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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
392181 |
135013555 |
1 |
NO3H17C18 |
AB3C17D18 |
-56.15 |
2.63 |
-9.47 |
-0.53 |
0 |
|
|
392182 |
135013556 |
1 |
NO3H17C18 |
AB3C17D18 |
-66.61 |
3.63 |
-9.34 |
-0.23 |
0 |
|
|
392183 |
135013557 |
1 |
NO6H19C21 |
AB6C19D21 |
-152.86 |
3.62 |
-8.76 |
-1.03 |
0 |
|
|
392184 |
135013558 |
1 |
NO7C21H21 |
AB7C21D21 |
-196.67 |
6.82 |
-8.53 |
-0.32 |
0 |
|
|
392186 |
135013562 |
1 |
SiN2O7C30H40 |
AB2C7D30E40 |
-321.34 |
8.99 |
-9.08 |
-0.7 |
0 |
|
|
392187 |
135013567 |
1 |
SnO2C21H42 |
AB2C21D42 |
-101.32 |
2.76 |
-9.38 |
0.98 |
1 |
|
|
392188 |
135013579 |
1 |
N2O3C30H43 |
A2B3C30D43 |
-107.97 |
3.69 |
0.0 |
0.0 |
0 |
|
|
392189 |
135013580 |
1 |
BON2C15H27 |
ABC2D15E27 |
-103.1 |
5.23 |
-8.71 |
-0.14 |
0 |
|
|
392190 |
135013583 |
1 |
NSiO5C32H55 |
ABC5D32E55 |
-307.13 |
2.39 |
-8.8 |
-0.18 |
0 |
|
|
392191 |
135013584 |
1 |
SO5C15H16 |
AB5C15D16 |
-165.88 |
10.93 |
-10.51 |
-0.9 |
0 |
|
|
392192 |
135013591 |
1 |
NF3O4C15H18 |
AB3C4D15E18 |
-240.01 |
2.02 |
-10.22 |
-0.25 |
0 |
|
|
392193 |
135013599 |
1 |
SN2O4H6C10 |
AB2C4D6E10 |
45.37 |
7.35 |
-10.07 |
-2.0 |
0 |
|
|
392194 |
135013607 |
1 |
O5C19H30 |
A5B19C30 |
-233.6 |
3.25 |
-9.64 |
0.07 |
0 |
|
|
392195 |
135013628 |
1 |
ON6H34C47 |
AB6C34D47 |
206.68 |
7.95 |
-8.78 |
-0.96 |
0 |
|
|
392196 |
135013643 |
2 |
NOC11H14 |
ABC11D14 |
-23.73 |
4.1 |
-8.51 |
0.23 |
0 |
|
|
392197 |
135013645 |
2 |
N2F3O15H41C44 |
A2B3C15D41E44 |
-1388.88 |
10.18 |
-8.23 |
-1.91 |
0 |
|
|
392198 |
135013652 |
1 |
NSiO5C21H35 |
ABC5D21E35 |
-252.77 |
1.27 |
-8.85 |
0.04 |
0 |
|
|
392199 |
135013654 |
1 |
SO2N3H17C18 |
AB2C3D17E18 |
74.63 |
4.03 |
-8.83 |
-0.61 |
0 |
|
|
392200 |
135013655 |
1 |
O2S2N3H23C24 |
A2B2C3D23E24 |
61.16 |
2.65 |
-8.53 |
-0.52 |
0 |
|
|
392201 |
135013662 |
1 |
PSiO11C41H69 |
ABC11D41E69 |
-600.26 |
3.87 |
-8.87 |
-0.23 |
0 |
|
|
392202 |
135013663 |
1 |
SiO7C39H62 |
AB7C39D62 |
-347.17 |
3.68 |
-9.01 |
-0.3 |
0 |
|
|
392203 |
135013664 |
1 |
INO2H18C26 |
ABC2D18E26 |
69.76 |
6.24 |
-9.53 |
-1.39 |
0 |
|
|
392204 |
135013666 |
1 |
Br4N4H7F15C37 |
A4B4C7D15E37 |
-321.63 |
4.67 |
-9.34 |
-2.24 |
0 |
|
|
392205 |
135013679 |
1 |
Si2O3C25H50 |
A2B3C25D50 |
-243.66 |
3.57 |
-8.78 |
0.94 |
0 |
|
|
392206 |
135013680 |
1 |
O4C13H22 |
A4B13C22 |
-188.77 |
1.94 |
-9.74 |
0.93 |
0 |
|
|
392207 |
135013682 |
1 |
SiN3O5C19H27 |
AB3C5D19E27 |
-164.86 |
2.38 |
-9.18 |
-0.32 |
0 |
|
|
392208 |
135013685 |
1 |
Si2N3O5C24H37 |
A2B3C5D24E37 |
-185.38 |
4.4 |
-9.04 |
0.0 |
0 |
|
|
392209 |
135013687 |
1 |
N4O7C29H38 |
A4B7C29D38 |
-259.09 |
6.77 |
-9.44 |
0.05 |
0 |
|
|
392210 |
135013688 |
1 |
N4O6C29H36 |
A4B6C29D36 |
-200.67 |
3.46 |
-9.46 |
-0.17 |
0 |
|
|
392211 |
135013689 |
1 |
O2Si3C31H64 |
A2B3C31D64 |
-266.74 |
1.57 |
-8.8 |
1.01 |
0 |
|
|
392212 |
135013693 |
1 |
N3O3H19C21 |
A3B3C19D21 |
-32.52 |
6.0 |
-9.14 |
-1.2 |
0 |
|
|
392213 |
135013705 |
1 |
SN2O26C41H56 |
AB2C26D41E56 |
-1178.29 |
7.74 |
-8.81 |
-0.05 |
0 |
|
|
392214 |
135013706 |
1 |
SN3O13C27H35 |
AB3C13D27E35 |
-546.72 |
6.94 |
-8.86 |
-0.34 |
0 |
|
|
392215 |
135013707 |
1 |
SN3O13H43C47 |
AB3C13D43E47 |
-401.78 |
2.92 |
-8.5 |
-0.84 |
1 |
|
|
392216 |
135013716 |
1 |
PSN2C20H26 |
ABC2D20E26 |
-22.88 |
5.6 |
0.0 |
0.0 |
0 |
|
|
392217 |
135013720 |
1 |
N2F3O4H29C30 |
A2B3C4D29E30 |
-259.09 |
9.29 |
-7.88 |
-0.77 |
0 |
|
|
392218 |
135013725 |
1 |
PO3H31C40 |
AB3C31D40 |
20.1 |
1.42 |
-8.27 |
-0.59 |
0 |
|
|
392219 |
135013751 |
1 |
NO2C15H15 |
AB2C15D15 |
-4.66 |
3.13 |
-9.04 |
0.2 |
0 |
|
|
392220 |
135013752 |
1 |
O5H18C20 |
A5B18C20 |
-139.03 |
6.61 |
-10.17 |
-1.04 |
0 |
|
|
392221 |
135013753 |
2 |
OC6H9 |
AB6C9 |
-75.07 |
3.88 |
-10.08 |
-0.34 |
0 |
|
|
392222 |
135013754 |
1 |
ON2C19H28 |
AB2C19D28 |
-25.12 |
1.13 |
-8.68 |
0.17 |
0 |
|
|
392223 |
135013755 |
1 |
NO3C8H13 |
AB3C8D13 |
-61.95 |
2.19 |
-10.34 |
-0.55 |
0 |
|
|
392224 |
135013758 |
1 |
OF5H9C17 |
AB5C9D17 |
-198.62 |
2.18 |
-9.15 |
-1.36 |
0 |
|
|
392225 |
135013771 |
2 |
N2O4C7H10 |
A2B4C7D10 |
-284.89 |
2.34 |
-10.2 |
-0.38 |
0 |
|
|
392226 |
135013797 |
1 |
NO3C18H21 |
AB3C18D21 |
-94.82 |
6.53 |
-9.45 |
-0.37 |
0 |
|
|
392227 |
135013803 |
1 |
SiO5C22H34 |
AB5C22D34 |
-245.96 |
8.17 |
-8.81 |
-0.55 |
0 |
|
|
392229 |
135013805 |
1 |
ON2C22H24 |
AB2C22D24 |
15.3 |
4.26 |
-8.3 |
0.27 |
0 |
|
|
392231 |
135013807 |
1 |
ON2C22H24 |
AB2C22D24 |
92.62 |
4.24 |
-8.43 |
0.15 |
0 |
|
|
392232 |
135013808 |
1 |
NO7C16H27 |
AB7C16D27 |
-350.06 |
2.95 |
-9.96 |
0.01 |
0 |
|
|
392233 |
135013809 |
1 |
O3C22H34 |
A3B22C34 |
-188.1 |
3.13 |
-9.88 |
0.76 |
0 |
|
|
392235 |
135013812 |
1 |
SiO4C22H40 |
AB4C22D40 |
-272.31 |
3.17 |
-8.71 |
0.45 |
0 |
|
|
392236 |
135013813 |
1 |
SiO4C22H40 |
AB4C22D40 |
-281.65 |
2.44 |
-8.75 |
0.34 |
0 |
|
|
392237 |
135013814 |
1 |
SiO4C22H40 |
AB4C22D40 |
-281.64 |
2.42 |
-8.76 |
0.34 |
0 |
|
|
392239 |
135013816 |
1 |
SiO5C22H40 |
AB5C22D40 |
-301.14 |
3.2 |
-8.97 |
0.41 |
0 |
|
|
392240 |
135013827 |
1 |
BSO2N3H44C52 |
ABC2D3E44F52 |
244.82 |
3.88 |
-7.31 |
-0.94 |
0 |
|
|
392242 |
135013829 |
1 |
BSO2N3H36C47 |
ABC2D3E36F47 |
236.65 |
6.12 |
-7.96 |
-1.6 |
0 |
|
|
392244 |
135013841 |
1 |
ON2C20H20 |
AB2C20D20 |
42.49 |
5.41 |
-9.1 |
-0.65 |
0 |
|
|
392245 |
135013846 |
1 |
ISiO3C25H39 |
ABC3D25E39 |
-141.49 |
3.91 |
-9.01 |
-1.36 |
0 |
|
|
392246 |
135013847 |
1 |
PO3C25H25 |
AB3C25D25 |
-55.96 |
2.2 |
-8.85 |
-0.06 |
0 |
|
|
392247 |
135013848 |
1 |
O3C22H30 |
A3B22C30 |
-94.96 |
1.44 |
-9.07 |
-0.01 |
0 |
|
|
392248 |
135013865 |
1 |
O2C5H10 |
A2B5C10 |
-23.2 |
2.03 |
-9.64 |
0.27 |
0 |
|
|
392249 |
135013869 |
1 |
NO3C14H23 |
AB3C14D23 |
-122.21 |
2.52 |
-9.22 |
0.31 |
0 |
|
|
392250 |
135013887 |
2 |
NH8C9 |
AB8C9 |
80.32 |
4.94 |
-8.69 |
-0.19 |
0 |
|
|
392251 |
135013910 |
1 |
NO4H17C18 |
AB4C17D18 |
-127.08 |
3.38 |
-9.74 |
-1.71 |
0 |
|
|
392252 |
135013914 |
1 |
N3O8C23H27 |
A3B8C23D27 |
-252.93 |
5.69 |
-9.73 |
-1.34 |
0 |
|
|
392253 |
135013919 |
1 |
NPO10C45H82 |
ABC10D45E82 |
-599.29 |
3.01 |
-8.98 |
0.01 |
0 |
|
|
392254 |
135013932 |
1 |
O3C22H24 |
A3B22C24 |
-112.58 |
1.67 |
-8.91 |
0.04 |
0 |
|
|
392255 |
135013935 |
1 |
SiO5C22H40 |
AB5C22D40 |
-302.12 |
5.0 |
-8.92 |
0.13 |
0 |
|
|
392256 |
135013936 |
1 |
SiO5C22H40 |
AB5C22D40 |
-300.25 |
3.24 |
-8.73 |
0.03 |
0 |
|
|
392257 |
135013937 |
1 |
SiO6C22H42 |
AB6C22D42 |
-382.37 |
5.67 |
-8.91 |
0.06 |
0 |
|
|
392259 |
135013943 |
1 |
NOC17H25 |
ABC17D25 |
-22.11 |
3.4 |
-8.59 |
0.45 |
0 |
|
|
392260 |
135013977 |
1 |
SiO4C25H32 |
AB4C25D32 |
-187.93 |
3.32 |
-8.91 |
-0.12 |
0 |
|
|
392261 |
135013978 |
1 |
SiS2O5C29H38 |
AB2C5D29E38 |
-252.83 |
5.53 |
-8.57 |
0.11 |
0 |
|
|
392262 |
135013984 |
1 |
O4N5C26H31 |
A4B5C26D31 |
-116.17 |
8.82 |
-8.95 |
-0.69 |
0 |
|
|
392263 |
135013985 |
1 |
NO3C13H15 |
AB3C13D15 |
-119.29 |
3.3 |
-9.72 |
-0.14 |
0 |
|
|
392264 |
135013991 |
1 |
O3C12H16 |
A3B12C16 |
-74.71 |
3.25 |
-8.47 |
-0.66 |
0 |
|
|
392265 |
135014005 |
2 |
NO3C11H13 |
AB3C11D13 |
-239.89 |
6.63 |
-9.28 |
-1.3 |
0 |
|
|
392266 |
135014038 |
1 |
OC14H20 |
AB14C20 |
-25.34 |
3.65 |
-9.43 |
-0.27 |
0 |
|
|
392267 |
135014041 |
1 |
BrNOC15H22 |
ABCD15E22 |
-54.58 |
6.35 |
-9.66 |
-0.26 |
0 |
|
|
392268 |
135014054 |
1 |
NO8C17H21 |
AB8C17D21 |
-328.16 |
3.3 |
-9.28 |
-0.88 |
0 |
|
|
392269 |
135014062 |
1 |
N3H17C20 |
A3B17C20 |
80.02 |
4.68 |
-8.83 |
-0.74 |
0 |
|
|
392270 |
135014067 |
1 |
O3C27H40 |
A3B27C40 |
-134.06 |
5.19 |
-8.85 |
-0.02 |
0 |
|
|
392272 |
135014074 |
1 |
SiO2C20H42 |
AB2C20D42 |
-200.64 |
3.82 |
-8.6 |
1.32 |
0 |
|
|
392273 |
135014080 |
1 |
OSN5C17H19 |
ABC5D17E19 |
77.33 |
10.81 |
-9.3 |
-1.02 |
0 |
|
|
392274 |
135014087 |
1 |
NSO7C28H33 |
ABC7D28E33 |
-174.65 |
6.01 |
-9.36 |
-0.1 |
1 |
|
|
392275 |
135014089 |
1 |
IO2C11H18 |
AB2C11D18 |
-86.24 |
3.69 |
0.0 |
0.0 |
1 |
|
|
392276 |
135014091 |
1 |
NC6H10 |
AB6C10 |
8.69 |
1.72 |
0.0 |
0.0 |
0 |
|
|
392277 |
135014092 |
1 |
NO3C20H25 |
AB3C20D25 |
-114.13 |
5.08 |
-8.7 |
-0.06 |
0 |
|
|
392278 |
135014104 |
1 |
O7C27H34 |
A7B27C34 |
-221.01 |
5.66 |
-9.38 |
-0.94 |
0 |
|
|
392279 |
135014105 |
2 |
O2C13H21 |
A2B13C21 |
-165.14 |
5.82 |
-9.29 |
-0.67 |
0 |
|
|
392280 |
135014106 |
1 |
SO2N5C23H27 |
AB2C5D23E27 |
38.01 |
2.72 |
-9.29 |
-1.03 |
0 |
|
|
392281 |
135014107 |
1 |
ClSN5C25H26 |
ABC5D25E26 |
131.43 |
7.21 |
-8.39 |
-1.12 |
0 |
|
|
392282 |
135014108 |
2 |
OC7H13 |
AB7C13 |
-143.96 |
2.12 |
-9.91 |
0.67 |
0 |
|
|
392283 |
135014112 |
1 |
NO11C20H27 |
AB11C20D27 |
-435.61 |
4.28 |
-10.2 |
-0.45 |
0 |
|
|
392284 |
135014115 |
1 |
BrOC13H17 |
ABC13D17 |
-18.04 |
3.17 |
-9.37 |
-0.29 |
0 |
|
|
392285 |
135014116 |
1 |
BrNSO2C14H14 |
ABCD2E14F14 |
-33.8 |
5.38 |
-9.23 |
-0.68 |
0 |
|
|
392286 |
135014168 |
1 |
NS2O4C12H13 |
AB2C4D12E13 |
-110.46 |
6.41 |
-9.27 |
-1.26 |
0 |
|
|
392287 |
135014175 |
1 |
NO2C27H27 |
AB2C27D27 |
26.22 |
2.82 |
-9.23 |
0.15 |
0 |
|
|
392288 |
135014177 |
1 |
NO3C26H27 |
AB3C26D27 |
-27.84 |
3.67 |
-9.19 |
0.11 |
0 |
|
|
392289 |
135014182 |
1 |
O4C19H20 |
A4B19C20 |
-108.3 |
2.59 |
-8.8 |
-0.84 |
0 |