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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
400176 |
135046223 |
1 |
ClPO6H28C29 |
ABC6D28E29 |
-34.57 |
10.36 |
-9.57 |
-2.6 |
0 |
|
|
400179 |
135046271 |
1 |
C11H19 |
A11B19 |
-9.09 |
0.83 |
0.0 |
0.0 |
0 |
|
|
400181 |
135046317 |
1 |
ClHgOC11H19 |
ABCD11E19 |
-66.78 |
5.14 |
-9.82 |
0.1 |
0 |
|
|
400183 |
135046347 |
1 |
ClHgO3C15H21 |
ABC3D15E21 |
-64.95 |
7.65 |
-9.25 |
-0.43 |
0 |
|
|
400185 |
135046356 |
1 |
ZrC23H42 |
AB23C42 |
174.57 |
5.32 |
-5.54 |
-1.47 |
0 |
|
|
400187 |
135046365 |
1 |
AlC16H33 |
AB16C33 |
-75.7 |
0.57 |
-8.85 |
1.5 |
0 |
|
|
400188 |
135046380 |
1 |
SO2C22H32 |
AB2C22D32 |
-76.95 |
6.22 |
-9.23 |
0.3 |
-4 |
|
|
400191 |
135046396 |
1 |
BrLiC10H10 |
ABC10D10 |
85.54 |
15.07 |
-7.12 |
-0.08 |
0 |
|
|
400192 |
135046400 |
1 |
OSnC20H34 |
ABC20D34 |
-14.11 |
2.15 |
-9.28 |
1.27 |
0 |
|
|
400197 |
135046454 |
1 |
O7C21H26 |
A7B21C26 |
-285.91 |
2.54 |
-9.67 |
-0.79 |
0 |
|
|
400198 |
135046468 |
1 |
SZrC20H30 |
ABC20D30 |
-4.0 |
3.74 |
-5.46 |
-3.21 |
0 |
|
|
400203 |
135046553 |
1 |
SiC19H24 |
AB19C24 |
12.16 |
0.9 |
-9.08 |
0.35 |
0 |
|
|
400204 |
135046565 |
1 |
OC14H28 |
AB14C28 |
-101.12 |
1.85 |
-9.2 |
1.43 |
0 |
|
|
400206 |
135046578 |
1 |
KC5H7 |
AB5C7 |
26.85 |
9.54 |
-5.75 |
0.11 |
0 |
|
|
400212 |
135046649 |
1 |
NOYSi2C23H46 |
ABCD2E23F46 |
-44.51 |
16.75 |
-5.2 |
-0.9 |
0 |
|
|
400213 |
135046652 |
1 |
BC19H35 |
AB19C35 |
-65.08 |
0.18 |
-8.98 |
0.6 |
-3 |
|
|
400225 |
135046702 |
1 |
ONa2C14H16 |
AB2C14D16 |
-40.48 |
10.33 |
-6.43 |
-0.08 |
0 |
|
|
400226 |
135046703 |
1 |
OSiLi2C23H36 |
ABC2D23E36 |
-121.79 |
11.0 |
-6.28 |
0.94 |
0 |
|
|
400227 |
135046704 |
1 |
OSiC23H38 |
ABC23D38 |
-81.73 |
2.0 |
-8.03 |
0.81 |
0 |
|
|
400231 |
135046763 |
1 |
O3C13H20 |
A3B13C20 |
-128.25 |
3.28 |
-9.45 |
0.33 |
0 |
|
|
400235 |
135046820 |
1 |
ZrCl2Si2N4C16H36 |
AB2C2D4E16F36 |
-232.03 |
3.38 |
-7.2 |
-0.96 |
0 |
|
|
400237 |
135046853 |
1 |
C9H16 |
A9B16 |
2.19 |
0.45 |
-9.31 |
1.32 |
-1 |
|
|
400241 |
135046872 |
1 |
CdN2Se4C10H20 |
AB2C4D10E20 |
111.86 |
12.17 |
-7.21 |
-1.8 |
0 |
|
|
400242 |
135046873 |
1 |
SiO7C20H38 |
AB7C20D38 |
-428.23 |
3.5 |
-9.91 |
0.57 |
0 |
|
|
400243 |
135046881 |
1 |
SiO7C15H30 |
AB7C15D30 |
-393.47 |
3.35 |
-9.01 |
0.13 |
0 |
|
|
400245 |
135046895 |
1 |
SiZrBr2C20H30 |
ABC2D20E30 |
-107.58 |
6.35 |
-6.56 |
-2.95 |
0 |
|
|
400246 |
135046897 |
1 |
CrSnO9C31H48 |
ABC9D31E48 |
-224.1 |
7.92 |
-7.03 |
0.14 |
1 |
|
|
400247 |
135046911 |
1 |
NWC9H10 |
ABC9D10 |
181.16 |
2.93 |
0.0 |
0.0 |
0 |
|
|
400249 |
135046961 |
1 |
NPO2C23H27 |
ABC2D23E27 |
7.51 |
2.84 |
0.0 |
0.0 |
0 |
|
|
400250 |
135046971 |
1 |
NPO2C27H35 |
ABC2D27E35 |
-20.81 |
2.55 |
0.0 |
0.0 |
0 |
|
|
400251 |
135046972 |
1 |
FePSiO3F6C14H17 |
ABCD3E6F14G17 |
-544.67 |
4.89 |
-8.69 |
-0.13 |
0 |
|
|
400252 |
135046988 |
1 |
CrNO3C16H17 |
ABC3D16E17 |
16.79 |
2.73 |
-7.13 |
0.19 |
0 |
|
|
400254 |
135046993 |
1 |
MoCl2N2O2C24H40 |
AB2C2D2E24F40 |
-194.73 |
9.65 |
-8.4 |
0.39 |
0 |
|
|
400255 |
135047011 |
1 |
CrC4Na4O4 |
AB4C4D4 |
-26.54 |
2.55 |
-4.62 |
-0.18 |
0 |
|
|
400256 |
135047023 |
1 |
SC13H21 |
AB13C21 |
14.48 |
2.02 |
0.0 |
0.0 |
2 |
|
|
400257 |
135047033 |
1 |
FeN2O4C19H36 |
AB2C4D19E36 |
190.91 |
23.51 |
-3.3 |
-0.95 |
0 |
|
|
400258 |
135047037 |
1 |
ClRuO3H5C6 |
ABC3D5E6 |
-45.77 |
3.37 |
-8.12 |
-2.38 |
0 |
|
|
400259 |
135047038 |
1 |
FeNI2C15H21 |
ABC2D15E21 |
130.75 |
12.92 |
-7.64 |
-0.42 |
0 |
|
|
400260 |
135047055 |
1 |
CrNO5C23H23 |
ABC5D23E23 |
15.66 |
1.53 |
-8.04 |
-0.43 |
1 |
|
|
400265 |
135047110 |
1 |
MoO2C12H12 |
AB2C12D12 |
65.2 |
5.8 |
-7.42 |
0.36 |
-3 |
|
|
400268 |
135047134 |
1 |
TiCl2H24C25 |
AB2C24D25 |
315.42 |
1.81 |
-7.26 |
-2.32 |
0 |
|
|
400269 |
135047140 |
1 |
ReO3H8C10 |
AB3C8D10 |
25.99 |
4.7 |
0.0 |
0.0 |
0 |
|
|
400270 |
135047158 |
1 |
NOC10H15 |
ABC10D15 |
14.63 |
2.67 |
-8.6 |
-0.46 |
0 |
|
|
400272 |
135047171 |
1 |
NC18H18 |
AB18C18 |
94.77 |
1.76 |
0.0 |
0.0 |
0 |
|
|
400273 |
135047188 |
1 |
NOC15H27 |
ABC15D27 |
-40.68 |
13.17 |
-6.76 |
0.09 |
0 |
|
|
400274 |
135047198 |
1 |
SSiC13H18 |
ABC13D18 |
-1.71 |
3.39 |
-8.03 |
0.11 |
0 |
|
|
400275 |
135047200 |
1 |
NSiC14H26 |
ABC14D26 |
-2.68 |
1.78 |
0.0 |
0.0 |
0 |
|
|
400276 |
135047203 |
1 |
FeBr2N2C30H34 |
AB2C2D30E34 |
169.02 |
13.54 |
-6.64 |
-1.81 |
0 |
|
|
400277 |
135047211 |
1 |
ReCl2C10H19 |
AB2C10D19 |
94.46 |
1.34 |
-8.36 |
-1.6 |
0 |
|
|
400278 |
135047219 |
1 |
CrO5H16C18 |
AB5C16D18 |
79.64 |
2.63 |
-6.44 |
-0.12 |
0 |
|
|
400280 |
135047234 |
1 |
CrOC12H12 |
ABC12D12 |
185.88 |
2.61 |
-7.09 |
0.28 |
0 |
|
|
400281 |
135047239 |
1 |
CrNCl2F3O5C8 |
ABC2D3E5F8 |
-191.47 |
4.68 |
-8.49 |
-0.92 |
0 |
|
|
400283 |
135047248 |
1 |
FeO3C16H20 |
AB3C16D20 |
-68.44 |
4.37 |
-8.67 |
-0.08 |
0 |
|
|
400284 |
135047254 |
1 |
BrO2H14C15 |
AB2C14D15 |
-20.15 |
1.34 |
0.0 |
0.0 |
0 |
|
|
400285 |
135047276 |
1 |
CrNSiO6C18H25 |
ABCD6E18F25 |
-0.27 |
5.93 |
-6.95 |
-0.12 |
0 |
|
|
400286 |
135047283 |
1 |
CrO5C13H14 |
AB5C13D14 |
-202.95 |
1.77 |
-7.82 |
0.17 |
-2 |
|
|
400289 |
135047286 |
1 |
CrO6H14C18 |
AB6C14D18 |
31.97 |
3.43 |
-7.4 |
0.02 |
0 |
|
|
400290 |
135047289 |
1 |
CrO6H10C16 |
AB6C10D16 |
-22.55 |
1.65 |
-7.55 |
-0.25 |
0 |
|
|
400292 |
135047355 |
1 |
ClCrSiO3C14H17 |
ABCD3E14F17 |
-12.58 |
3.25 |
-7.57 |
-0.18 |
0 |
|
|
400294 |
135047393 |
1 |
MoPO2H23C27 |
ABC2D23E27 |
108.28 |
5.62 |
-7.41 |
0.13 |
0 |
|
|
400295 |
135047394 |
1 |
CrSiO3C16H16 |
ABC3D16E16 |
80.81 |
2.61 |
-7.44 |
-0.17 |
0 |
|
|
400296 |
135047397 |
1 |
CrNSiO3C16H23 |
ABCD3E16F23 |
117.16 |
1.45 |
-5.95 |
0.5 |
0 |
|
|
400297 |
135047404 |
1 |
FeN2O4C28H28 |
AB2C4D28E28 |
25.22 |
1.24 |
-8.05 |
-0.99 |
-1 |
|
|
400298 |
135047405 |
1 |
FeO4C14H18 |
AB4C14D18 |
-118.9 |
2.91 |
-8.49 |
0.81 |
0 |
|
|
400299 |
135047413 |
1 |
OsS2F6N7O8C17H33 |
AB2C6D7E8F17G33 |
-621.16 |
15.73 |
-9.22 |
-3.63 |
0 |
|
|
400301 |
135047416 |
1 |
OsS2N5F6O8C16H33 |
AB2C5D6E8F16G33 |
-640.44 |
10.83 |
-8.47 |
-0.84 |
0 |
|
|
400302 |
135047437 |
2 |
NC4H5 |
AB4C5 |
65.37 |
3.63 |
-9.51 |
0.54 |
0 |
|
|
400303 |
135047439 |
1 |
OsC2S2F6O6N8H12 |
AB2C2D6E6F8G12 |
-378.09 |
7.9 |
-8.4 |
-2.23 |
0 |
|
|
400304 |
135047446 |
1 |
NC11H15 |
AB11C15 |
19.49 |
2.74 |
-8.07 |
0.98 |
0 |
|
|
400309 |
135047451 |
1 |
MnO2H7C9 |
AB2C7D9 |
125.12 |
1.91 |
-7.71 |
-1.44 |
0 |
|
|
400313 |
135047515 |
1 |
NO2C17H19 |
AB2C17D19 |
-35.07 |
1.95 |
-8.1 |
0.35 |
0 |
|
|
400314 |
135047518 |
1 |
O2C11H17 |
A2B11C17 |
-82.77 |
2.36 |
0.0 |
0.0 |
0 |
|
|
400315 |
135047521 |
1 |
OsS2F6N6O8C12H32 |
AB2C6D6E8F12G32 |
-713.56 |
7.7 |
-8.48 |
-0.79 |
0 |
|
|
400316 |
135047531 |
1 |
MnOC10H12 |
ABC10D12 |
45.27 |
2.3 |
0.0 |
0.0 |
-2 |
|
|
400318 |
135047559 |
1 |
NbCl4P4C12H32 |
AB4C4D12E32 |
-271.85 |
8.26 |
0.0 |
0.0 |
0 |
|
|
400319 |
135047563 |
1 |
FeO3C19H25 |
AB3C19D25 |
22.99 |
2.54 |
0.0 |
0.0 |
0 |
|
|
400323 |
135047583 |
1 |
MnO2H9C10 |
AB2C9D10 |
207.11 |
2.09 |
-5.95 |
-3.88 |
0 |
|
|
400324 |
135047590 |
2 |
MnPO4C13H21 |
ABC4D13E21 |
-143.26 |
3.86 |
-7.72 |
-2.56 |
0 |
|
|
400325 |
135047597 |
1 |
CrPO9C31H31 |
ABC9D31E31 |
-187.37 |
4.07 |
-6.9 |
-0.37 |
0 |
|
|
400326 |
135047599 |
1 |
CrSO9C25H26 |
ABC9D25E26 |
-160.4 |
2.97 |
-7.98 |
-0.34 |
0 |
|
|
400327 |
135047600 |
1 |
SO6C22H26 |
AB6C22D26 |
-193.06 |
2.89 |
-8.77 |
-0.45 |
0 |
|
|
400329 |
135047603 |
1 |
MoO2C13H18 |
AB2C13D18 |
29.37 |
3.82 |
-7.05 |
0.96 |
0 |
|
|
400330 |
135047604 |
1 |
CrNSiO6C20H21 |
ABCD6E20F21 |
-49.37 |
1.89 |
-6.96 |
-0.14 |
0 |
|
|
400331 |
135047607 |
1 |
MoO2C13H18 |
AB2C13D18 |
108.2 |
3.85 |
-5.89 |
0.7 |
2 |
|
|
400333 |
135047616 |
1 |
WN2O6C34H62 |
AB2C6D34E62 |
-11.44 |
7.4 |
-5.8 |
0.03 |
0 |
|
|
400337 |
135047620 |
1 |
VC21H33 |
AB21C33 |
-25.74 |
3.52 |
-8.41 |
-1.74 |
0 |
|
|
400339 |
135047625 |
2 |
LiC10H14 |
AB10C14 |
7.72 |
12.52 |
-5.86 |
1.42 |
-1 |
|
|
400340 |
135047627 |
1 |
FePO2C16H27 |
ABC2D16E27 |
-38.85 |
1.68 |
-7.31 |
1.06 |
-1 |
|
|
400341 |
135047628 |
1 |
FeOP2C39H46 |
ABC2D39E46 |
162.71 |
2.98 |
-7.84 |
-0.18 |
0 |
|
|
400342 |
135047629 |
1 |
RuO3C7H8 |
AB3C7D8 |
196.46 |
0.41 |
-6.9 |
-3.02 |
0 |
|
|
400343 |
135047632 |
1 |
PRuC26H27 |
ABC26D27 |
157.7 |
5.09 |
-8.04 |
-2.71 |
0 |
|
|
400344 |
135047633 |
1 |
MnO3C12H14 |
AB3C12D14 |
-43.74 |
3.55 |
0.0 |
0.0 |
0 |
|
|
400345 |
135047634 |
1 |
MnO3C12H12 |
AB3C12D12 |
-33.38 |
2.77 |
0.0 |
0.0 |
0 |
|
|
400346 |
135047635 |
1 |
MnO3H8C10 |
AB3C8D10 |
-14.32 |
2.78 |
0.0 |
0.0 |
0 |
|
|
400348 |
135047637 |
1 |
ClTcH5C7 |
ABC5D7 |
160.44 |
5.14 |
0.0 |
0.0 |
0 |
|
|
400349 |
135047638 |
1 |
CrO5C17H20 |
AB5C17D20 |
-34.22 |
2.44 |
-8.09 |
-0.54 |
0 |
|
|
400350 |
135047639 |
2 |
OC7H10 |
AB7C10 |
-73.17 |
0.9 |
-9.28 |
0.16 |
0 |
|
|
400353 |
135047653 |
1 |
O3C17H24 |
A3B17C24 |
-120.18 |
2.4 |
-8.63 |
0.01 |
0 |
|
|
400354 |
135047654 |
1 |
CrLi2C5O5 |
AB2C5D5 |
-32.14 |
3.8 |
-5.3 |
0.25 |
0 |
|
|
400355 |
135047655 |
2 |
NOC11H22 |
ABC11D22 |
-74.68 |
11.78 |
-5.39 |
0.8 |
0 |