 |
0 |
|
|
34182 |
7890219 |
2 |
NO3H6C8 |
AB3C6D8 |
-108.15 |
3.98 |
-9.54 |
-1.6 |
0 |
|
|
34183 |
7890222 |
1 |
N4O5C13H18 |
A4B5C13D18 |
-136.09 |
8.02 |
-9.95 |
-1.29 |
0 |
|
|
34184 |
7890227 |
1 |
SN2O6C16H16 |
AB2C6D16E16 |
-202.2 |
6.88 |
-9.56 |
-1.28 |
0 |
|
|
34185 |
7890228 |
1 |
SN3O6C17H19 |
AB3C6D17E19 |
-159.88 |
2.87 |
-8.83 |
-1.77 |
0 |
|
|
34186 |
7890233 |
1 |
N3O6C17H19 |
A3B6C17D19 |
-131.39 |
5.84 |
-8.34 |
-1.34 |
0 |
|
|
34187 |
7890234 |
1 |
NO4C20H23 |
AB4C20D23 |
-146.24 |
2.26 |
-9.24 |
-1.01 |
0 |
|
|
34188 |
7890236 |
1 |
N4O5H18C21 |
A4B5C18D21 |
-24.54 |
8.87 |
-9.3 |
-1.22 |
0 |
|
|
34189 |
7890237 |
1 |
NO4C20H23 |
AB4C20D23 |
-146.93 |
2.38 |
-9.3 |
-1.04 |
0 |
|
|
34190 |
7890238 |
1 |
BrN3O4H12C14 |
AB3C4D12E14 |
-49.95 |
5.04 |
-9.13 |
-1.75 |
0 |
|
|
34191 |
7890241 |
1 |
NO4C20H23 |
AB4C20D23 |
-146.47 |
4.07 |
-9.6 |
-1.03 |
0 |
|
|
34192 |
7890244 |
1 |
SF2N3O4H11C14 |
AB2C3D4E11F14 |
-146.03 |
5.04 |
-9.51 |
-1.82 |
0 |
|
|
34193 |
7890245 |
1 |
NSO6C17H23 |
ABC6D17E23 |
-244.53 |
2.37 |
-9.4 |
-0.72 |
0 |
|
|
34194 |
7890246 |
1 |
N3O4C16H17 |
A3B4C16D17 |
-55.64 |
7.96 |
-9.82 |
-1.1 |
0 |
|
|
34195 |
7890248 |
1 |
N2O5H20C23 |
A2B5C20D23 |
-98.27 |
5.02 |
-8.88 |
-0.72 |
0 |
|
|
34196 |
7890250 |
1 |
ClFN3O4H9C13 |
ABC3D4E9F13 |
-98.42 |
5.34 |
-9.44 |
-1.79 |
0 |
|
|
34197 |
7890251 |
1 |
Cl2O3H10C14 |
A2B3C10D14 |
-95.2 |
2.24 |
-9.54 |
-0.91 |
0 |
|
|
34198 |
7890256 |
1 |
NO4H21C25 |
AB4C21D25 |
-77.66 |
5.14 |
-8.78 |
-0.65 |
0 |
|
|
34199 |
7890257 |
1 |
ClNO4H20C22 |
ABC4D20E22 |
-116.11 |
4.67 |
-8.95 |
-0.81 |
0 |
|
|
34200 |
7890258 |
1 |
N3O4C15H15 |
A3B4C15D15 |
-44.28 |
7.67 |
-9.83 |
-1.15 |
0 |
|
|
34201 |
7890268 |
1 |
N3O4C16H17 |
A3B4C16D17 |
-62.6 |
4.52 |
-8.95 |
-1.63 |
0 |
|
|
34202 |
7890270 |
1 |
Cl2O3H10C14 |
A2B3C10D14 |
-96.67 |
2.04 |
-9.4 |
-0.76 |
0 |
|
|
34203 |
7890273 |
1 |
N3O5C15H15 |
A3B5C15D15 |
-86.22 |
7.26 |
-9.18 |
-1.46 |
0 |
|
|
34204 |
7890276 |
2 |
NO3C9H9 |
AB3C9D9 |
-179.16 |
1.42 |
-9.42 |
-0.87 |
0 |
|
|
34205 |
7890279 |
1 |
BrN3O4H10C13 |
AB3C4D10E13 |
-41.42 |
3.06 |
-9.47 |
-1.74 |
0 |
|
|
34206 |
7890295 |
1 |
NF3O4H16C22 |
AB3C4D16E22 |
-252.73 |
3.47 |
-9.43 |
-1.18 |
0 |
|
|
34207 |
7890296 |
1 |
BrFN3O4H9C13 |
ABC3D4E9F13 |
-84.84 |
3.22 |
-9.44 |
-1.75 |
0 |
|
|
34208 |
7890298 |
1 |
ClFN3O4H9C13 |
ABC3D4E9F13 |
-97.97 |
3.64 |
-9.44 |
-1.72 |
0 |
|
|
34209 |
7890300 |
1 |
F2N3O4H9C13 |
A2B3C4D9E13 |
-130.97 |
4.41 |
-9.62 |
-1.63 |
0 |
|
|
34210 |
7890301 |
1 |
NO4C19H25 |
AB4C19D25 |
-171.66 |
3.95 |
-9.35 |
-0.96 |
0 |
|
|
34211 |
7890303 |
1 |
N2O5H14C16 |
A2B5C14D16 |
-160.96 |
3.07 |
-9.22 |
-0.81 |
0 |
|
|
34212 |
7890313 |
1 |
NCl2O3H17C18 |
AB2C3D17E18 |
-109.47 |
4.35 |
-9.43 |
-0.63 |
0 |
|
|
34213 |
7890318 |
1 |
N3O4C15H15 |
A3B4C15D15 |
-64.95 |
4.44 |
-9.08 |
-1.61 |
0 |
|
|
34214 |
7890327 |
1 |
FN3O4H10C13 |
AB3C4D10E13 |
-90.65 |
4.35 |
-9.3 |
-1.73 |
0 |
|
|
34215 |
7890334 |
1 |
ClSN2O5C18H25 |
ABC2D5E18F25 |
-214.98 |
4.39 |
-9.3 |
-0.88 |
0 |
|
|
34216 |
7890340 |
1 |
SN2O5C14H20 |
AB2C5D14E20 |
-202.05 |
3.62 |
-10.16 |
-0.76 |
0 |
|
|
34217 |
7890342 |
2 |
NO2C6H8 |
AB2C6D8 |
-161.2 |
3.36 |
-9.62 |
-0.6 |
0 |
|
|
34218 |
7890345 |
1 |
ClN2O3C13H13 |
AB2C3D13E13 |
-98.0 |
9.05 |
-9.5 |
-1.04 |
0 |
|
|
34219 |
7890351 |
1 |
NSO4C21H23 |
ABC4D21E23 |
-146.1 |
2.22 |
-8.59 |
-0.74 |
0 |
|
|
34220 |
7890355 |
1 |
ClN3O5C20H22 |
AB3C5D20E22 |
-111.5 |
8.86 |
-9.2 |
-0.92 |
0 |
|
|
34221 |
7890372 |
1 |
N3O5C12H15 |
A3B5C12D15 |
-121.87 |
7.49 |
-9.92 |
-1.18 |
0 |
|
|
34222 |
7890373 |
1 |
ClN3O5H18C19 |
AB3C5D18E19 |
-79.79 |
7.77 |
-9.41 |
-1.05 |
0 |
|
|
34223 |
7890374 |
1 |
N4O6C17H28 |
A4B6C17D28 |
-274.83 |
8.0 |
-9.3 |
-0.72 |
0 |
|
|
34224 |
7890376 |
1 |
NO4C25H29 |
AB4C25D29 |
-120.37 |
4.44 |
-8.42 |
-0.43 |
0 |
|
|
34225 |
7890377 |
1 |
N2O5C18H22 |
A2B5C18D22 |
-205.93 |
2.14 |
-9.56 |
-0.62 |
0 |
|
|
34226 |
7890383 |
1 |
SN2O3C22H24 |
AB2C3D22E24 |
-57.08 |
3.0 |
-8.39 |
-0.62 |
0 |
|
|
34227 |
7890393 |
1 |
N3O4C17H19 |
A3B4C17D19 |
-67.44 |
4.44 |
-9.45 |
-1.6 |
0 |
|
|
34228 |
7890399 |
1 |
N3O4C17H19 |
A3B4C17D19 |
-64.46 |
4.6 |
-9.12 |
-1.65 |
0 |
|
|
34229 |
7890405 |
1 |
N3O4C15H15 |
A3B4C15D15 |
-51.56 |
5.13 |
-9.59 |
-1.54 |
0 |
|
|
34230 |
7890406 |
1 |
ClNO3H16C23 |
ABC3D16E23 |
-36.04 |
5.14 |
-8.94 |
-0.79 |
0 |
|
|
34231 |
7890408 |
1 |
N3O4C17H19 |
A3B4C17D19 |
-65.33 |
6.4 |
-9.11 |
-1.32 |
0 |
|
|
34232 |
7890411 |
1 |
BrN3O4H12C14 |
AB3C4D12E14 |
-52.41 |
5.87 |
-9.4 |
-1.28 |
0 |
|
|
34233 |
7890412 |
1 |
N2O3C23H28 |
A2B3C23D28 |
-113.71 |
6.75 |
-7.9 |
-0.13 |
0 |
|
|
34234 |
7890415 |
1 |
N3O5C15H15 |
A3B5C15D15 |
-88.3 |
7.85 |
-8.73 |
-1.31 |
0 |
|
|
34235 |
7890419 |
1 |
SN3O4H15C19 |
AB3C4D15E19 |
-15.71 |
6.08 |
-8.95 |
-1.31 |
0 |
|
|
34236 |
7890422 |
1 |
N3O4C13H17 |
A3B4C13D17 |
-93.49 |
5.01 |
-10.15 |
-1.55 |
0 |
|
|
34237 |
7890427 |
1 |
N3O5H17C20 |
A3B5C17D20 |
-59.6 |
5.45 |
-8.8 |
-1.7 |
0 |
|
|
34238 |
7890428 |
1 |
ClFNO3H19C22 |
ABCD3E19F22 |
-118.69 |
6.18 |
-8.93 |
-0.73 |
0 |
|
|
34239 |
7890431 |
1 |
F3N4O5H11C15 |
A3B4C5D11E15 |
-216.47 |
4.22 |
-9.52 |
-1.71 |
0 |
|
|
34240 |
7890432 |
1 |
FN4O5H13C15 |
AB4C5D13E15 |
-132.03 |
6.3 |
-9.28 |
-1.48 |
0 |
|
|
34241 |
7890435 |
1 |
N3O5C17H17 |
A3B5C17D17 |
-93.13 |
3.85 |
-9.75 |
-1.58 |
0 |
|
|
34242 |
7890437 |
1 |
N4O5C21H26 |
A4B5C21D26 |
-123.71 |
4.8 |
-8.71 |
-1.35 |
0 |
|
|
34243 |
7890440 |
1 |
ClO3H19C23 |
AB3C19D23 |
-65.27 |
3.83 |
-9.37 |
-0.85 |
0 |
|
|
34244 |
7890453 |
1 |
ClNO3H22C23 |
ABC3D22E23 |
-85.76 |
7.95 |
-8.79 |
-0.64 |
0 |
|
|
34245 |
7890461 |
1 |
N3O4C13H17 |
A3B4C13D17 |
-87.93 |
8.31 |
-9.85 |
-1.13 |
0 |
|
|
34246 |
7890466 |
1 |
ClNO3C21H26 |
ABC3D21E26 |
-149.72 |
2.89 |
-9.7 |
-1.25 |
0 |
|
|
34247 |
7890469 |
1 |
N3O5C13H17 |
A3B5C13D17 |
-126.12 |
5.42 |
-9.8 |
-1.34 |
0 |
|
|
34248 |
7890491 |
1 |
ClN3O4H14C15 |
AB3C4D14E15 |
-62.07 |
4.29 |
-9.75 |
-1.65 |
0 |