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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
18323 |
539645 |
1 |
O2C11H18 |
A2B11C18 |
-100.28 |
5.21 |
-9.4 |
0.49 |
0 |
|
|
18324 |
539646 |
1 |
ClO4C11H11 |
AB4C11D11 |
-170.49 |
3.48 |
-9.73 |
-0.54 |
0 |
|
|
18325 |
539647 |
1 |
SN2O3H12C14 |
AB2C3D12E14 |
-48.64 |
6.07 |
-8.79 |
-0.87 |
0 |
|
|
18326 |
539650 |
1 |
O2C13H22 |
A2B13C22 |
-118.36 |
4.0 |
-8.59 |
1.39 |
0 |
|
|
18327 |
539652 |
2 |
O2C13H20 |
A2B13C20 |
-149.74 |
1.28 |
-10.04 |
0.39 |
0 |
|
|
18328 |
539653 |
1 |
O13C23H34 |
A13B23C34 |
-606.48 |
1.22 |
-10.11 |
0.48 |
0 |
|
|
18329 |
539657 |
1 |
O17C33H48 |
A17B33C48 |
-758.69 |
6.33 |
-9.45 |
0.31 |
0 |
|
|
18330 |
539658 |
2 |
O2C14H19 |
A2B14C19 |
-222.94 |
0.91 |
-8.88 |
0.52 |
0 |
|
|
18331 |
539659 |
1 |
O5C29H42 |
A5B29C42 |
-219.65 |
6.07 |
-8.78 |
-0.26 |
0 |
|
|
18332 |
539660 |
1 |
NO2C27H45 |
AB2C27D45 |
-157.16 |
1.36 |
-9.23 |
2.07 |
0 |
|
|
18333 |
539661 |
1 |
SO3C11H16 |
AB3C11D16 |
-126.05 |
6.88 |
-9.79 |
-0.6 |
0 |
|
|
18334 |
539662 |
1 |
OSN4C6H6 |
ABC4D6E6 |
31.93 |
2.27 |
-9.97 |
-1.46 |
0 |
|
|
18335 |
539663 |
1 |
ClNPSO2C8H19 |
ABCDE2F8G19 |
-208.07 |
2.27 |
-9.32 |
0.35 |
0 |
|
|
18336 |
539716 |
1 |
O10C17H26 |
A10B17C26 |
-470.21 |
1.4 |
-10.33 |
0.54 |
0 |
|
|
18337 |
539717 |
1 |
NSO4C14H15 |
ABC4D14E15 |
-137.3 |
8.52 |
-9.0 |
-1.26 |
0 |
|
|
18338 |
539720 |
2 |
ON2H6C9 |
AB2C6D9 |
68.64 |
5.5 |
-9.61 |
-1.89 |
0 |
|
|
18339 |
539721 |
1 |
NO12C20H31 |
AB12C20D31 |
-544.24 |
3.78 |
-9.87 |
-0.04 |
0 |
|
|
18340 |
539725 |
1 |
BrNO6H14C15 |
ABC6D14E15 |
-194.97 |
2.27 |
-9.26 |
-1.65 |
0 |
|
|
18341 |
539726 |
1 |
S2N3C10H17 |
A2B3C10D17 |
29.37 |
3.51 |
-8.55 |
-0.54 |
0 |
|
|
18342 |
539727 |
1 |
FSO5C9H11 |
ABC5D9E11 |
-242.69 |
2.17 |
-9.77 |
-1.26 |
0 |
|
|
18343 |
539728 |
1 |
NSO4C8H15 |
ABC4D8E15 |
-186.21 |
3.83 |
-9.19 |
0.12 |
0 |
|
|
18344 |
539739 |
1 |
N2O2H16C19 |
A2B2C16D19 |
23.18 |
4.37 |
-8.76 |
-0.39 |
0 |
|
|
18345 |
539770 |
1 |
BrO3C7H7 |
AB3C7D7 |
-103.7 |
7.36 |
-9.29 |
-0.66 |
0 |
|
|
18346 |
539775 |
1 |
O4C23H32 |
A4B23C32 |
-146.91 |
4.77 |
-9.69 |
-0.01 |
0 |
|
|
18347 |
539776 |
2 |
OSiC12H26 |
ABC12D26 |
-268.54 |
3.57 |
-9.3 |
0.79 |
0 |
|
|
18348 |
539788 |
1 |
O2C13H22 |
A2B13C22 |
-110.55 |
3.26 |
-9.74 |
2.7 |
0 |
|
|
18349 |
539798 |
1 |
O2C9H10 |
A2B9C10 |
-46.92 |
1.46 |
-9.05 |
-0.79 |
0 |
|
|
18350 |
539800 |
1 |
OCl2N5H13C15 |
AB2C5D13E15 |
21.62 |
2.8 |
-9.03 |
-0.93 |
0 |
|
|
18351 |
539801 |
1 |
NCl3O5H10C12 |
AB3C5D10E12 |
-134.31 |
3.45 |
-11.02 |
-1.99 |
0 |
|
|
18352 |
539804 |
1 |
SiO7C35H42 |
AB7C35D42 |
-305.78 |
2.93 |
-9.1 |
-0.27 |
0 |
|
|
18353 |
539805 |
1 |
ON5C10H15 |
AB5C10D15 |
-19.72 |
5.62 |
-9.0 |
-0.1 |
0 |
|
|
18354 |
539806 |
1 |
OC13H20 |
AB13C20 |
-63.43 |
5.25 |
-9.82 |
0.08 |
0 |
|
|
18355 |
539807 |
1 |
O12C27H38 |
A12B27C38 |
-543.96 |
3.98 |
-9.88 |
-0.17 |
0 |
|
|
18356 |
539808 |
1 |
NO6C12H15 |
AB6C12D15 |
-210.46 |
4.26 |
-9.33 |
-0.54 |
0 |
|
|
18357 |
539809 |
1 |
NSO9C16H23 |
ABC9D16E23 |
-416.53 |
2.67 |
-9.76 |
-0.37 |
0 |
|
|
18358 |
539810 |
1 |
OSN2C11H12 |
ABC2D11E12 |
-7.94 |
8.36 |
-8.92 |
-0.75 |
0 |
|
|
18359 |
539811 |
1 |
ClO2N4H9C11 |
AB2C4D9E11 |
46.85 |
2.29 |
-9.62 |
-1.66 |
0 |
|
|
18360 |
539813 |
2 |
OC5H7 |
AB5C7 |
-91.55 |
5.18 |
-9.73 |
0.81 |
0 |
|
|
18361 |
539817 |
1 |
OCl3C5H5 |
AB3C5D5 |
-51.51 |
2.9 |
-10.72 |
-1.28 |
0 |
|
|
18362 |
539819 |
1 |
SiO2C12H20 |
AB2C12D20 |
-128.92 |
2.09 |
-8.41 |
0.26 |
0 |
|
|
18363 |
539820 |
1 |
NO7C16H19 |
AB7C16D19 |
-295.38 |
2.87 |
-9.2 |
-0.38 |
0 |
|
|
18364 |
539822 |
1 |
O3C16H26 |
A3B16C26 |
-154.9 |
4.41 |
-9.34 |
0.72 |
0 |
|
|
18365 |
539823 |
1 |
O5C13H16 |
A5B13C16 |
-201.34 |
1.8 |
-8.83 |
-0.22 |
0 |
|
|
18366 |
539824 |
1 |
N2O3C12H16 |
A2B3C12D16 |
-54.48 |
9.72 |
-9.41 |
-1.22 |
0 |
|
|
18367 |
539849 |
1 |
O3C14H26 |
A3B14C26 |
-182.09 |
4.1 |
-10.09 |
0.71 |
0 |
|
|
18368 |
539961 |
1 |
OC14H20 |
AB14C20 |
-42.43 |
3.27 |
-8.78 |
0.44 |
0 |
|
|
18369 |
539973 |
1 |
O3C14H22 |
A3B14C22 |
-151.54 |
3.11 |
-9.38 |
0.73 |
0 |
|
|
18370 |
539975 |
1 |
N2S2O3C11H12 |
A2B2C3D11E12 |
-65.68 |
4.56 |
-9.03 |
-0.85 |
0 |
|
|
18371 |
539979 |
2 |
OC7H11 |
AB7C11 |
-96.59 |
2.34 |
-9.25 |
0.33 |
0 |
|
|
18372 |
540000 |
1 |
O3C16H26 |
A3B16C26 |
-101.18 |
3.27 |
-8.73 |
0.7 |
0 |
|
|
18373 |
540033 |
1 |
Cl3O3C13H17 |
A3B3C13D17 |
-176.97 |
3.7 |
-10.47 |
-0.67 |
0 |
|
|
18374 |
540036 |
1 |
N2O3C17H28 |
A2B3C17D28 |
-167.2 |
4.37 |
-9.37 |
-0.92 |
0 |
|
|
18375 |
540039 |
1 |
NOF5C12H12 |
ABC5D12E12 |
-225.11 |
4.17 |
-9.65 |
-1.19 |
0 |
|
|
18376 |
540040 |
1 |
NO9C18H23 |
AB9C18D23 |
-391.0 |
3.25 |
-9.23 |
0.17 |
0 |
|
|
18377 |
540041 |
1 |
O3C13H22 |
A3B13C22 |
-146.71 |
1.88 |
-10.1 |
0.66 |
0 |
|
|
18378 |
540042 |
1 |
ClO2N4H9C10 |
AB2C4D9E10 |
-16.65 |
3.93 |
-9.18 |
-1.32 |
0 |
|
|
18379 |
540043 |
1 |
NO2C17H17 |
AB2C17D17 |
-26.78 |
3.2 |
-8.7 |
-0.22 |
0 |
|
|
18380 |
540045 |
1 |
O13C29H38 |
A13B29C38 |
-567.38 |
6.25 |
-10.04 |
-0.36 |
0 |
|
|
18381 |
540047 |
1 |
SN3O8C14H17 |
AB3C8D14E17 |
-290.96 |
8.84 |
-9.4 |
-0.72 |
0 |
|
|
18382 |
540049 |
2 |
O5C8H11 |
A5B8C11 |
-429.73 |
4.35 |
-9.51 |
0.35 |
0 |
|
|
18383 |
540050 |
2 |
O5C13H14 |
A5B13C14 |
-398.71 |
3.19 |
-8.93 |
-0.12 |
0 |
|
|
18384 |
540070 |
1 |
SO12C20H24 |
AB12C20D24 |
-509.6 |
5.57 |
-10.43 |
-0.88 |
0 |
|
|
18385 |
540075 |
2 |
N2O15C30H35 |
A2B15C30D35 |
-1200.43 |
7.39 |
-8.7 |
-1.46 |
0 |
|
|
18386 |
540076 |
1 |
SO11C21H26 |
AB11C21D26 |
-465.19 |
5.38 |
-9.9 |
-0.6 |
0 |
|
|
18387 |
540123 |
1 |
NO8C18H29 |
AB8C18D29 |
-340.36 |
3.69 |
-9.3 |
0.29 |
0 |
|
|
18388 |
540141 |
1 |
N6C23H40 |
A6B23C40 |
-3.93 |
3.6 |
-8.83 |
-0.87 |
0 |
|
|
18389 |
540143 |
1 |
O3N4H10C11 |
A3B4C10D11 |
31.65 |
2.33 |
-10.51 |
-2.02 |
0 |
|
|
18390 |
540155 |
1 |
N3O3C13H17 |
A3B3C13D17 |
-69.51 |
2.1 |
-8.63 |
-0.64 |
0 |
|
|
18391 |
540169 |
2 |
ON2C6H8 |
AB2C6D8 |
-43.92 |
6.71 |
-9.6 |
-1.35 |
0 |
|
|
18392 |
540178 |
1 |
Cl2O3N5H13C16 |
A2B3C5D13E16 |
8.36 |
7.01 |
-9.36 |
-0.43 |
0 |
|
|
18393 |
540184 |
1 |
ClN3O3C16H16 |
AB3C3D16E16 |
-15.17 |
3.49 |
-9.62 |
-0.77 |
0 |
|
|
18394 |
540196 |
1 |
N2O7H10C12 |
A2B7C10D12 |
-100.31 |
6.48 |
-11.12 |
-2.2 |
0 |
|
|
18395 |
540208 |
6 |
O2C4H5 |
A2B4C5 |
-520.04 |
3.42 |
-9.21 |
0.11 |
0 |
|
|
18396 |
540209 |
1 |
N2F3O7H13C14 |
A2B3C7D13E14 |
-351.48 |
12.15 |
-10.05 |
-1.42 |
0 |
|
|
18397 |
540262 |
1 |
PO2C10H19 |
AB2C10D19 |
-110.14 |
1.67 |
-8.82 |
-0.23 |
0 |
|
|
18398 |
540272 |
2 |
OC6H6 |
AB6C6 |
-45.48 |
7.0 |
-8.64 |
-0.29 |
0 |
|
|
18399 |
540310 |
1 |
Cl2O2H6C7 |
A2B2C6D7 |
-79.13 |
6.63 |
-9.55 |
-0.59 |
0 |
|
|
18400 |
540356 |
1 |
NO4C19H21 |
AB4C19D21 |
-141.62 |
6.93 |
-8.7 |
-1.27 |
0 |
|
|
18401 |
540376 |
1 |
O8C27H38 |
A8B27C38 |
-393.43 |
4.98 |
-10.03 |
-0.42 |
0 |
|
|
18402 |
540390 |
1 |
SN3O3C6H7 |
AB3C3D6E7 |
-108.55 |
2.32 |
-9.06 |
-1.15 |
0 |
|
|
18403 |
540393 |
1 |
NO8C20H33 |
AB8C20D33 |
-353.06 |
4.37 |
-8.98 |
0.38 |
0 |
|
|
18404 |
540451 |
1 |
NO4H17C18 |
AB4C17D18 |
-114.93 |
10.98 |
-8.41 |
-1.48 |
0 |
|
|
18405 |
540452 |
1 |
NSO3C24H35 |
ABC3D24E35 |
-118.0 |
5.94 |
-8.39 |
-2.09 |
0 |
|
|
18406 |
540468 |
1 |
O2N5C15H15 |
A2B5C15D15 |
5.77 |
5.33 |
-9.06 |
-1.15 |
0 |
|
|
18407 |
540479 |
1 |
OC6F7H7 |
AB6C7D7 |
-422.19 |
4.61 |
-11.59 |
0.48 |
0 |
|
|
18408 |
540538 |
1 |
N2F3O3C15H19 |
A2B3C3D15E19 |
-281.3 |
7.58 |
-9.11 |
-0.17 |
0 |
|
|
18409 |
540556 |
1 |
O2N5C9H9 |
A2B5C9D9 |
10.95 |
8.07 |
-8.63 |
-0.77 |
0 |
|
|
18410 |
540603 |
1 |
NOF7C10H14 |
ABC7D10E14 |
-422.56 |
4.93 |
-10.67 |
-0.2 |
0 |
|
|
18411 |
540607 |
1 |
NOCl2C11H11 |
ABC2D11E11 |
-34.33 |
1.14 |
-9.21 |
-0.58 |
0 |
|
|
18412 |
540665 |
1 |
SN3O3H9C10 |
AB3C3D9E10 |
-12.77 |
7.52 |
-9.26 |
-1.59 |
0 |
|
|
18413 |
540666 |
2 |
O6C12H19 |
A6B12C19 |
-613.21 |
6.45 |
-10.75 |
0.48 |
0 |
|
|
18414 |
540669 |
1 |
ClN2C26H29 |
AB2C26D29 |
60.98 |
4.87 |
-8.6 |
0.0 |
0 |
|
|
18415 |
540670 |
1 |
NO8C13H13 |
AB8C13D13 |
-233.24 |
2.51 |
-10.42 |
-1.92 |
0 |
|
|
18416 |
540671 |
1 |
NO8C15H17 |
AB8C15D17 |
-250.86 |
4.93 |
-10.48 |
-1.62 |
0 |
|
|
18417 |
540672 |
1 |
SO8C23H26 |
AB8C23D26 |
-289.59 |
3.51 |
-8.33 |
-0.41 |
0 |
|
|
18418 |
540680 |
2 |
BO3C6H9 |
AB3C6D9 |
-365.81 |
0.08 |
-10.44 |
-1.74 |
0 |
|
|
18419 |
540688 |
1 |
Cl3O3H13C14 |
A3B3C13D14 |
-84.23 |
2.33 |
-10.1 |
-0.25 |
0 |
|
|
18420 |
540758 |
1 |
ClNOSH10C12 |
ABCDE10F12 |
3.54 |
5.18 |
-9.5 |
-1.57 |
0 |
|
|
18421 |
540766 |
1 |
O3C20H24 |
A3B20C24 |
-120.97 |
4.51 |
-9.07 |
-0.6 |
0 |
|
|
18422 |
540767 |
1 |
NO6C20H21 |
AB6C20D21 |
-205.85 |
3.99 |
-8.75 |
-0.25 |
0 |