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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
438332 |
135228065 |
1 |
BrFN2C20H20 |
ABC2D20E20 |
37.94 |
1.62 |
-8.41 |
-0.19 |
0 |
|
|
438333 |
135228066 |
1 |
N8H18C21 |
A8B18C21 |
193.26 |
11.22 |
-9.02 |
-0.98 |
0 |
|
|
438334 |
135228067 |
1 |
N5O12C23H45 |
A5B12C23D45 |
-564.87 |
7.21 |
-9.4 |
0.4 |
0 |
|
|
438335 |
135228068 |
1 |
N5O14C26H51 |
A5B14C26D51 |
-649.05 |
6.41 |
-9.34 |
0.63 |
0 |
|
|
438336 |
135228069 |
1 |
N4O10C17H34 |
A4B10C17D34 |
-458.06 |
2.21 |
-9.55 |
0.4 |
0 |
|
|
438337 |
135228070 |
1 |
FOSN2C14H21 |
ABCD2E14F21 |
-76.88 |
3.67 |
-8.95 |
-0.66 |
0 |
|
|
438338 |
135228071 |
1 |
N2O3C38H46 |
A2B3C38D46 |
-62.63 |
1.65 |
-8.78 |
-0.57 |
0 |
|
|
438339 |
135228072 |
1 |
N2O3C39H48 |
A2B3C39D48 |
-66.36 |
2.48 |
-8.69 |
-0.52 |
0 |
|
|
438340 |
135228073 |
1 |
NS2C19H31 |
AB2C19D31 |
-18.75 |
3.76 |
-8.55 |
-0.31 |
0 |
|
|
438341 |
135228074 |
1 |
ION2F3C16H16 |
ABC2D3E16F16 |
-124.31 |
5.81 |
-8.58 |
-0.87 |
0 |
|
|
438342 |
135228075 |
1 |
SN2F3O5C23H29 |
AB2C3D5E23F29 |
-300.77 |
5.82 |
-8.4 |
-0.79 |
0 |
|
|
438343 |
135228076 |
1 |
BrSO3C9H15 |
ABC3D9E15 |
-123.13 |
3.8 |
-9.16 |
-1.52 |
0 |
|
|
438344 |
135228077 |
1 |
ION2F3C17H18 |
ABC2D3E17F18 |
-129.18 |
5.98 |
-8.56 |
-0.87 |
0 |
|
|
438345 |
135228078 |
1 |
N5O12C22H41 |
A5B12C22D41 |
-540.77 |
5.37 |
-8.86 |
0.25 |
0 |
|
|
438346 |
135228079 |
1 |
BrSO2C9H15 |
ABC2D9E15 |
-96.86 |
1.2 |
-9.13 |
-1.82 |
0 |
|
|
438347 |
135228080 |
1 |
F3C8H15 |
A3B8C15 |
-191.09 |
2.85 |
-11.12 |
2.41 |
0 |
|
|
438348 |
135228081 |
1 |
N5O14C24H45 |
A5B14C24D45 |
-610.76 |
4.21 |
-9.58 |
0.47 |
0 |
|
|
438349 |
135228082 |
1 |
ON3C27H33 |
AB3C27D33 |
22.36 |
1.89 |
-8.18 |
-0.1 |
0 |
|
|
438350 |
135228083 |
1 |
SO5C13H26 |
AB5C13D26 |
-244.14 |
6.07 |
-10.01 |
0.07 |
0 |
|
|
438351 |
135228084 |
1 |
N2O2H18C19 |
A2B2C18D19 |
-2.49 |
4.73 |
-8.47 |
-0.38 |
0 |
|
|
438352 |
135228085 |
1 |
SO4C13H26 |
AB4C13D26 |
-191.37 |
3.21 |
-8.7 |
0.2 |
0 |
|
|
438353 |
135228086 |
1 |
SN2F3O5C24H31 |
AB2C3D5E24F31 |
-313.31 |
6.71 |
-8.62 |
-0.49 |
0 |
|
|
438354 |
135228087 |
1 |
SN2F3O3C20H23 |
AB2C3D3E20F23 |
-206.63 |
4.75 |
-8.84 |
-0.42 |
0 |
|
|
438355 |
135228089 |
1 |
NSO5C10H17 |
ABC5D10E17 |
-165.0 |
4.04 |
-10.11 |
-0.14 |
0 |
|
|
438356 |
135228091 |
1 |
OSC12H24 |
ABC12D24 |
-88.67 |
4.46 |
-9.6 |
0.02 |
0 |
|
|
438357 |
135228092 |
1 |
ClSC7H13 |
ABC7D13 |
-12.64 |
1.85 |
-8.68 |
0.64 |
0 |
|
|
438358 |
135228094 |
1 |
ClNSF3H17C19 |
ABCD3E17F19 |
-119.75 |
3.07 |
-8.8 |
-1.09 |
0 |
|
|
438359 |
135228095 |
1 |
O2F3C23H25 |
A2B3C23D25 |
-229.36 |
1.13 |
-8.57 |
-0.45 |
0 |
|
|
438360 |
135228096 |
1 |
N2O5C23H26 |
A2B5C23D26 |
-174.78 |
4.57 |
-9.46 |
-1.35 |
0 |
|
|
438361 |
135228097 |
1 |
N5O5C25H37 |
A5B5C25D37 |
-201.93 |
7.0 |
-8.64 |
-0.59 |
0 |
|
|
438362 |
135228098 |
1 |
N2O4C11H16 |
A2B4C11D16 |
-144.48 |
2.62 |
-8.59 |
-0.56 |
0 |
|
|
438363 |
135228099 |
1 |
N3O6C23H27 |
A3B6C23D27 |
-228.58 |
3.8 |
-9.48 |
-1.27 |
0 |
|
|
438364 |
135228100 |
1 |
SN4O4C20H20 |
AB4C4D20E20 |
-74.59 |
6.05 |
-9.18 |
-0.73 |
0 |
|
|
438365 |
135228101 |
1 |
ClF3C21H24 |
AB3C21D24 |
-146.75 |
3.35 |
-8.92 |
-0.49 |
0 |
|
|
438366 |
135228102 |
1 |
N3C17H23 |
A3B17C23 |
29.45 |
3.21 |
-8.33 |
-0.29 |
0 |
|
|
438367 |
135228103 |
1 |
FN2C12H19 |
AB2C12D19 |
-29.99 |
2.9 |
-8.63 |
0.29 |
0 |
|
|
438368 |
135228104 |
1 |
SO3C10H20 |
AB3C10D20 |
-140.36 |
2.97 |
-8.86 |
-0.45 |
0 |
|
|
438369 |
135228105 |
1 |
BrSO3C9H17 |
ABC3D9E17 |
-139.04 |
4.46 |
-9.04 |
-1.41 |
0 |
|
|
438370 |
135228106 |
1 |
NSO5C10H17 |
ABC5D10E17 |
-164.62 |
4.1 |
-10.07 |
-0.24 |
0 |
|
|
438371 |
135228107 |
1 |
BrOSC10H19 |
ABCD10E19 |
-74.1 |
1.93 |
-9.05 |
-1.76 |
0 |
|
|
438372 |
135228108 |
1 |
SO5C9H18 |
AB5C9D18 |
-233.73 |
3.86 |
-10.47 |
0.1 |
0 |
|
|
438373 |
135228109 |
1 |
BrSO4C9H17 |
ABC4D9E17 |
-180.33 |
5.31 |
-10.57 |
-1.49 |
0 |
|
|
438374 |
135228110 |
1 |
SO4C10H20 |
AB4C10D20 |
-184.74 |
3.15 |
-10.13 |
0.12 |
0 |
|
|
438375 |
135228111 |
1 |
SO3C10H20 |
AB3C10D20 |
-129.36 |
4.36 |
-8.7 |
0.25 |
0 |
|
|
438376 |
135228112 |
1 |
NSO5C9H17 |
ABC5D9E17 |
-181.03 |
2.73 |
-10.14 |
-0.49 |
0 |
|
|
438377 |
135228113 |
1 |
SO2C11H22 |
AB2C11D22 |
-95.63 |
3.44 |
-8.7 |
0.38 |
0 |
|
|
438378 |
135228114 |
1 |
ClSO3C9H15 |
ABC3D9E15 |
-130.28 |
4.09 |
-9.42 |
-1.1 |
0 |
|
|
438379 |
135228115 |
1 |
NSO3C15H21 |
ABC3D15E21 |
-89.15 |
2.95 |
-8.62 |
-0.07 |
0 |
|
|
438380 |
135228116 |
1 |
ClSO3C9H17 |
ABC3D9E17 |
-146.05 |
4.75 |
-9.3 |
-0.98 |
0 |
|
|
438381 |
135228117 |
1 |
NO5C14H27 |
AB5C14D27 |
-269.09 |
5.07 |
-9.97 |
0.3 |
0 |
|
|
438382 |
135228118 |
2 |
NPO4C5H7 |
ABC4D5E7 |
-397.42 |
2.43 |
-8.63 |
-0.38 |
0 |
|
|
438383 |
135228119 |
1 |
N2P2O8C11H16 |
A2B2C8D11E16 |
-406.8 |
3.9 |
-8.81 |
-0.6 |
0 |
|
|
438384 |
135228120 |
1 |
N2P2O8C9H12 |
A2B2C8D9E12 |
-402.17 |
3.57 |
-8.89 |
-0.58 |
0 |
|
|
438385 |
135228121 |
1 |
NO5C15H29 |
AB5C15D29 |
-278.15 |
9.6 |
-10.05 |
0.63 |
0 |
|
|
438386 |
135228122 |
1 |
SN2F3O4C20H23 |
AB2C3D4E20F23 |
-252.39 |
5.52 |
-8.46 |
-0.15 |
0 |
|
|
438387 |
135228123 |
1 |
N5O5C28H41 |
A5B5C28D41 |
-214.31 |
5.46 |
-8.7 |
-0.56 |
0 |
|
|
438388 |
135228124 |
1 |
SO4C13H24 |
AB4C13D24 |
-180.57 |
3.18 |
-8.86 |
0.06 |
0 |
|
|
438389 |
135228125 |
1 |
N5O5C24H33 |
A5B5C24D33 |
-192.45 |
6.76 |
-8.6 |
-0.49 |
0 |
|
|
438390 |
135228126 |
1 |
N2P2O6C13H20 |
A2B2C6D13E20 |
-325.85 |
6.59 |
-9.2 |
-0.6 |
0 |
|
|
438391 |
135228127 |
1 |
N2P2O9C17H18 |
A2B2C9D17E18 |
-412.24 |
4.31 |
-9.47 |
-0.64 |
0 |
|
|
438392 |
135228128 |
1 |
N2P2O9C17H18 |
A2B2C9D17E18 |
-418.67 |
5.36 |
-9.54 |
-1.07 |
0 |
|
|
438393 |
135228129 |
1 |
N2P2O9C17H18 |
A2B2C9D17E18 |
-417.26 |
7.38 |
-9.29 |
-0.78 |
0 |
|
|
438394 |
135228130 |
1 |
N2P2O9C17H18 |
A2B2C9D17E18 |
-412.8 |
3.42 |
-9.59 |
-1.1 |
0 |
|
|
438395 |
135228131 |
1 |
NSO3C15H23 |
ABC3D15E23 |
-104.27 |
3.88 |
-8.58 |
0.02 |
0 |
|
|
438396 |
135228132 |
1 |
N5O6C28H41 |
A5B6C28D41 |
-229.57 |
8.91 |
-8.68 |
-0.58 |
0 |
|
|
438397 |
135228134 |
1 |
O3N5C22H31 |
A3B5C22D31 |
-98.13 |
3.69 |
-8.5 |
-0.39 |
0 |
|
|
438398 |
135228135 |
1 |
N4C19H26 |
A4B19C26 |
42.76 |
1.24 |
-8.29 |
-0.5 |
0 |
|
|
438399 |
135228136 |
1 |
N5O6C27H39 |
A5B6C27D39 |
-244.45 |
5.2 |
-8.66 |
-0.54 |
0 |
|
|
438400 |
135228137 |
1 |
ClSO2C9H15 |
ABC2D9E15 |
-96.35 |
1.42 |
-9.2 |
-1.48 |
0 |
|
|
438401 |
135228138 |
1 |
SC12H24 |
AB12C24 |
-32.46 |
1.83 |
-8.5 |
0.84 |
0 |
|
|
438402 |
135228139 |
1 |
SO3C15H28 |
AB3C15D28 |
-149.72 |
2.76 |
-8.62 |
-0.2 |
0 |
|
|
438403 |
135228140 |
1 |
SN3O6C23H27 |
AB3C6D23E27 |
-220.7 |
3.86 |
-8.97 |
-1.33 |
0 |
|
|
438404 |
135228142 |
1 |
N5O5C27H39 |
A5B5C27D39 |
-207.8 |
8.19 |
-8.61 |
-0.49 |
0 |
|
|
438405 |
135228143 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-76.21 |
5.45 |
-8.56 |
-0.46 |
0 |
|
|
438406 |
135228144 |
1 |
N6O6C27H40 |
A6B6C27D40 |
-202.65 |
8.47 |
-8.63 |
-0.55 |
0 |
|
|
438407 |
135228145 |
1 |
NO5C17H33 |
AB5C17D33 |
-281.12 |
8.02 |
-9.99 |
0.31 |
0 |
|
|
438408 |
135228146 |
1 |
NO5C15H29 |
AB5C15D29 |
-275.47 |
6.24 |
-10.01 |
0.34 |
0 |
|
|
438409 |
135228147 |
1 |
N5O6C28H41 |
A5B6C28D41 |
-250.71 |
4.95 |
-8.7 |
-0.59 |
0 |
|
|
438410 |
135228148 |
1 |
SC11H22 |
AB11C22 |
-27.68 |
1.83 |
-8.5 |
0.83 |
0 |
|
|
438411 |
135228149 |
1 |
NO6C16H27 |
AB6C16D27 |
-261.78 |
3.86 |
-9.69 |
-0.7 |
0 |
|
|
438412 |
135228150 |
1 |
N4O5C28H42 |
A4B5C28D42 |
-211.28 |
3.46 |
-8.74 |
-0.6 |
0 |
|
|
438413 |
135228151 |
1 |
NO6C15H25 |
AB6C15D25 |
-254.97 |
1.4 |
-9.8 |
-0.69 |
0 |
|
|
438414 |
135228152 |
1 |
N3O6C25H31 |
A3B6C25D31 |
-237.72 |
3.34 |
-9.46 |
-1.25 |
0 |
|
|
438415 |
135228153 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-123.03 |
5.78 |
-8.69 |
-0.59 |
0 |
|
|
438416 |
135228154 |
1 |
SC13H26 |
AB13C26 |
-36.75 |
1.9 |
-8.51 |
0.82 |
0 |
|
|
438417 |
135228155 |
2 |
NO2C8H8 |
AB2C8D8 |
-109.48 |
5.05 |
-8.32 |
-1.18 |
0 |
|
|
438418 |
135228156 |
3 |
OC4H8 |
AB4C8 |
-165.33 |
3.48 |
-9.79 |
0.3 |
0 |
|
|
438419 |
135228157 |
1 |
O4N5C24H35 |
A4B5C24D35 |
-134.8 |
5.7 |
-8.54 |
-0.45 |
0 |
|
|
438420 |
135228158 |
1 |
O3N5C23H33 |
A3B5C23D33 |
-102.66 |
4.97 |
-8.56 |
-0.49 |
0 |
|
|
438421 |
135228159 |
1 |
SC12H24 |
AB12C24 |
-31.93 |
1.89 |
-8.52 |
0.8 |
0 |
|
|
438422 |
135228160 |
1 |
N4O5C25H36 |
A4B5C25D36 |
-198.47 |
6.36 |
-8.68 |
-0.56 |
0 |
|
|
438423 |
135228161 |
1 |
FO3N4C24H25 |
AB3C4D24E25 |
-64.67 |
3.81 |
-8.1 |
-0.77 |
0 |
|
|
438424 |
135228162 |
1 |
O3N5C8H11 |
A3B5C8D11 |
-71.69 |
3.44 |
-9.09 |
-0.57 |
0 |
|
|
438425 |
135228163 |
1 |
N4O5C23H32 |
A4B5C23D32 |
-197.92 |
5.07 |
-8.77 |
-0.65 |
0 |
|
|
438426 |
135228164 |
1 |
NO6C12H19 |
AB6C12D19 |
-231.86 |
1.58 |
-9.85 |
-0.76 |
0 |
|
|
438427 |
135228165 |
1 |
NO5C14H27 |
AB5C14D27 |
-268.21 |
7.02 |
-10.04 |
0.19 |
0 |
|
|
438428 |
135228168 |
1 |
OSC13H26 |
ABC13D26 |
-81.85 |
3.32 |
-8.66 |
0.68 |
0 |
|
|
438429 |
135228169 |
1 |
NOH13C14 |
ABC13D14 |
12.69 |
1.29 |
-8.84 |
-0.48 |
0 |
|
|
438430 |
135228171 |
1 |
NO3C9H13 |
AB3C9D13 |
-113.34 |
2.64 |
-9.02 |
-0.36 |
0 |
|
|
438431 |
135228172 |
1 |
NO5C15H29 |
AB5C15D29 |
-275.73 |
8.66 |
-10.07 |
0.37 |
0 |