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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
423159 |
135119031 |
1 |
N2O2C15H22 |
A2B2C15D22 |
-85.53 |
4.67 |
-9.72 |
-0.51 |
0 |
|
|
423160 |
135119034 |
1 |
SN6O7C38H50 |
AB6C7D38E50 |
-219.19 |
4.61 |
-8.86 |
-0.19 |
0 |
|
|
423161 |
135119035 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-40.15 |
5.96 |
-9.35 |
-0.84 |
0 |
|
|
423163 |
135119037 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-75.83 |
3.9 |
-9.01 |
-0.41 |
0 |
|
|
423164 |
135119038 |
2 |
ON2C9H11 |
AB2C9D11 |
-34.47 |
4.39 |
-9.15 |
-0.51 |
0 |
|
|
423165 |
135119039 |
1 |
ON4C21H22 |
AB4C21D22 |
49.51 |
6.71 |
-8.84 |
-0.98 |
0 |
|
|
423166 |
135119040 |
1 |
FSN5C12H16 |
ABC5D12E16 |
20.84 |
5.15 |
-8.42 |
-0.45 |
0 |
|
|
423167 |
135119041 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-17.13 |
2.35 |
-8.82 |
-0.12 |
0 |
|
|
423168 |
135119043 |
1 |
N6O7C35H46 |
A6B7C35D46 |
-292.34 |
7.67 |
-9.38 |
-0.46 |
0 |
|
|
423169 |
135119045 |
1 |
OSN2C20H26 |
ABC2D20E26 |
-10.47 |
4.53 |
-8.48 |
-0.44 |
0 |
|
|
423170 |
135119046 |
1 |
FN5O6C34H40 |
AB5C6D34E40 |
-174.6 |
3.98 |
-8.96 |
-0.49 |
0 |
|
|
423172 |
135119048 |
1 |
NO3C22H29 |
AB3C22D29 |
-105.73 |
2.28 |
-8.03 |
-0.19 |
0 |
|
|
423173 |
135119049 |
1 |
SN4O5C17H22 |
AB4C5D17E22 |
-116.16 |
5.41 |
-8.96 |
-1.02 |
0 |
|
|
423174 |
135119050 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-75.73 |
3.15 |
-8.99 |
-0.45 |
0 |
|
|
423175 |
135119051 |
1 |
O2N4C19H22 |
A2B4C19D22 |
-1.27 |
1.43 |
-9.29 |
-0.92 |
0 |
|
|
423176 |
135119052 |
1 |
NSO4C20H31 |
ABC4D20E31 |
-185.49 |
5.64 |
-9.15 |
-0.38 |
0 |
|
|
423177 |
135119053 |
1 |
N3O3C18H31 |
A3B3C18D31 |
-142.1 |
6.51 |
-8.72 |
0.57 |
0 |
|
|
423178 |
135119054 |
1 |
SO4N5C16H25 |
AB4C5D16E25 |
-124.65 |
11.27 |
-8.94 |
-0.44 |
0 |
|
|
423179 |
135119055 |
1 |
O3N6C20H24 |
A3B6C20D24 |
2.63 |
3.17 |
-9.41 |
-1.2 |
0 |
|
|
423180 |
135119056 |
1 |
FSN3O4C17H26 |
ABC3D4E17F26 |
-194.76 |
6.25 |
-9.23 |
-0.11 |
0 |
|
|
423181 |
135119057 |
1 |
SN2O2C14H20 |
AB2C2D14E20 |
60.56 |
3.98 |
-9.02 |
-0.79 |
0 |
|
|
423182 |
135119058 |
1 |
ON5C16H23 |
AB5C16D23 |
0.37 |
7.17 |
-8.72 |
0.17 |
0 |
|
|
423183 |
135119059 |
1 |
N4O5C20H22 |
A4B5C20D22 |
-107.7 |
3.46 |
-9.22 |
-1.14 |
0 |
|
|
423184 |
135119060 |
1 |
ClN6O8C35H45 |
AB6C8D35E45 |
-331.05 |
2.29 |
-9.13 |
-0.67 |
0 |
|
|
423185 |
135119061 |
1 |
FO2N4C16H19 |
AB2C4D16E19 |
-81.06 |
6.47 |
-9.41 |
-0.62 |
0 |
|
|
423186 |
135119063 |
1 |
SF2N4O4C13H20 |
AB2C4D4E13F20 |
-232.97 |
5.83 |
-9.87 |
-0.67 |
0 |
|
|
423187 |
135119064 |
1 |
SO6N7C37H45 |
AB6C7D37E45 |
-170.5 |
4.21 |
-9.09 |
-1.17 |
0 |
|
|
423188 |
135119065 |
1 |
N5O7C32H49 |
A5B7C32D49 |
-307.15 |
3.0 |
-8.89 |
0.03 |
0 |
|
|
423189 |
135119067 |
1 |
ClN5C15H18 |
AB5C15D18 |
39.34 |
6.14 |
-8.87 |
-0.38 |
0 |
|
|
423190 |
135119069 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-71.36 |
6.24 |
-8.36 |
0.04 |
0 |
|
|
423191 |
135119070 |
1 |
NO4C18H23 |
AB4C18D23 |
-159.38 |
3.71 |
-9.65 |
-0.02 |
0 |
|
|
423192 |
135119072 |
1 |
N2S2O3C16H24 |
A2B2C3D16E24 |
-120.96 |
3.9 |
-8.7 |
0.02 |
0 |
|
|
423193 |
135119073 |
2 |
O2N3C14H17 |
A2B3C14D17 |
-124.0 |
6.75 |
-8.53 |
-0.08 |
0 |
|
|
423194 |
135119074 |
1 |
NO3C18H25 |
AB3C18D25 |
-139.82 |
6.51 |
-8.94 |
-0.01 |
0 |
|
|
423195 |
135119075 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-47.18 |
6.19 |
-9.01 |
-0.1 |
0 |
|
|
423196 |
135119077 |
1 |
ON7C15H21 |
AB7C15D21 |
24.06 |
2.9 |
-8.75 |
-0.3 |
0 |
|
|
423197 |
135119079 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-72.66 |
4.48 |
-8.26 |
0.2 |
0 |
|
|
423199 |
135119090 |
1 |
N6O7C34H46 |
A6B7C34D46 |
-286.12 |
4.77 |
-8.9 |
0.09 |
0 |
|
|
423200 |
135119091 |
1 |
FN3O4C19H26 |
AB3C4D19E26 |
-148.57 |
4.62 |
-9.1 |
-1.04 |
0 |
|
|
423201 |
135119098 |
1 |
SN2O4C19H22 |
AB2C4D19E22 |
-105.92 |
2.27 |
-9.14 |
-0.27 |
0 |
|
|
423202 |
135119102 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-94.46 |
8.23 |
-8.92 |
-0.22 |
0 |
|
|
423203 |
135119105 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-54.76 |
3.25 |
-8.44 |
-0.28 |
0 |
|
|
423204 |
135119108 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-188.23 |
5.25 |
-8.84 |
0.06 |
0 |
|
|
423205 |
135119116 |
1 |
OSN4C20H22 |
ABC4D20E22 |
27.9 |
6.76 |
-8.52 |
-0.69 |
0 |
|
|
423206 |
135119117 |
1 |
SN4O4C14H24 |
AB4C4D14E24 |
-141.46 |
2.76 |
-9.24 |
0.16 |
0 |
|
|
423207 |
135119119 |
1 |
ON4C17H24 |
AB4C17D24 |
0.1 |
5.39 |
-9.13 |
0.08 |
0 |
|
|
423208 |
135119120 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-9.77 |
6.69 |
-9.38 |
0.23 |
0 |
|
|
423209 |
135119121 |
1 |
OSN4C20H28 |
ABC4D20E28 |
-28.04 |
2.37 |
-8.45 |
-0.47 |
0 |
|
|
423210 |
135119122 |
1 |
O7N8C35H52 |
A7B8C35D52 |
-316.03 |
4.91 |
-8.55 |
-0.09 |
0 |
|
|
423211 |
135119123 |
1 |
F3O5N6C28H31 |
A3B5C6D28E31 |
-212.15 |
8.15 |
-8.85 |
-2.71 |
0 |
|
|
423212 |
135119124 |
1 |
NOCl2C16H21 |
ABC2D16E21 |
-61.85 |
2.59 |
-8.95 |
-0.38 |
0 |
|
|
423213 |
135119125 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-131.6 |
8.17 |
-9.14 |
-0.48 |
0 |
|
|
423214 |
135119127 |
1 |
O4N5C18H23 |
A4B5C18D23 |
-76.72 |
5.04 |
-9.26 |
-0.9 |
0 |
|
|
423215 |
135119128 |
2 |
ON2C7H9 |
AB2C7D9 |
-38.35 |
2.44 |
-9.4 |
-0.08 |
0 |
|
|
423216 |
135119129 |
1 |
SO3N4C16H26 |
AB3C4D16E26 |
-124.12 |
2.56 |
-8.95 |
-0.39 |
0 |
|
|
423217 |
135119130 |
1 |
FO2N4H17C19 |
AB2C4D17E19 |
-35.32 |
7.22 |
-8.6 |
-1.32 |
0 |
|
|
423218 |
135119131 |
1 |
ClFN3O4C17H19 |
ABC3D4E17F19 |
-145.13 |
2.48 |
-9.52 |
-1.26 |
0 |
|
|
423219 |
135119132 |
1 |
ClSN2O2C20H23 |
ABC2D2E20F23 |
-43.84 |
6.32 |
-8.8 |
-0.44 |
0 |
|
|
423220 |
135119133 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-129.49 |
5.82 |
-8.93 |
0.52 |
0 |
|
|
423221 |
135119134 |
2 |
ON2C7H11 |
AB2C7D11 |
-50.48 |
8.68 |
-8.86 |
-1.18 |
0 |
|
|
423222 |
135119135 |
1 |
N2O3F4H18C19 |
A2B3C4D18E19 |
-279.38 |
5.53 |
-10.01 |
-1.05 |
0 |
|
|
423223 |
135119136 |
1 |
OSN3C21H23 |
ABC3D21E23 |
16.43 |
3.97 |
-8.37 |
-0.6 |
0 |
|
|
423224 |
135119137 |
1 |
FO2N4C20H23 |
AB2C4D20E23 |
-101.47 |
4.69 |
-9.61 |
-0.55 |
0 |
|
|
423225 |
135119139 |
1 |
OSN5C14H21 |
ABC5D14E21 |
11.38 |
7.67 |
-8.84 |
-0.7 |
0 |
|
|
423226 |
135119140 |
1 |
N3O3C12H17 |
A3B3C12D17 |
-111.06 |
5.17 |
-9.16 |
-0.51 |
0 |
|
|
423227 |
135119141 |
2 |
NO2C11H13 |
AB2C11D13 |
-69.68 |
5.13 |
-8.72 |
-0.52 |
0 |
|
|
423228 |
135119142 |
1 |
ON3C15H23 |
AB3C15D23 |
-26.63 |
4.88 |
-8.21 |
0.08 |
0 |
|
|
423229 |
135119144 |
1 |
ClN2O3C18H23 |
AB2C3D18E23 |
-138.3 |
2.93 |
-9.14 |
-0.38 |
0 |
|
|
423230 |
135119147 |
1 |
FO2N5C18H20 |
AB2C5D18E20 |
-51.57 |
5.72 |
-8.94 |
-0.76 |
0 |
|
|
423231 |
135119148 |
1 |
O3N5C16H17 |
A3B5C16D17 |
-1.87 |
7.91 |
-9.47 |
-1.4 |
0 |
|
|
423232 |
135119150 |
1 |
ClO2N4C16H19 |
AB2C4D16E19 |
-33.49 |
2.79 |
-9.53 |
-0.55 |
0 |
|
|
423233 |
135119151 |
2 |
ON2C11H13 |
AB2C11D13 |
-24.69 |
6.04 |
-8.18 |
-0.09 |
0 |
|
|
423234 |
135119152 |
1 |
ON7C17H27 |
AB7C17D27 |
34.02 |
5.07 |
-9.57 |
0.21 |
0 |
|
|
423235 |
135119153 |
1 |
N3O4C17H27 |
A3B4C17D27 |
-181.13 |
4.16 |
-9.41 |
0.55 |
0 |
|
|
423236 |
135119154 |
2 |
ON2C11H12 |
AB2C11D12 |
5.14 |
4.96 |
-8.37 |
-0.02 |
0 |
|
|
423237 |
135119155 |
1 |
O2N5C17H27 |
A2B5C17D27 |
-70.64 |
4.81 |
-8.55 |
0.28 |
0 |
|
|
423238 |
135119156 |
1 |
N3O3C15H25 |
A3B3C15D25 |
-120.9 |
5.86 |
-8.93 |
0.53 |
0 |
|
|
423239 |
135119157 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-102.66 |
6.38 |
-8.98 |
-0.26 |
0 |
|
|
423240 |
135119159 |
1 |
ClNSO6C17H22 |
ABCD6E17F22 |
-229.82 |
8.77 |
-9.71 |
-0.97 |
0 |
|
|
423241 |
135119161 |
1 |
N2O2C23H36 |
A2B2C23D36 |
-108.82 |
3.69 |
-9.04 |
0.49 |
0 |
|
|
423242 |
135119162 |
1 |
NSO6C22H27 |
ABC6D22E27 |
-230.92 |
7.4 |
-9.53 |
-0.84 |
0 |
|
|
423244 |
135119164 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-88.86 |
3.0 |
-9.45 |
0.21 |
0 |
|
|
423245 |
135119165 |
1 |
ClFON3C14H17 |
ABCD3E14F17 |
-46.3 |
3.53 |
-9.25 |
-0.73 |
0 |
|
|
423246 |
135119166 |
1 |
NO3C22H25 |
AB3C22D25 |
-93.19 |
3.47 |
-9.11 |
-0.48 |
0 |
|
|
423247 |
135119167 |
1 |
NSO3C16H21 |
ABC3D16E21 |
-114.81 |
1.93 |
-9.16 |
-0.22 |
0 |
|
|
423248 |
135119169 |
1 |
ON5C12H17 |
AB5C12D17 |
38.95 |
3.12 |
-9.59 |
-0.69 |
0 |
|
|
423249 |
135119170 |
2 |
ON2C10H15 |
AB2C10D15 |
-55.53 |
5.54 |
-8.68 |
0.23 |
0 |
|
|
423250 |
135119171 |
1 |
O3N6C16H26 |
A3B6C16D26 |
-111.08 |
5.25 |
-8.79 |
0.32 |
0 |
|
|
423251 |
135119172 |
1 |
SO4N8C36H50 |
AB4C8D36E50 |
-110.38 |
8.75 |
-9.22 |
-1.08 |
0 |
|
|
423252 |
135119173 |
1 |
SN3O5C14H21 |
AB3C5D14E21 |
-179.43 |
4.16 |
-9.56 |
-0.51 |
0 |
|
|
423253 |
135119174 |
1 |
O2N5C23H25 |
A2B5C23D25 |
30.15 |
4.49 |
-7.98 |
-0.86 |
0 |
|
|
423254 |
135119175 |
2 |
N3O3C19H25 |
A3B3C19D25 |
-250.23 |
7.14 |
-8.86 |
-0.72 |
0 |
|
|
423256 |
135119189 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-80.6 |
1.55 |
-9.0 |
-0.09 |
0 |
|
|
423257 |
135119191 |
1 |
ON3C24H27 |
AB3C24D27 |
-4.55 |
3.73 |
-8.39 |
-0.26 |
0 |
|
|
423258 |
135119197 |
1 |
FN2O2C16H19 |
AB2C2D16E19 |
-97.03 |
6.14 |
-8.82 |
-0.55 |
0 |
|
|
423259 |
135119198 |
1 |
NO4C22H29 |
AB4C22D29 |
-153.72 |
6.35 |
-8.83 |
0.35 |
0 |
|
|
423260 |
135119200 |
2 |
O2N3C15H21 |
A2B3C15D21 |
-155.15 |
5.42 |
-9.32 |
-0.47 |
0 |
|
|
423261 |
135119201 |
1 |
OSN4C15H22 |
ABC4D15E22 |
3.51 |
7.11 |
-9.0 |
-0.58 |
0 |
|
|
423262 |
135119202 |
1 |
O5N9C38H45 |
A5B9C38D45 |
-82.62 |
10.89 |
-9.39 |
-1.07 |
0 |
|
|
423263 |
135119208 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-79.04 |
5.9 |
-9.15 |
-1.32 |
0 |