List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
310757 |
126587267 |
1 |
ClNOH16C17 |
ABCD16E17 |
-25.27 |
2.11 |
-8.92 |
-0.41 |
0 |
|
|
310758 |
126587269 |
1 |
ClNOH16C17 |
ABCD16E17 |
-23.34 |
2.12 |
-8.91 |
-0.42 |
0 |
|
|
310759 |
126587271 |
1 |
SN3O6C28H49 |
AB3C6D28E49 |
-315.77 |
1.79 |
-8.8 |
-0.12 |
0 |
|
|
310760 |
126587273 |
1 |
O3N4C28H56 |
A3B4C28D56 |
-236.98 |
5.34 |
-8.59 |
0.57 |
0 |
|
|
310761 |
126587274 |
1 |
SN3O3H19C20 |
AB3C3D19E20 |
-54.25 |
2.72 |
-8.72 |
-0.79 |
0 |
|
|
310762 |
126587277 |
1 |
BrClNO2C10H13 |
ABCD2E10F13 |
-80.82 |
4.14 |
-8.4 |
-0.13 |
0 |
|
|
310763 |
126587278 |
1 |
BrNO2C16H20 |
ABC2D16E20 |
-90.16 |
2.73 |
-8.68 |
-0.48 |
0 |
|
|
310764 |
126587280 |
1 |
BrN2O3H11C13 |
AB2C3D11E13 |
-59.9 |
2.8 |
-8.86 |
-0.66 |
0 |
|
|
310767 |
126587298 |
1 |
SF3O4H7C12 |
AB3C4D7E12 |
-270.01 |
2.42 |
-10.18 |
-2.01 |
0 |
|
|
310768 |
126587302 |
3 |
O2H6C7 |
A2B6C7 |
-142.7 |
12.0 |
-9.03 |
-1.0 |
0 |
|
|
310769 |
126587312 |
1 |
O7C23H28 |
A7B23C28 |
-208.69 |
3.01 |
-8.64 |
-0.67 |
0 |
|
|
310770 |
126587349 |
2 |
O2N3C15H16 |
A2B3C15D16 |
-46.54 |
7.87 |
-8.15 |
-0.51 |
0 |
|
|
310771 |
126587357 |
1 |
NOC22H39 |
ABC22D39 |
-76.1 |
3.45 |
-9.22 |
1.14 |
0 |
|
|
310772 |
126587384 |
1 |
O3N4C20H22 |
A3B4C20D22 |
-47.38 |
6.7 |
-9.21 |
-0.54 |
0 |
|
|
310773 |
126587386 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-139.72 |
1.81 |
-8.67 |
0.12 |
0 |
|
|
310774 |
126587387 |
1 |
O4C27H36 |
A4B27C36 |
-145.07 |
1.84 |
-9.47 |
-0.4 |
0 |
|
|
310775 |
126587403 |
1 |
SF4O5N7H17C22 |
AB4C5D7E17F22 |
-257.59 |
12.3 |
-9.23 |
-1.52 |
0 |
|
|
310776 |
126587419 |
1 |
IC8H13 |
AB8C13 |
-4.47 |
2.31 |
-9.21 |
-0.76 |
0 |
|
|
310777 |
126587421 |
1 |
NSO3C21H27 |
ABC3D21E27 |
-60.19 |
5.75 |
-8.54 |
-0.43 |
0 |
|
|
310778 |
126587426 |
1 |
N7O10H53C54 |
A7B10C53D54 |
-132.11 |
5.96 |
-8.54 |
-1.17 |
0 |
|
|
310779 |
126587429 |
1 |
O2N3C24H25 |
A2B3C24D25 |
-31.53 |
2.58 |
-8.54 |
-0.36 |
0 |
|
|
310780 |
126587434 |
1 |
INOC7H8 |
ABCD7E8 |
4.36 |
2.13 |
-9.71 |
-2.63 |
0 |
|
|
310781 |
126587436 |
2 |
ON2C11H11 |
AB2C11D11 |
-20.85 |
2.23 |
-8.6 |
-0.47 |
0 |
|
|
310782 |
126587496 |
1 |
N3O3C23H23 |
A3B3C23D23 |
-71.68 |
2.07 |
-8.56 |
-0.41 |
0 |
|
|
310783 |
126587511 |
1 |
BrON2C9H9 |
ABC2D9E9 |
-26.39 |
2.08 |
-8.68 |
-0.5 |
0 |
|
|
310784 |
126587512 |
1 |
N3O4C17H19 |
A3B4C17D19 |
-52.03 |
7.64 |
-8.68 |
-0.84 |
0 |
|
|
310785 |
126587513 |
1 |
O2N3C23H29 |
A2B3C23D29 |
-81.8 |
1.98 |
-8.67 |
-0.28 |
0 |
|
|
310786 |
126587518 |
1 |
BrClNOH7C9 |
ABCDE7F9 |
-36.56 |
3.84 |
-9.24 |
-0.73 |
0 |
|
|
310787 |
126587520 |
1 |
ClNO2C14H16 |
ABC2D14E16 |
-79.75 |
1.99 |
-8.89 |
-0.35 |
0 |
|
|
310788 |
126587522 |
1 |
NOC9H15 |
ABC9D15 |
-64.8 |
4.3 |
-8.62 |
0.6 |
0 |
|
|
310789 |
126587523 |
1 |
IO2N3H12C14 |
AB2C3D12E14 |
-0.03 |
2.86 |
-8.89 |
-1.14 |
0 |
|
|
310790 |
126587524 |
1 |
O3N4H20C21 |
A3B4C20D21 |
-46.65 |
2.48 |
-8.73 |
-0.93 |
0 |
|
|
310791 |
126587534 |
1 |
N5O9C35H37 |
A5B9C35D37 |
-319.36 |
3.63 |
-9.09 |
-0.84 |
0 |
|
|
310792 |
126587546 |
1 |
O2C7H14 |
A2B7C14 |
-103.4 |
0.93 |
-9.47 |
1.87 |
0 |
|
|
310793 |
126587548 |
1 |
NSO3C5H7 |
ABC3D5E7 |
-119.41 |
2.1 |
-9.46 |
-1.1 |
0 |
|
|
310794 |
126587549 |
1 |
NOC11H21 |
ABC11D21 |
-53.22 |
0.68 |
-8.15 |
1.16 |
0 |
|
|
310795 |
126587550 |
1 |
NO2C8H13 |
AB2C8D13 |
-68.1 |
1.67 |
-9.43 |
-0.02 |
0 |
|
|
310796 |
126587552 |
1 |
OC38H58 |
AB38C58 |
-57.2 |
1.97 |
-8.75 |
0.29 |
0 |
|
|
310797 |
126587558 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-117.67 |
2.45 |
-8.69 |
-0.28 |
0 |
|
|
310798 |
126587568 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-120.02 |
1.23 |
-8.78 |
-0.41 |
0 |
|
|
310799 |
126587576 |
1 |
ON3C22H23 |
AB3C22D23 |
15.11 |
4.89 |
-8.15 |
-0.11 |
0 |
|
|
310800 |
126587578 |
1 |
NO2C10H17 |
AB2C10D17 |
-68.8 |
2.8 |
-8.89 |
0.69 |
0 |
|
|
310801 |
126587582 |
1 |
ClON2H13C15 |
ABC2D13E15 |
-13.64 |
3.16 |
-8.92 |
-0.44 |
0 |
|
|
310802 |
126587587 |
1 |
BrN2O2H15C16 |
AB2C2D15E16 |
-38.86 |
1.87 |
-8.76 |
-0.55 |
0 |
|
|
310803 |
126587588 |
1 |
BrN2O2C17H17 |
AB2C2D17E17 |
-42.74 |
1.8 |
-8.75 |
-0.54 |
0 |
|
|
310804 |
126587589 |
1 |
ClNOC13H14 |
ABCD13E14 |
-40.45 |
4.07 |
-8.91 |
-0.35 |
0 |
|
|
310805 |
126587616 |
1 |
NSO3C19H23 |
ABC3D19E23 |
-76.27 |
3.2 |
-8.44 |
-0.5 |
0 |
|
|
310806 |
126587618 |
1 |
NSO2C19H23 |
ABC2D19E23 |
-50.16 |
2.42 |
-8.73 |
-0.28 |
0 |
|
|
310807 |
126587620 |
1 |
NSF2O2C19H21 |
ABC2D2E19F21 |
-145.66 |
1.99 |
-8.53 |
-0.61 |
0 |
|
|
310808 |
126587622 |
1 |
BrNO2C19H22 |
ABC2D19E22 |
-64.14 |
4.11 |
-8.44 |
-0.36 |
0 |