List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
318831 |
126653517 |
1 |
ClN2H19C20 |
AB2C19D20 |
49.47 |
1.34 |
-7.94 |
-0.14 |
0 |
|
|
318832 |
126653520 |
2 |
N2C11H12 |
A2B11C12 |
103.28 |
2.05 |
-8.26 |
-0.81 |
0 |
|
|
318833 |
126653521 |
2 |
ON2C11H12 |
AB2C11D12 |
43.83 |
3.27 |
-8.28 |
-0.94 |
0 |
|
|
318834 |
126653522 |
1 |
O2N3C22H23 |
A2B3C22D23 |
21.92 |
2.16 |
-8.16 |
-0.93 |
0 |
|
|
318835 |
126653523 |
2 |
FNH9C10 |
ABC9D10 |
-32.32 |
1.81 |
-8.01 |
-0.21 |
0 |
|
|
318836 |
126653524 |
1 |
F2N3H17C20 |
A2B3C17D20 |
7.47 |
3.51 |
-8.36 |
-1.12 |
0 |
|
|
318837 |
126653525 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-103.1 |
5.79 |
-9.63 |
-1.07 |
0 |
|
|
318838 |
126653526 |
1 |
ON2C12H14 |
AB2C12D14 |
21.5 |
1.53 |
-8.32 |
0.33 |
0 |
|
|
318839 |
126653527 |
2 |
NO3C9H14 |
AB3C9D14 |
-266.89 |
4.12 |
-9.9 |
0.38 |
0 |
|
|
318841 |
126653529 |
1 |
N2O4C13H20 |
A2B4C13D20 |
-152.44 |
3.87 |
-9.52 |
0.43 |
0 |
|
|
318846 |
126653534 |
1 |
FC17H21 |
AB17C21 |
31.8 |
1.73 |
-8.8 |
0.12 |
0 |
|
|
318847 |
126653535 |
1 |
NPO2C21H34 |
ABC2D21E34 |
-92.16 |
6.45 |
-9.47 |
0.93 |
0 |
|
|
318850 |
126653538 |
2 |
SC4H9 |
AB4C9 |
-33.12 |
3.47 |
-8.89 |
0.29 |
0 |
|
|
318851 |
126653539 |
1 |
P2O8C49H50 |
A2B8C49D50 |
-318.27 |
3.12 |
-8.18 |
-0.24 |
0 |
|
|
318853 |
126653541 |
1 |
N2F3O3C18H19 |
A2B3C3D18E19 |
-250.67 |
5.47 |
-8.8 |
-0.54 |
0 |
|
|
318856 |
126653544 |
1 |
FN2O4H15C16 |
AB2C4D15E16 |
-149.83 |
4.69 |
-9.22 |
-1.12 |
0 |
|
|
318857 |
126653546 |
1 |
SO2C25H34 |
AB2C25D34 |
-65.49 |
4.71 |
-9.12 |
-0.58 |
0 |
|
|
318858 |
126653553 |
1 |
NOC12H15 |
ABC12D15 |
-10.4 |
2.58 |
-9.33 |
0.19 |
0 |
|
|
318859 |
126653560 |
1 |
OF3N4C18H21 |
AB3C4D18E21 |
-154.27 |
6.11 |
-8.84 |
-1.1 |
0 |
|
|
318860 |
126653577 |
2 |
NS2C21H30 |
AB2C21D30 |
-15.79 |
0.96 |
-8.35 |
-1.32 |
0 |
|
|
318862 |
126653581 |
1 |
O2N3S7C64H81 |
A2B3C7D64E81 |
-41.44 |
5.71 |
-8.19 |
-1.83 |
0 |
|
|
318866 |
126653589 |
1 |
NSBr2O3C17H23 |
ABC2D3E17F23 |
-98.34 |
1.52 |
-9.71 |
-1.55 |
0 |
|
|
318869 |
126653597 |
1 |
N2S2C15H18 |
A2B2C15D18 |
23.73 |
0.39 |
-8.49 |
-0.91 |
0 |
|
|
318871 |
126653602 |
2 |
NSH20C29 |
ABC20D29 |
259.94 |
0.65 |
-7.97 |
-1.01 |
0 |
|
|
318872 |
126653603 |
2 |
N2H23C35 |
A2B23C35 |
328.39 |
1.52 |
-7.47 |
-0.55 |
0 |
|
|
318873 |
126653604 |
2 |
OH15C23 |
AB15C23 |
132.05 |
0.11 |
-8.32 |
-1.1 |
0 |
|
|
318876 |
126653607 |
2 |
NH20C29 |
AB20C29 |
255.12 |
0.2 |
-7.64 |
-0.69 |
0 |
|
|
318877 |
126653608 |
2 |
SN2H15C22 |
AB2C15D22 |
238.54 |
2.21 |
-8.07 |
-1.25 |
0 |
|
|
318878 |
126653609 |
2 |
NOH20C29 |
ABC20D29 |
197.72 |
0.28 |
-8.04 |
-0.96 |
0 |
|
|
318879 |
126653611 |
2 |
NOH22C33 |
ABC22D33 |
232.08 |
0.75 |
-7.89 |
-0.9 |
0 |
|
|
318882 |
126653614 |
2 |
NSH22C33 |
ABC22D33 |
294.68 |
1.09 |
-8.07 |
-0.88 |
0 |
|
|
318883 |
126653616 |
2 |
ON2H23C35 |
AB2C23D35 |
268.39 |
1.87 |
-7.7 |
-0.85 |
0 |
|
|
318884 |
126653617 |
2 |
NO2H22C35 |
AB2C22D35 |
193.07 |
1.69 |
-8.03 |
-1.04 |
0 |
|
|
318885 |
126653618 |
2 |
ON2H15C22 |
AB2C15D22 |
177.39 |
1.55 |
-8.05 |
-1.14 |
0 |
|
|
318886 |
126653620 |
2 |
NSH16C23 |
ABC16D23 |
212.52 |
0.57 |
-8.03 |
-0.93 |
0 |
|
|
318888 |
126653623 |
2 |
OH12C14 |
AB12C14 |
70.2 |
1.27 |
-8.3 |
-0.77 |
0 |
|
|
318889 |
126653626 |
1 |
N2C19H26 |
A2B19C26 |
44.34 |
0.13 |
-8.05 |
0.04 |
0 |
|
|
318890 |
126653627 |
1 |
N3O4C14H19 |
A3B4C14D19 |
-156.91 |
10.91 |
-9.02 |
-1.04 |
0 |
|
|
318891 |
126653628 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-119.41 |
10.57 |
-9.03 |
-1.1 |
0 |
|
|
318892 |
126653633 |
4 |
NOC11H17 |
ABC11D17 |
-240.3 |
2.61 |
-7.89 |
0.28 |
0 |
|
|
318893 |
126653635 |
2 |
NOC17H17 |
ABC17D17 |
14.3 |
1.54 |
-8.06 |
-0.4 |
0 |
|
|
318894 |
126653636 |
4 |
NOC9H13 |
ABC9D13 |
-208.3 |
2.65 |
-7.88 |
0.19 |
0 |
|
|
318895 |
126653638 |
1 |
N7O14C58H99 |
A7B14C58D99 |
-708.93 |
4.46 |
-9.05 |
0.16 |
0 |
|
|
318896 |
126653641 |
1 |
SN3O12C33H57 |
AB3C12D33E57 |
-598.1 |
8.49 |
-9.24 |
-0.44 |
0 |
|
|
318898 |
126653650 |
1 |
SF3O3N4C20H21 |
AB3C3D4E20F21 |
-188.72 |
7.11 |
-8.68 |
-1.64 |
0 |
|
|
318900 |
126653671 |
1 |
ClSO2F3N4C20H20 |
ABC2D3E4F20G20 |
-170.88 |
5.27 |
-9.24 |
-1.69 |
0 |
|
|
318903 |
126653679 |
1 |
ON2C10H10 |
AB2C10D10 |
17.34 |
2.41 |
-9.11 |
-0.42 |
0 |
|
|
318905 |
126653694 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-16.94 |
5.07 |
-8.68 |
-0.32 |
0 |
|
|
318906 |
126653697 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-15.69 |
2.9 |
-8.94 |
-0.36 |
0 |
|
|
318907 |
126653698 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-19.33 |
5.79 |
-8.65 |
-0.38 |
0 |
|
|
318909 |
126653703 |
1 |
SN2C11H14 |
AB2C11D14 |
28.05 |
2.89 |
-8.35 |
-0.41 |
0 |
|
|
318910 |
126653704 |
1 |
ON2C11H14 |
AB2C11D14 |
-10.48 |
3.29 |
-8.56 |
-0.23 |
0 |
|
|
318911 |
126653705 |
1 |
N2F3O3C20H29 |
A2B3C3D20E29 |
-218.34 |
8.56 |
-8.85 |
-0.64 |
0 |
|
|
318914 |
126653710 |
1 |
IN3O3H12C14 |
AB3C3D12E14 |
-20.34 |
5.91 |
-9.06 |
-1.6 |
0 |
|
|
318917 |
126653718 |
1 |
BrNSO2H12C16 |
ABCD2E12F16 |
0.92 |
7.06 |
-9.06 |
-1.01 |
0 |
|
|
318918 |
126653722 |
1 |
SO3C18H22 |
AB3C18D22 |
-101.62 |
2.74 |
-8.5 |
-0.56 |
0 |
|
|
318919 |
126653736 |
1 |
N4O5C24H26 |
A4B5C24D26 |
-78.71 |
9.42 |
-9.23 |
-1.29 |
0 |
|
|
318921 |
126653739 |
1 |
O5N6C27H32 |
A5B6C27D32 |
-74.22 |
4.98 |
-8.85 |
-1.06 |
0 |
|
|
318923 |
126653745 |
1 |
O2C9H18 |
A2B9C18 |
-103.75 |
1.69 |
-9.29 |
1.32 |
0 |
|
|
318924 |
126653747 |
1 |
NF2C8H11 |
AB2C8D11 |
-80.04 |
1.8 |
-9.44 |
0.36 |
0 |
|
|
318925 |
126653748 |
1 |
SN3O3C29H43 |
AB3C3D29E43 |
-120.77 |
4.22 |
-8.81 |
-0.46 |
0 |
|
|
318927 |
126653756 |
1 |
SO2N5C32H43 |
AB2C5D32E43 |
-26.76 |
4.34 |
-8.86 |
-0.26 |
0 |
|
|
318928 |
126653757 |
1 |
SO2N4C23H32 |
AB2C4D23E32 |
-85.29 |
4.44 |
-8.18 |
-0.23 |
0 |
|
|
318929 |
126653759 |
1 |
SN3O3C30H43 |
AB3C3D30E43 |
-138.94 |
4.5 |
-8.65 |
-0.24 |
0 |
|
|
318930 |
126653761 |
1 |
FO3N5C22H24 |
AB3C5D22E24 |
-89.25 |
3.25 |
-8.64 |
-0.64 |
0 |
|
|
318931 |
126653762 |
1 |
NO4C11H17 |
AB4C11D17 |
-178.06 |
7.1 |
-10.2 |
0.18 |
0 |
|
|
318933 |
126653765 |
1 |
O3N5C21H21 |
A3B5C21D21 |
-14.56 |
8.71 |
-8.86 |
-1.08 |
0 |
|
|
318934 |
126653766 |
1 |
BrN3O4C15H18 |
AB3C4D15E18 |
-155.21 |
5.51 |
-9.47 |
-0.67 |
0 |
|
|
318935 |
126653771 |
1 |
BrClF2N2O3C17H20 |
ABC2D2E3F17G20 |
-234.91 |
1.21 |
-10.03 |
-1.04 |
0 |
|
|
318936 |
126653772 |
1 |
ClF2N2O3C19H23 |
AB2C2D3E19F23 |
-228.58 |
3.91 |
-9.78 |
-0.73 |
0 |
|
|
318937 |
126653778 |
1 |
BrFO3N6H24C27 |
ABC3D6E24F27 |
-50.09 |
6.41 |
-8.98 |
-1.12 |
0 |
|
|
318938 |
126653779 |
1 |
BrFN2O3C16H22 |
ABC2D3E16F22 |
-197.63 |
2.72 |
-9.82 |
-0.51 |
0 |
|
|
318939 |
126653781 |
1 |
SO3N4C20H20 |
AB3C4D20E20 |
-17.85 |
3.03 |
-8.46 |
-0.72 |
0 |
|
|
318940 |
126653783 |
1 |
SN3O3H17C18 |
AB3C3D17E18 |
-45.75 |
2.64 |
-8.86 |
-1.26 |
0 |
|
|
318941 |
126653787 |
1 |
FSN2O3C12H15 |
ABC2D3E12F15 |
-137.24 |
6.01 |
-9.78 |
-0.66 |
0 |