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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
396035 |
135027235 |
1 |
OSH18C20 |
ABC18D20 |
33.78 |
4.23 |
-8.26 |
-0.12 |
0 |
|
|
396036 |
135027241 |
1 |
N2H16C17 |
A2B16C17 |
97.81 |
3.59 |
-9.28 |
-0.76 |
0 |
|
|
396037 |
135027244 |
1 |
O5C17H22 |
A5B17C22 |
-190.16 |
4.12 |
-8.78 |
-0.18 |
0 |
|
|
396038 |
135027246 |
1 |
O5C17H22 |
A5B17C22 |
-188.69 |
3.74 |
-8.82 |
-0.05 |
0 |
|
|
396039 |
135027255 |
1 |
Si2O5C21H44 |
A2B5C21D44 |
-360.11 |
3.58 |
-8.87 |
0.58 |
0 |
|
|
396040 |
135027257 |
1 |
OC17H18 |
AB17C18 |
14.83 |
1.56 |
-8.61 |
0.28 |
0 |
|
|
396041 |
135027258 |
1 |
NOF3H10C13 |
ABC3D10E13 |
-138.63 |
0.97 |
-9.53 |
-0.81 |
0 |
|
|
396042 |
135027259 |
1 |
NO24C62H115 |
AB24C62D115 |
-1261.98 |
11.69 |
-9.34 |
-0.9 |
0 |
|
|
396043 |
135027262 |
2 |
NOC9H9 |
ABC9D9 |
29.51 |
4.76 |
-8.34 |
-1.44 |
0 |
|
|
396045 |
135027268 |
1 |
O2N5C11H11 |
A2B5C11D11 |
23.59 |
10.84 |
-9.26 |
-0.21 |
0 |
|
|
396046 |
135027273 |
1 |
NO4H17C19 |
AB4C17D19 |
-27.05 |
6.56 |
-9.72 |
-0.97 |
0 |
|
|
396047 |
135027282 |
1 |
SiO4C20H36 |
AB4C20D36 |
-253.67 |
3.13 |
-8.78 |
0.37 |
0 |
|
|
396048 |
135027289 |
1 |
NO3C9H15 |
AB3C9D15 |
-127.44 |
3.13 |
-10.16 |
0.29 |
0 |
|
|
396049 |
135027290 |
1 |
NO4C13H13 |
AB4C13D13 |
-150.92 |
1.66 |
-8.98 |
-0.56 |
0 |
|
|
396050 |
135027293 |
1 |
NS2O4F6C20H29 |
AB2C4D6E20F29 |
-477.17 |
27.21 |
-9.42 |
-1.12 |
0 |
|
|
396051 |
135027294 |
1 |
NS2O4F6C20H29 |
AB2C4D6E20F29 |
-473.76 |
5.75 |
-8.27 |
-1.23 |
0 |
|
|
396052 |
135027297 |
1 |
ClSN3O5C25H30 |
ABC3D5E25F30 |
-195.39 |
3.25 |
-8.83 |
-0.8 |
0 |
|
|
396053 |
135027301 |
1 |
O2H18C23 |
A2B18C23 |
5.39 |
2.69 |
-9.12 |
-0.68 |
0 |
|
|
396054 |
135027311 |
1 |
BrSO2H13C17 |
ABC2D13E17 |
-26.31 |
2.92 |
-8.84 |
-1.26 |
0 |
|
|
396055 |
135027313 |
1 |
SO4H12C16 |
AB4C12D16 |
-104.74 |
4.35 |
-8.75 |
-1.54 |
0 |
|
|
396057 |
135027322 |
1 |
SN3O4C14H21 |
AB3C4D14E21 |
-127.91 |
4.37 |
-8.86 |
-0.63 |
0 |
|
|
396058 |
135027325 |
1 |
SN2O2C18H30 |
AB2C2D18E30 |
-94.09 |
6.89 |
-8.53 |
-0.42 |
-1 |
|
|
396059 |
135027327 |
1 |
SCl2N2H13C20 |
AB2C2D13E20 |
123.24 |
3.34 |
0.0 |
0.0 |
0 |
|
|
396060 |
135027331 |
1 |
NCl2C13H13 |
AB2C13D13 |
6.05 |
2.3 |
-9.53 |
-1.08 |
0 |
|
|
396061 |
135027332 |
1 |
O3N5C14H15 |
A3B5C14D15 |
-16.57 |
7.54 |
-9.09 |
-1.12 |
0 |
|
|
396062 |
135027333 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-120.79 |
4.98 |
-8.83 |
-0.14 |
0 |
|
|
396063 |
135027340 |
1 |
SiO5C18H36 |
AB5C18D36 |
-329.9 |
1.71 |
-8.89 |
0.73 |
0 |
|
|
396064 |
135027342 |
1 |
NO5C29H31 |
AB5C29D31 |
-102.9 |
2.73 |
-9.42 |
0.06 |
0 |
|
|
396065 |
135027343 |
2 |
O2N3C28H28 |
A2B3C28D28 |
58.38 |
3.71 |
-8.68 |
-0.83 |
0 |
|
|
396066 |
135027344 |
1 |
N3O6C25H31 |
A3B6C25D31 |
-219.56 |
5.56 |
-8.33 |
-0.46 |
0 |
|
|
396067 |
135027345 |
1 |
N3O5C24H29 |
A3B5C24D29 |
-178.37 |
4.69 |
-8.86 |
-0.41 |
0 |
|
|
396068 |
135027346 |
1 |
N3O6C22H31 |
A3B6C22D31 |
-233.18 |
1.75 |
-8.99 |
-0.65 |
0 |
|
|
396069 |
135027347 |
1 |
ClN3O6C21H28 |
AB3C6D21E28 |
-238.65 |
3.78 |
-8.84 |
-0.65 |
0 |
|
|
396070 |
135027349 |
1 |
N3O6C25H31 |
A3B6C25D31 |
-216.62 |
6.44 |
-8.97 |
-0.42 |
0 |
|
|
396071 |
135027350 |
1 |
FN3O6C21H28 |
AB3C6D21E28 |
-268.86 |
3.09 |
-9.12 |
-0.77 |
0 |
|
|
396072 |
135027351 |
1 |
N3O6C20H29 |
A3B6C20D29 |
-250.81 |
3.92 |
-8.98 |
-0.37 |
0 |
|
|
396073 |
135027352 |
1 |
FON4H11C15 |
ABC4D11E15 |
45.62 |
4.92 |
-9.21 |
-0.78 |
0 |
|
|
396074 |
135027353 |
1 |
ON4H14C16 |
AB4C14D16 |
85.08 |
5.14 |
-8.85 |
-0.61 |
0 |
|
|
396075 |
135027354 |
1 |
ClON4H11C15 |
ABC4D11E15 |
83.63 |
4.99 |
-9.22 |
-0.8 |
0 |
|
|
396076 |
135027355 |
1 |
FN3O3C15H16 |
AB3C3D15E16 |
-131.06 |
4.52 |
-9.28 |
-0.94 |
0 |
|
|
396077 |
135027356 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-123.42 |
6.01 |
-8.65 |
-0.66 |
0 |
|
|
396078 |
135027359 |
1 |
N3O3C23H25 |
A3B3C23D25 |
-81.12 |
5.03 |
-9.0 |
-0.49 |
0 |
|
|
396079 |
135027360 |
1 |
N3O5C15H19 |
A3B5C15D19 |
-133.17 |
5.88 |
-9.12 |
-0.73 |
0 |
|
|
396080 |
135027361 |
1 |
N3O5C16H21 |
A3B5C16D21 |
-142.53 |
5.99 |
-8.88 |
-0.62 |
0 |
|
|
396081 |
135027362 |
1 |
ClN3O5C15H18 |
AB3C5D15E18 |
-142.15 |
5.44 |
-9.11 |
-0.93 |
0 |
|
|
396082 |
135027363 |
1 |
ClN3O5C15H18 |
AB3C5D15E18 |
-141.6 |
5.18 |
-9.08 |
-0.92 |
0 |
|
|
396083 |
135027364 |
1 |
BrN3O5C15H18 |
AB3C5D15E18 |
-130.53 |
5.35 |
-9.18 |
-0.94 |
0 |
|
|
396084 |
135027365 |
1 |
N3O5C16H21 |
A3B5C16D21 |
-136.39 |
5.84 |
-9.06 |
-0.67 |
0 |
|
|
396085 |
135027366 |
1 |
N3O5C21H23 |
A3B5C21D23 |
-107.63 |
5.77 |
-9.1 |
-0.67 |
0 |
|
|
396086 |
135027368 |
1 |
NOF3H10C13 |
ABC3D10E13 |
-141.25 |
2.64 |
-9.56 |
-0.74 |
0 |
|
|
396087 |
135027369 |
1 |
OSiSnC21H46 |
ABCD21E46 |
-165.5 |
1.53 |
-9.55 |
0.97 |
0 |
|
|
396088 |
135027370 |
1 |
OSiSnC21H46 |
ABCD21E46 |
-128.9 |
1.83 |
-9.5 |
0.92 |
0 |
|
|
396092 |
135027375 |
1 |
ClN6O9C22H23 |
AB6C9D22E23 |
-273.21 |
4.4 |
-9.49 |
-1.16 |
0 |
|
|
396093 |
135027376 |
1 |
OS2N4C13H22 |
AB2C4D13E22 |
-46.07 |
6.74 |
-8.46 |
-0.6 |
0 |
|
|
396094 |
135027377 |
1 |
OS2N4H18C22 |
AB2C4D18E22 |
80.49 |
5.26 |
-8.9 |
-0.98 |
0 |
|
|
396096 |
135027379 |
1 |
SH2C4N8O9 |
AB2C4D8E9 |
24.18 |
5.98 |
-10.84 |
-2.89 |
0 |
|
|
396097 |
135027380 |
1 |
F2O3C14H14 |
A2B3C14D14 |
-210.83 |
3.68 |
-10.02 |
-1.21 |
0 |
|
|
396098 |
135027381 |
1 |
PSN3O3C15H18 |
ABC3D3E15F18 |
-93.18 |
6.4 |
-9.14 |
-1.03 |
0 |
|
|
396099 |
135027382 |
1 |
ClPSN3O3C14H15 |
ABCD3E3F14G15 |
-94.47 |
4.04 |
-9.29 |
-1.14 |
0 |
|
|
396100 |
135027383 |
1 |
ClPSN3O3C15H17 |
ABCD3E3F15G17 |
-108.3 |
3.95 |
-9.2 |
-1.17 |
0 |
|
|
396101 |
135027384 |
1 |
PSN3O3C16H20 |
ABC3D3E16F20 |
-109.52 |
1.93 |
-8.95 |
-0.96 |
0 |
|
|
396102 |
135027385 |
1 |
PSN3O3C14H16 |
ABC3D3E14F16 |
-84.07 |
6.87 |
-9.11 |
-1.21 |
0 |
|
|
396103 |
135027386 |
1 |
ClO2N8H19C23 |
AB2C8D19E23 |
114.67 |
7.12 |
-9.26 |
-1.25 |
0 |
|
|
396104 |
135027387 |
1 |
NSO3C19H21 |
ABC3D19E21 |
-59.14 |
4.76 |
-8.24 |
-0.71 |
0 |
|
|
396105 |
135027388 |
1 |
OSC17H18 |
ABC17D18 |
9.02 |
4.22 |
-9.21 |
-1.0 |
0 |
|
|
396106 |
135027397 |
4 |
OC6H6 |
AB6C6 |
-110.6 |
3.56 |
-9.42 |
-0.46 |
0 |
|
|
396108 |
135027402 |
1 |
OC8H8 |
AB8C8 |
-17.79 |
3.45 |
-9.99 |
-0.56 |
0 |
|
|
396109 |
135027405 |
1 |
N2C15H22 |
A2B15C22 |
13.69 |
1.68 |
-8.6 |
0.66 |
0 |
|
|
396110 |
135027411 |
1 |
NSO2H17C19 |
ABC2D17E19 |
3.48 |
7.0 |
-8.51 |
-0.79 |
0 |
|
|
396111 |
135027417 |
1 |
Si2O7C34H66 |
A2B7C34D66 |
-457.79 |
4.47 |
-8.62 |
0.43 |
0 |
|
|
396112 |
135027418 |
1 |
Si2O7C32H62 |
A2B7C32D62 |
-446.01 |
4.78 |
-8.84 |
0.42 |
0 |
|
|
396113 |
135027420 |
1 |
CuNO4H18C20 |
ABC4D18E20 |
-0.62 |
7.82 |
-8.36 |
-0.52 |
0 |
|
|
396114 |
135027423 |
1 |
OC14H20 |
AB14C20 |
-45.42 |
2.41 |
-9.04 |
0.05 |
0 |
|
|
396115 |
135027430 |
1 |
N2O4C19H20 |
A2B4C19D20 |
-49.55 |
4.67 |
-9.17 |
-0.44 |
0 |
|
|
396116 |
135027440 |
1 |
SiO5C23H38 |
AB5C23D38 |
-259.76 |
3.37 |
-8.59 |
0.23 |
0 |
|
|
396117 |
135027450 |
1 |
N5O6H13C15 |
A5B6C13D15 |
-41.51 |
10.27 |
-9.61 |
-1.72 |
0 |
|
|
396118 |
135027463 |
1 |
NO6C82H135 |
AB6C82D135 |
-419.41 |
3.19 |
-9.46 |
-0.07 |
0 |
|
|
396119 |
135027467 |
1 |
ON4H14C16 |
AB4C14D16 |
84.99 |
4.42 |
-8.99 |
-0.57 |
0 |
|
|
396120 |
135027472 |
1 |
FN2O5H21C22 |
AB2C5D21E22 |
-195.78 |
4.08 |
-8.71 |
-0.44 |
0 |
|
|
396121 |
135027474 |
1 |
O6C27H32 |
A6B27C32 |
-182.15 |
4.8 |
-8.62 |
0.02 |
0 |
|
|
396122 |
135027487 |
1 |
N3O5H25C28 |
A3B5C25D28 |
-113.74 |
6.16 |
-8.39 |
-0.99 |
0 |
|
|
396123 |
135027488 |
1 |
BrSO2N7H12C15 |
ABC2D7E12F15 |
86.22 |
8.09 |
-8.88 |
-1.17 |
0 |
|
|
396124 |
135027489 |
1 |
ClO2F3N7H13C18 |
AB2C3D7E13F18 |
-85.66 |
8.87 |
-9.39 |
-1.13 |
0 |
|
|
396125 |
135027498 |
1 |
ON2H16C18 |
AB2C16D18 |
44.72 |
5.92 |
-8.99 |
-0.72 |
0 |
|
|
396126 |
135027499 |
2 |
NOH8C9 |
ABC8D9 |
14.38 |
6.75 |
-8.76 |
-0.72 |
0 |
|
|
396127 |
135027505 |
1 |
SnO2C20H42 |
AB2C20D42 |
-147.63 |
3.89 |
-9.58 |
0.69 |
0 |
|
|
396128 |
135027510 |
1 |
NSO2H17C22 |
ABC2D17E22 |
27.15 |
3.12 |
-8.71 |
-0.74 |
0 |
|
|
396129 |
135027512 |
1 |
NO3H17C22 |
AB3C17D22 |
-5.62 |
2.03 |
-8.75 |
-0.86 |
0 |
|
|
396130 |
135027513 |
1 |
NO2H23C30 |
AB2C23D30 |
50.22 |
5.27 |
-8.89 |
-0.6 |
0 |
|
|
396131 |
135027515 |
1 |
ClNO3H24C31 |
ABC3D24E31 |
-1.02 |
2.96 |
-8.79 |
-0.77 |
0 |
|
|
396132 |
135027516 |
1 |
Si3O6C37H72 |
A3B6C37D72 |
-485.68 |
1.86 |
-8.76 |
0.01 |
0 |
|
|
396133 |
135027517 |
1 |
NBr2Cl3O3C16H22 |
AB2C3D3E16F22 |
-168.65 |
4.22 |
-10.19 |
-0.97 |
0 |
|
|
396134 |
135027518 |
1 |
NCl3O4C16H20 |
AB3C4D16E20 |
-142.28 |
2.65 |
-9.99 |
-0.88 |
0 |
|
|
396135 |
135027519 |
1 |
NCl3O3C16H20 |
AB3C3D16E20 |
-123.04 |
3.62 |
-9.87 |
-0.53 |
0 |
|
|
396136 |
135027520 |
1 |
NCl3O5C16H20 |
AB3C5D16E20 |
-211.95 |
4.58 |
-9.95 |
-0.67 |
0 |
|
|
396137 |
135027521 |
1 |
BrSN2H13C20 |
ABC2D13E20 |
111.38 |
2.91 |
-8.96 |
-1.16 |
0 |
|
|
396138 |
135027523 |
1 |
ClSN2H13C17 |
ABC2D13E17 |
80.54 |
2.72 |
-9.07 |
-0.86 |
0 |
|
|
396139 |
135027524 |
1 |
FO2N3C13H14 |
AB2C3D13E14 |
-4.77 |
10.24 |
-9.46 |
-1.3 |
0 |
|
|
396140 |
135027527 |
1 |
N2O5C31H36 |
A2B5C31D36 |
-189.84 |
5.59 |
-9.06 |
-0.3 |
0 |
|
|
396141 |
135027532 |
1 |
ON3C20H24 |
AB3C20D24 |
61.2 |
5.36 |
0.0 |
0.0 |
0 |