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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
71052 |
48414224 |
2 |
ON2C10H10 |
AB2C10D10 |
-8.55 |
6.86 |
-8.98 |
-0.49 |
0 |
|
|
71053 |
48414225 |
2 |
ON2C10H13 |
AB2C10D13 |
-53.6 |
2.86 |
-9.35 |
0.27 |
0 |
|
|
71054 |
48414227 |
1 |
O3N4C11H18 |
A3B4C11D18 |
-117.3 |
5.21 |
-9.62 |
0.42 |
0 |
|
|
71055 |
48414228 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-128.29 |
5.31 |
-9.45 |
0.29 |
0 |
|
|
71056 |
48414229 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-76.33 |
3.21 |
-9.07 |
0.1 |
0 |
|
|
71057 |
48414230 |
1 |
ON5C16H19 |
AB5C16D19 |
15.94 |
4.47 |
-9.16 |
-0.33 |
0 |
|
|
71058 |
48414232 |
1 |
SO3N4C17H22 |
AB3C4D17E22 |
-74.49 |
4.92 |
-9.5 |
-0.75 |
0 |
|
|
71059 |
48414233 |
1 |
FOSN4C17H17 |
ABCD4E17F17 |
-17.28 |
1.63 |
-9.47 |
-1.05 |
0 |
|
|
71060 |
48414234 |
1 |
O2N4C13H20 |
A2B4C13D20 |
-71.87 |
4.05 |
-9.79 |
0.25 |
0 |
|
|
71061 |
48414235 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-21.25 |
7.5 |
-9.03 |
-0.19 |
0 |
|
|
71062 |
48414238 |
1 |
O3N4C12H14 |
A3B4C12D14 |
-60.49 |
4.66 |
-9.74 |
-0.11 |
0 |
|
|
71063 |
48414239 |
1 |
FO2N4H17C19 |
AB2C4D17E19 |
-48.1 |
6.38 |
-9.22 |
-0.87 |
0 |
|
|
71064 |
48414240 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-51.43 |
8.28 |
-9.02 |
-0.3 |
0 |
|
|
71065 |
48414241 |
1 |
OSN4C17H18 |
ABC4D17E18 |
30.7 |
2.71 |
-9.42 |
-0.93 |
0 |
|
|
71066 |
48414242 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-74.22 |
6.83 |
-9.48 |
-0.48 |
0 |
|
|
71067 |
48414244 |
1 |
ON6C15H20 |
AB6C15D20 |
21.22 |
1.95 |
-9.0 |
-0.25 |
0 |
|
|
71068 |
48414245 |
1 |
ON4C18H20 |
AB4C18D20 |
7.12 |
2.83 |
-8.3 |
-0.47 |
0 |
|
|
71069 |
48414246 |
1 |
ON6C15H20 |
AB6C15D20 |
27.19 |
6.24 |
-9.12 |
-0.65 |
0 |
|
|
71070 |
48414248 |
1 |
O2N4C19H20 |
A2B4C19D20 |
-18.41 |
4.59 |
-9.3 |
-1.01 |
0 |
|
|
71071 |
48414249 |
1 |
N4O5C19H24 |
A4B5C19D24 |
-144.28 |
9.65 |
-8.28 |
0.08 |
0 |
|
|
71072 |
48414250 |
1 |
SO3N4C17H22 |
AB3C4D17E22 |
-76.99 |
3.33 |
-9.64 |
-0.89 |
0 |
|
|
71073 |
48414251 |
1 |
S2O3N4C19H20 |
A2B3C4D19E20 |
-33.86 |
3.45 |
-9.04 |
-0.92 |
0 |
|
|
71074 |
48414253 |
1 |
BrO2N4C16H17 |
AB2C4D16E17 |
-29.44 |
8.99 |
-8.96 |
-0.22 |
0 |
|
|
71075 |
48414254 |
1 |
SN4O4C18H24 |
AB4C4D18E24 |
-120.52 |
2.87 |
-9.41 |
-0.82 |
0 |
|
|
71076 |
48414255 |
1 |
BrO2N4C17H19 |
AB2C4D17E19 |
-34.71 |
5.18 |
-8.74 |
-0.18 |
0 |
|
|
71077 |
48414256 |
2 |
ON2C10H13 |
AB2C10D13 |
-55.24 |
1.64 |
-8.71 |
0.0 |
0 |
|
|
71078 |
48414259 |
1 |
SO2N4C18H20 |
AB2C4D18E20 |
-12.05 |
5.52 |
-8.87 |
-1.14 |
0 |
|
|
71079 |
48414260 |
1 |
BrON5C17H18 |
ABC5D17E18 |
45.08 |
1.47 |
-9.18 |
-0.84 |
0 |
|
|
71080 |
48414261 |
1 |
O2N5C18H21 |
A2B5C18D21 |
-31.8 |
4.22 |
-9.15 |
-0.67 |
0 |
|
|
71081 |
48414262 |
1 |
BrON5H14C15 |
ABC5D14E15 |
65.6 |
1.57 |
-9.42 |
-1.2 |
0 |
|
|
71082 |
48414263 |
1 |
FO2N4H15C16 |
AB2C4D15E16 |
-23.55 |
4.93 |
-9.71 |
-0.71 |
0 |
|
|
71083 |
48414264 |
1 |
O2N6C17H22 |
A2B6C17D22 |
-5.83 |
11.13 |
-8.99 |
-1.14 |
0 |
|
|
71084 |
48414265 |
1 |
ON4H20C21 |
AB4C20D21 |
55.91 |
4.67 |
-8.56 |
-0.36 |
0 |
|
|
71085 |
48414268 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-75.67 |
4.2 |
-9.39 |
0.69 |
0 |
|
|
71086 |
48414270 |
1 |
OF2N5H17C18 |
AB2C5D17E18 |
-29.45 |
4.7 |
-9.36 |
-1.1 |
0 |
|
|
71087 |
48414271 |
1 |
BrO2N3H16C17 |
AB2C3D16E17 |
-8.6 |
0.76 |
-9.01 |
-0.94 |
0 |
|
|
71088 |
48414273 |
1 |
ON5C20H23 |
AB5C20D23 |
40.63 |
5.39 |
-9.07 |
-0.52 |
0 |
|
|
71089 |
48414275 |
1 |
OF2N5C17H17 |
AB2C5D17E17 |
-51.2 |
2.16 |
-9.43 |
-0.94 |
0 |
|
|
71090 |
48414276 |
1 |
BrO3N4H15C17 |
AB3C4D15E17 |
-24.0 |
4.71 |
-9.25 |
-1.15 |
0 |
|
|
71091 |
48414277 |
1 |
ON3C17H23 |
AB3C17D23 |
-18.08 |
6.88 |
-9.29 |
0.25 |
0 |
|
|
71092 |
48414278 |
1 |
BrO3N4H17C18 |
AB3C4D17E18 |
-33.46 |
3.8 |
-9.04 |
-1.1 |
0 |
|
|
71093 |
48414279 |
1 |
BrN3O3H16C17 |
AB3C3D16E17 |
-24.06 |
4.03 |
-9.43 |
-0.53 |
0 |
|
|
71094 |
48414280 |
1 |
FO2N4C15H17 |
AB2C4D15E17 |
-84.97 |
4.95 |
-9.73 |
-0.26 |
0 |
|
|
71095 |
48414281 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-61.39 |
2.02 |
-8.76 |
0.26 |
0 |
|
|
71096 |
48414282 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-57.14 |
3.65 |
-8.92 |
0.3 |
0 |
|
|
71097 |
48414283 |
1 |
BrO2N3C15H18 |
AB2C3D15E18 |
-38.4 |
5.91 |
-9.08 |
-0.39 |
0 |
|
|
71098 |
48414284 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-62.05 |
1.75 |
-8.78 |
0.25 |
0 |
|
|
71099 |
48414285 |
1 |
BrN3O3H16C17 |
AB3C3D16E17 |
-26.3 |
2.49 |
-9.19 |
-0.77 |
0 |
|
|
71100 |
48414287 |
2 |
ON2C7H7 |
AB2C7D7 |
6.16 |
2.44 |
-9.66 |
-0.95 |
0 |
|
|
71101 |
48414288 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-38.85 |
6.86 |
-8.78 |
-0.3 |
0 |
|
|
71102 |
48414290 |
1 |
O3N5C16H17 |
A3B5C16D17 |
-80.47 |
1.89 |
-9.71 |
-1.24 |
0 |
|
|
71103 |
48414291 |
1 |
ON2C18H28 |
AB2C18D28 |
6.21 |
3.8 |
-8.66 |
1.02 |
0 |
|
|
71104 |
48414292 |
1 |
O3N4C20H30 |
A3B4C20D30 |
-138.5 |
4.24 |
-8.73 |
-1.23 |
0 |
|
|
71105 |
48414293 |
1 |
O4N5C21H23 |
A4B5C21D23 |
0.57 |
6.46 |
-9.15 |
-1.14 |
0 |
|
|
71106 |
48414294 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-65.71 |
3.18 |
-8.61 |
-0.74 |
0 |
|
|
71107 |
48414296 |
1 |
O2N5C23H23 |
A2B5C23D23 |
63.91 |
2.56 |
-9.65 |
-0.8 |
0 |
|
|
71108 |
48414297 |
1 |
O2N5H19C20 |
A2B5C19D20 |
56.83 |
5.15 |
-9.29 |
-0.8 |
0 |
|
|
71109 |
48414299 |
1 |
ClO3N4C21H21 |
AB3C4D21E21 |
-33.81 |
4.86 |
-9.61 |
-0.68 |
0 |
|
|
71110 |
48414301 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-40.51 |
4.11 |
-9.61 |
-0.73 |
0 |
|
|
71111 |
48414302 |
1 |
O2N6H18C19 |
A2B6C18D19 |
81.54 |
4.59 |
-9.68 |
-1.34 |
0 |
|
|
71112 |
48414303 |
1 |
SN4O4C20H22 |
AB4C4D20E22 |
-55.16 |
1.13 |
-9.64 |
-0.98 |
0 |
|
|
71113 |
48414305 |
1 |
FO3N4C21H21 |
AB3C4D21E21 |
-69.83 |
4.36 |
-9.68 |
-0.85 |
0 |
|
|
71114 |
48414306 |
1 |
SO2N6C19H24 |
AB2C6D19E24 |
24.45 |
0.94 |
-8.85 |
-0.78 |
0 |
|
|
71115 |
48414307 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-54.37 |
3.2 |
-9.52 |
-0.75 |
0 |
|
|
71116 |
48414310 |
1 |
FO3N4C21H21 |
AB3C4D21E21 |
-70.76 |
6.03 |
-9.54 |
-0.9 |
0 |
|
|
71117 |
48414313 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-30.08 |
6.54 |
-9.54 |
-0.89 |
0 |
|
|
71118 |
48414314 |
1 |
O2N4C21H24 |
A2B4C21D24 |
18.68 |
6.9 |
-8.54 |
-0.65 |
0 |
|
|
71119 |
48414315 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-12.94 |
17.81 |
-7.22 |
-1.78 |
0 |
|
|
71120 |
48414316 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-57.16 |
3.62 |
-9.65 |
-0.76 |
0 |
|
|
71121 |
48414321 |
1 |
F3N3O3C17H20 |
A3B3C3D17E20 |
-214.34 |
4.08 |
-9.66 |
-0.8 |
0 |
|
|
71122 |
48414323 |
1 |
ClO2N5H18C20 |
AB2C5D18E20 |
46.94 |
1.28 |
-9.54 |
-1.11 |
0 |
|
|
71123 |
48414324 |
1 |
O2N3C22H25 |
A2B3C22D25 |
1.37 |
4.34 |
-9.39 |
-0.76 |
0 |
|
|
71124 |
48414325 |
1 |
O3N6C22H22 |
A3B6C22D22 |
48.71 |
5.99 |
-9.75 |
-1.19 |
0 |
|
|
71125 |
48414326 |
1 |
O2N5C19H23 |
A2B5C19D23 |
18.56 |
6.41 |
-9.52 |
-0.64 |
0 |
|
|
71126 |
48414328 |
1 |
F2O2N3C21H21 |
A2B2C3D21E21 |
-85.36 |
2.77 |
-9.72 |
-0.84 |
0 |
|
|
71127 |
48414329 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-17.2 |
5.96 |
-9.5 |
-0.95 |
0 |
|
|
71128 |
48414330 |
1 |
N4O4H22C23 |
A4B4C22D23 |
5.64 |
4.07 |
-9.19 |
-0.92 |
0 |
|
|
71129 |
48414332 |
1 |
O3N5C23H25 |
A3B5C23D25 |
-20.47 |
4.37 |
-9.67 |
-0.83 |
0 |
|
|
71130 |
48414334 |
1 |
FO3N4C22H23 |
AB3C4D22E23 |
-78.75 |
6.73 |
-9.66 |
-0.78 |
0 |
|
|
71131 |
48414335 |
1 |
O3N4C24H26 |
A3B4C24D26 |
-33.63 |
8.63 |
-8.9 |
-0.65 |
0 |
|
|
71132 |
48414336 |
1 |
SO2N5C15H15 |
AB2C5D15E15 |
55.23 |
3.91 |
-9.7 |
-1.35 |
0 |
|
|
71133 |
48414338 |
1 |
SN3O4C19H27 |
AB3C4D19E27 |
-150.09 |
4.46 |
-8.86 |
-0.25 |
0 |
|
|
71134 |
48414341 |
1 |
FN3O4C22H26 |
AB3C4D22E26 |
-163.57 |
4.48 |
-8.95 |
-0.45 |
0 |
|
|
71135 |
48414342 |
1 |
FN2O4C23H25 |
AB2C4D23E25 |
-144.6 |
2.87 |
-8.73 |
-1.07 |
0 |
|
|
71136 |
48414343 |
1 |
SCl2N2O3C18H20 |
AB2C2D3E18F20 |
-72.77 |
5.96 |
-8.76 |
-1.05 |
0 |
|
|
71137 |
48414344 |
1 |
N2O5C22H28 |
A2B5C22D28 |
-147.74 |
5.14 |
-8.58 |
0.05 |
0 |
|
|
71138 |
48414345 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-94.73 |
4.59 |
-8.62 |
0.22 |
0 |
|
|
71139 |
48414347 |
1 |
ClN3O3C19H22 |
AB3C3D19E22 |
-69.7 |
5.15 |
-8.81 |
-0.96 |
0 |
|
|
71140 |
48414349 |
2 |
NO2C10H16 |
AB2C10D16 |
-163.49 |
4.35 |
-9.0 |
-0.06 |
0 |
|
|
71141 |
48414351 |
1 |
F2N2O3C22H26 |
A2B2C3D22E26 |
-180.49 |
3.6 |
-8.91 |
-0.33 |
0 |
|
|
71142 |
48414352 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-109.99 |
3.3 |
-8.81 |
-0.47 |
0 |
|
|
71143 |
48414353 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-133.32 |
4.07 |
-8.8 |
0.13 |
0 |
|
|
71144 |
48414355 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-164.48 |
5.64 |
-8.93 |
0.09 |
0 |
|
|
71145 |
48414356 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-124.85 |
5.86 |
-8.84 |
-0.27 |
0 |
|
|
71146 |
48414358 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-80.08 |
7.51 |
-8.94 |
-0.97 |
0 |
|
|
71147 |
48414359 |
1 |
SO3N4C16H20 |
AB3C4D16E20 |
-36.97 |
6.6 |
-8.98 |
-1.35 |
0 |
|
|
71148 |
48414360 |
2 |
FNOC8H9 |
ABCD8E9 |
-106.57 |
3.33 |
-8.92 |
-0.59 |
0 |
|
|
71149 |
48414361 |
2 |
NOC10H14 |
ABC10D14 |
-23.4 |
2.91 |
-8.92 |
0.13 |
0 |
|
|
71150 |
48414363 |
2 |
ON2C10H12 |
AB2C10D12 |
-4.56 |
3.17 |
-8.82 |
-0.97 |
0 |
|
|
71151 |
48414364 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-21.06 |
4.25 |
-9.65 |
-0.77 |
0 |