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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
156089 |
56369095 |
1 |
SO3N4C21H22 |
AB3C4D21E22 |
-52.13 |
5.2 |
-8.83 |
-1.06 |
0 |
|
|
156090 |
56369104 |
1 |
BrClN2O3C19H20 |
ABC2D3E19F20 |
-79.33 |
2.66 |
-9.11 |
-1.5 |
0 |
|
|
156091 |
56369111 |
1 |
N2O3C19H30 |
A2B3C19D30 |
-136.03 |
8.58 |
-8.27 |
0.24 |
0 |
|
|
156092 |
56369112 |
1 |
BrClON2F4H8C14 |
ABCD2E4F8G14 |
-193.23 |
2.49 |
-10.2 |
-1.46 |
0 |
|
|
156093 |
56369113 |
1 |
BrClN2O2C19H20 |
ABC2D2E19F20 |
-48.07 |
5.35 |
-8.7 |
-1.2 |
0 |
|
|
156094 |
56369114 |
1 |
BrN2O2C20H25 |
AB2C2D20E25 |
-62.48 |
3.32 |
-8.62 |
0.08 |
0 |
|
|
156095 |
56369119 |
1 |
BrO2N5C16H18 |
AB2C5D16E18 |
-5.19 |
2.2 |
-8.82 |
-0.85 |
0 |
|
|
156096 |
56369121 |
1 |
ON6C19H24 |
AB6C19D24 |
48.4 |
5.84 |
-8.65 |
-0.87 |
0 |
|
|
156097 |
56369122 |
1 |
OF3N5C21H22 |
AB3C5D21E22 |
-93.56 |
6.37 |
-9.13 |
-1.08 |
0 |
|
|
156098 |
56369123 |
1 |
BrSO3N4C18H25 |
ABC3D4E18F25 |
-79.65 |
2.78 |
-9.43 |
-1.03 |
0 |
|
|
156099 |
56369124 |
1 |
FSO3N4C18H25 |
ABC3D4E18F25 |
-129.0 |
10.01 |
-9.57 |
-0.96 |
0 |
|
|
156100 |
56369126 |
1 |
BrO2N4C19H23 |
AB2C4D19E23 |
-47.28 |
4.61 |
-8.96 |
-0.49 |
0 |
|
|
156101 |
56369128 |
2 |
ON3C13H14 |
AB3C13D14 |
26.21 |
6.52 |
-9.01 |
-0.28 |
0 |
|
|
156102 |
56369129 |
1 |
SN3O3C26H29 |
AB3C3D26E29 |
-70.35 |
2.16 |
-8.71 |
-0.84 |
0 |
|
|
156103 |
56369134 |
1 |
BrO2N3C21H28 |
AB2C3D21E28 |
-52.01 |
3.34 |
-8.66 |
-0.06 |
0 |
|
|
156104 |
56369136 |
1 |
ClN2O6H21C22 |
AB2C6D21E22 |
-163.57 |
6.14 |
-8.49 |
-1.3 |
0 |
|
|
156105 |
56369137 |
1 |
BrClON4C17H18 |
ABCD4E17F18 |
15.94 |
2.93 |
-9.0 |
-1.38 |
0 |
|
|
156106 |
56369148 |
1 |
S2N3O4C23H29 |
A2B3C4D23E29 |
-123.99 |
8.79 |
-8.72 |
-1.08 |
0 |
|
|
156107 |
56369152 |
1 |
O2N4C21H22 |
A2B4C21D22 |
4.68 |
5.09 |
-9.37 |
-0.52 |
0 |
|
|
156108 |
56369155 |
1 |
N3O5C17H27 |
A3B5C17D27 |
-204.31 |
3.07 |
-8.8 |
-0.09 |
0 |
|
|
156109 |
56369158 |
1 |
Cl2N3O3C21H21 |
A2B3C3D21E21 |
-82.4 |
4.99 |
-9.6 |
-0.9 |
0 |
|
|
156110 |
56369165 |
1 |
SN2O3C25H32 |
AB2C3D25E32 |
-93.38 |
7.91 |
-9.2 |
-0.52 |
0 |
|
|
156111 |
56369168 |
1 |
SN3O3C25H33 |
AB3C3D25E33 |
-97.14 |
1.52 |
-8.82 |
-0.4 |
0 |
|
|
156112 |
56369179 |
1 |
SO4N5C23H27 |
AB4C5D23E27 |
-59.78 |
8.25 |
-9.68 |
-1.0 |
0 |
|
|
156113 |
56369181 |
1 |
SN3O5C21H33 |
AB3C5D21E33 |
-229.93 |
5.18 |
-9.53 |
-0.44 |
0 |
|
|
156114 |
56369188 |
1 |
SN2O4C20H26 |
AB2C4D20E26 |
-131.36 |
6.91 |
-9.24 |
-0.6 |
0 |
|
|
156115 |
56369189 |
1 |
O3N5C22H33 |
A3B5C22D33 |
-131.35 |
7.46 |
-9.28 |
-0.03 |
0 |
|
|
156116 |
56369213 |
1 |
S2O3N4C23H28 |
A2B3C4D23E28 |
-64.14 |
10.52 |
-8.37 |
-0.9 |
0 |
|
|
156117 |
56369219 |
1 |
SN2O2F3H15C19 |
AB2C2D3E15F19 |
-164.37 |
3.77 |
-9.54 |
-1.64 |
0 |
|
|
156118 |
56369220 |
1 |
NO3H21C22 |
AB3C21D22 |
-72.85 |
5.05 |
-9.03 |
-0.64 |
0 |
|
|
156119 |
56369223 |
1 |
BrClO2N4H16C18 |
ABC2D4E16F18 |
8.36 |
5.35 |
-9.03 |
-1.15 |
0 |
|
|
156120 |
56369224 |
1 |
BrO2N4C19H21 |
AB2C4D19E21 |
-8.23 |
5.86 |
-8.85 |
-0.16 |
0 |
|
|
156121 |
56369225 |
1 |
SN3O5C24H31 |
AB3C5D24E31 |
-183.29 |
2.98 |
-9.14 |
-0.98 |
0 |
|
|
156122 |
56369226 |
1 |
BrF2N2O3C16H17 |
AB2C2D3E16F17 |
-184.54 |
4.06 |
-9.12 |
-0.36 |
0 |
|
|
156123 |
56369228 |
1 |
FSN3O3C26H30 |
ABC3D3E26F30 |
-115.42 |
8.81 |
-8.7 |
-0.72 |
0 |
|
|
156124 |
56369229 |
1 |
SN3O5C23H23 |
AB3C5D23E23 |
-150.82 |
7.33 |
-9.0 |
-0.99 |
0 |
|
|
156125 |
56369230 |
1 |
INO5C17H18 |
ABC5D17E18 |
-134.12 |
4.71 |
-8.62 |
-1.22 |
0 |
|
|
156126 |
56369231 |
1 |
O2N3H25C26 |
A2B3C25D26 |
12.04 |
8.29 |
-8.66 |
-0.49 |
0 |
|
|
156127 |
56369232 |
1 |
ON4C26H38 |
AB4C26D38 |
-14.64 |
5.4 |
-8.26 |
-0.15 |
0 |
|
|
156128 |
56369233 |
1 |
N2O5C29H32 |
A2B5C29D32 |
-166.86 |
6.87 |
-8.55 |
-1.01 |
0 |
|
|
156129 |
56369237 |
1 |
INO5C18H20 |
ABC5D18E20 |
-138.55 |
5.15 |
-8.83 |
-1.12 |
0 |
|
|
156130 |
56369238 |
1 |
BrClO2N3H13C14 |
ABC2D3E13F14 |
-27.17 |
3.06 |
-9.45 |
-1.38 |
0 |
|
|
156131 |
56369239 |
1 |
BrFSO2N3H15C17 |
ABCD2E3F15G17 |
-39.14 |
2.5 |
-8.69 |
-0.8 |
0 |
|
|
156132 |
56369251 |
1 |
ON4C19H22 |
AB4C19D22 |
11.46 |
3.5 |
-8.88 |
-0.9 |
0 |
|
|
156133 |
56369255 |
1 |
ClN2O2C19H23 |
AB2C2D19E23 |
-64.12 |
6.95 |
-8.67 |
-0.85 |
0 |
|
|
156134 |
56369276 |
1 |
S2N4O4C23H30 |
A2B4C4D23E30 |
-120.12 |
5.29 |
-8.58 |
-1.04 |
0 |
|
|
156135 |
56369280 |
1 |
BrClO2N3C18H25 |
ABC2D3E18F25 |
-89.64 |
8.61 |
-9.51 |
-0.86 |
0 |
|
|
156136 |
56369283 |
1 |
ClOS2N4H13C18 |
ABC2D4E13F18 |
71.56 |
9.75 |
-9.03 |
-1.9 |
0 |
|
|
156137 |
56369288 |
1 |
O5N6C23H24 |
A5B6C23D24 |
-45.39 |
5.02 |
-9.38 |
-1.36 |
0 |
|
|
156138 |
56369290 |
1 |
O3N7C20H21 |
A3B7C20D21 |
71.75 |
3.32 |
-9.6 |
-1.34 |
0 |
|
|
156139 |
56369293 |
1 |
ClSO3N5C22H30 |
ABC3D5E22F30 |
-89.16 |
1.25 |
-8.65 |
-0.49 |
0 |
|
|
156140 |
56369294 |
1 |
ClSO3N5C23H26 |
ABC3D5E23F26 |
-46.06 |
6.03 |
-9.28 |
-0.7 |
0 |
|
|
156141 |
56369304 |
1 |
FSN2O3C23H27 |
ABC2D3E23F27 |
-124.07 |
4.93 |
-9.37 |
-0.58 |
0 |
|
|
156142 |
56369312 |
1 |
SN3O6C21H25 |
AB3C6D21E25 |
-137.57 |
7.47 |
-9.61 |
-1.25 |
0 |
|
|
156143 |
56369313 |
1 |
SN2O4C26H30 |
AB2C4D26E30 |
-109.29 |
8.91 |
-8.58 |
-0.52 |
0 |
|
|
156144 |
56369315 |
1 |
SN2O3C22H28 |
AB2C3D22E28 |
-109.01 |
9.18 |
-8.99 |
-0.57 |
0 |
|
|
156145 |
56369316 |
1 |
S2F3N3O3H12C16 |
A2B3C3D3E12F16 |
-184.36 |
6.13 |
-9.51 |
-1.36 |
0 |
|
|
156146 |
56369322 |
1 |
ON3C24H33 |
AB3C24D33 |
-25.92 |
2.55 |
-8.67 |
0.0 |
0 |
|
|
156147 |
56369323 |
1 |
SO2N4C24H26 |
AB2C4D24E26 |
-7.77 |
0.53 |
-9.08 |
-0.93 |
0 |
|
|
156148 |
56369326 |
1 |
ON5C26H31 |
AB5C26D31 |
40.41 |
3.32 |
-8.8 |
-0.35 |
0 |
|
|
156149 |
56369327 |
1 |
O2N4C27H36 |
A2B4C27D36 |
-56.1 |
8.37 |
-9.01 |
-0.01 |
0 |
|
|
156150 |
56369330 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-99.11 |
4.33 |
-8.43 |
-0.37 |
0 |
|
|
156151 |
56369332 |
1 |
ClOSN4C19H25 |
ABCD4E19F25 |
-13.8 |
6.5 |
-8.45 |
-0.64 |
0 |
|
|
156152 |
56369333 |
1 |
S2N4O5C21H30 |
A2B4C5D21E30 |
-156.9 |
10.02 |
-9.03 |
-0.68 |
0 |
|
|
156153 |
56369340 |
1 |
BrON3C16H26 |
ABC3D16E26 |
-38.75 |
3.69 |
-8.69 |
0.06 |
0 |
|
|
156154 |
56369341 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-40.54 |
3.61 |
-8.64 |
-0.72 |
0 |
|
|
156155 |
56369342 |
1 |
BrO2N3C20H26 |
AB2C3D20E26 |
-38.29 |
3.52 |
-8.62 |
0.05 |
0 |
|
|
156156 |
56369343 |
1 |
SN2O5H24C25 |
AB2C5D24E25 |
-158.45 |
3.98 |
-8.68 |
-0.81 |
0 |
|
|
156157 |
56369344 |
2 |
N2O2C11H12 |
A2B2C11D12 |
-62.9 |
2.06 |
-8.93 |
-0.96 |
0 |
|
|
156158 |
56369346 |
1 |
BrClSF2N3O3H13C16 |
ABCD2E3F3G13H16 |
-144.38 |
3.68 |
-9.67 |
-1.45 |
0 |
|
|
156159 |
56369347 |
1 |
SF2N2O4H22C24 |
AB2C2D4E22F24 |
-178.07 |
7.17 |
-9.22 |
-1.26 |
0 |
|
|
156160 |
56369361 |
1 |
BrN3O4C19H24 |
AB3C4D19E24 |
-122.63 |
1.4 |
-8.79 |
-0.19 |
0 |
|
|
156161 |
56369364 |
1 |
BrO2S2N4C18H19 |
AB2C2D4E18F19 |
-14.9 |
4.32 |
-8.71 |
-0.93 |
0 |
|
|
156162 |
56369369 |
1 |
N2O3C26H26 |
A2B3C26D26 |
-87.58 |
3.9 |
-8.83 |
-0.83 |
0 |
|
|
156163 |
56369385 |
1 |
O2N4H22C25 |
A2B4C22D25 |
30.08 |
6.11 |
-8.97 |
-1.0 |
0 |
|
|
156164 |
56369387 |
1 |
N3O4C30H31 |
A3B4C30D31 |
-96.76 |
8.06 |
-8.05 |
-0.78 |
0 |
|
|
156165 |
56369388 |
1 |
N2O4C27H28 |
A2B4C27D28 |
-97.21 |
7.75 |
-9.06 |
-0.39 |
0 |
|
|
156166 |
56369389 |
1 |
N2F3O3C23H29 |
A2B3C3D23E29 |
-263.64 |
7.07 |
-8.89 |
-0.46 |
0 |
|
|
156167 |
56369393 |
1 |
N2O7C24H32 |
A2B7C24D32 |
-253.83 |
9.51 |
-9.05 |
-0.15 |
0 |
|
|
156168 |
56369394 |
1 |
N3O4C25H33 |
A3B4C25D33 |
-118.7 |
9.67 |
-8.73 |
-0.66 |
0 |
|
|
156169 |
56369395 |
1 |
BrClON3H17C18 |
ABCD3E17F18 |
16.18 |
3.41 |
-8.24 |
-1.35 |
0 |
|
|
156170 |
56369396 |
1 |
BrOCl2N4H13C15 |
ABC2D4E13F15 |
23.11 |
2.78 |
-8.77 |
-1.37 |
0 |
|
|
156171 |
56369398 |
1 |
N2O5C25H30 |
A2B5C25D30 |
-178.25 |
3.62 |
-8.79 |
-0.12 |
0 |
|
|
156172 |
56369399 |
1 |
FN3O3C22H22 |
AB3C3D22E22 |
-94.72 |
3.53 |
-8.74 |
-0.9 |
0 |
|
|
156173 |
56369400 |
1 |
ClFSN3O5C22H25 |
ABCD3E5F22G25 |
-206.28 |
7.84 |
-8.34 |
-1.23 |
0 |
|
|
156174 |
56369405 |
1 |
BrSO2N3H16C18 |
ABC2D3E16F18 |
-5.89 |
2.96 |
-8.41 |
-0.93 |
0 |
|
|
156175 |
56369407 |
1 |
BrClON5C16H17 |
ABCD5E16F17 |
19.21 |
3.73 |
-9.14 |
-1.39 |
0 |
|
|
156176 |
56369410 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-106.22 |
2.78 |
-9.02 |
-0.15 |
0 |
|
|
156177 |
56369412 |
1 |
ClSO2N5H16C18 |
ABC2D5E16F18 |
-1.77 |
14.31 |
-8.75 |
-1.09 |
0 |
|
|
156178 |
56369415 |
1 |
SN3O5C24H29 |
AB3C5D24E29 |
-148.11 |
5.32 |
-9.58 |
-1.1 |
0 |
|
|
156179 |
56369416 |
1 |
SO3N5C25H29 |
AB3C5D25E29 |
-26.83 |
7.0 |
-8.54 |
-0.75 |
0 |
|
|
156180 |
56369417 |
1 |
O4N5C19H27 |
A4B5C19D27 |
-83.42 |
4.41 |
-9.49 |
-1.48 |
0 |
|
|
156181 |
56369418 |
1 |
S2O3N6C17H18 |
A2B3C6D17E18 |
45.49 |
11.29 |
-8.83 |
-1.3 |
0 |
|
|
156182 |
56369420 |
1 |
N2O2C23H24 |
A2B2C23D24 |
-17.89 |
6.0 |
-8.71 |
-0.29 |
0 |
|
|
156183 |
56369425 |
1 |
SN3O4C22H33 |
AB3C4D22E33 |
-178.64 |
6.26 |
-9.26 |
-0.42 |
0 |
|
|
156184 |
56369432 |
1 |
ClN2S2O3C21H25 |
AB2C2D3E21F25 |
-99.34 |
2.28 |
-8.74 |
-0.65 |
0 |
|
|
156185 |
56369435 |
1 |
FSN2O3C21H25 |
ABC2D3E21F25 |
-141.77 |
5.91 |
-9.37 |
-0.39 |
0 |
|
|
156186 |
56369437 |
1 |
ClN2S2O4C21H25 |
AB2C2D4E21F25 |
-132.4 |
6.8 |
-9.47 |
-1.18 |
0 |
|
|
156187 |
56369442 |
1 |
ClSO3N4C24H27 |
ABC3D4E24F27 |
-49.04 |
7.68 |
-9.24 |
-0.54 |
0 |
|
|
156188 |
56369443 |
1 |
SO3N7C22H29 |
AB3C7D22E29 |
-44.12 |
5.36 |
-9.06 |
-0.74 |
0 |