List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
78652 |
49703425 |
1 |
SN4O6H18C20 |
AB4C6D18E20 |
-135.02 |
8.32 |
-9.32 |
-1.38 |
0 |
|
|
78653 |
49703427 |
2 |
N2O2H11C12 |
A2B2C11D12 |
-51.91 |
3.18 |
-8.43 |
-0.96 |
0 |
|
|
78654 |
49703430 |
1 |
N3O5C18H19 |
A3B5C18D19 |
-123.3 |
3.43 |
-8.95 |
-1.2 |
0 |
|
|
78655 |
49703431 |
1 |
N4O6H22C23 |
A4B6C22D23 |
-121.91 |
3.73 |
-8.9 |
-1.1 |
0 |
|
|
78656 |
49703433 |
4 |
NOC6H6 |
ABC6D6 |
-54.03 |
3.13 |
-8.24 |
-1.01 |
0 |
|
|
78657 |
49703503 |
1 |
N3O4H21C22 |
A3B4C21D22 |
-72.29 |
6.92 |
-8.98 |
-1.04 |
0 |
|
|
78658 |
49703504 |
1 |
ClN3O4H18C21 |
AB3C4D18E21 |
-75.17 |
8.81 |
-8.98 |
-1.31 |
0 |
|
|
78659 |
49703505 |
1 |
N3O5H21C22 |
A3B5C21D22 |
-104.17 |
8.01 |
-8.32 |
-1.13 |
0 |
|
|
78660 |
49703507 |
1 |
N3O4H21C22 |
A3B4C21D22 |
-73.99 |
4.18 |
-8.89 |
-1.16 |
0 |
|
|
78661 |
49703514 |
1 |
ClN3O4H16C20 |
AB3C4D16E20 |
-68.27 |
4.1 |
-8.9 |
-1.22 |
0 |
|
|
78662 |
49703591 |
1 |
N4O5H18C21 |
A4B5C18D21 |
-103.96 |
5.65 |
-8.82 |
-0.95 |
0 |
|
|
78663 |
49703623 |
1 |
FO2N4H17C19 |
AB2C4D17E19 |
-37.0 |
3.86 |
-9.38 |
-1.13 |
0 |
|
|
78664 |
49703654 |
1 |
F2O2N3H15C19 |
A2B2C3D15E19 |
-86.83 |
3.85 |
-9.05 |
-1.24 |
0 |
|
|
78665 |
49703655 |
1 |
F2O2N3H15C19 |
A2B2C3D15E19 |
-87.86 |
4.61 |
-9.06 |
-1.31 |
0 |
|
|
78666 |
49703656 |
1 |
O2F3N3H14C19 |
A2B3C3D14E19 |
-132.34 |
5.06 |
-9.11 |
-1.31 |
0 |
|
|
78667 |
49703673 |
1 |
FSO2N4H15C20 |
ABC2D4E15F20 |
-10.42 |
3.99 |
-9.0 |
-1.35 |
0 |
|
|
78668 |
49703675 |
1 |
ClFO2N3H17C20 |
ABC2D3E17F20 |
-61.23 |
5.87 |
-8.86 |
-1.34 |
0 |
|
|
78669 |
49703686 |
1 |
O2N3F5H14C20 |
A2B3C5D14E20 |
-246.76 |
8.85 |
-9.45 |
-1.53 |
0 |
|
|
78670 |
49703688 |
1 |
FO2N3H20C21 |
AB2C3D20E21 |
-54.44 |
3.39 |
-8.71 |
-1.21 |
0 |
|
|
78671 |
49703689 |
1 |
ClO2N3F4H14C20 |
AB2C3D4E14F20 |
-211.98 |
7.1 |
-9.46 |
-1.36 |
0 |
|
|
78672 |
49703690 |
1 |
FO2N3H20C21 |
AB2C3D20E21 |
-54.9 |
4.05 |
-8.75 |
-1.25 |
0 |
|
|
78673 |
49703692 |
1 |
FO2N3C22H22 |
AB2C3D22E22 |
-66.69 |
5.06 |
-8.78 |
-1.16 |
0 |
|
|
78674 |
49703694 |
1 |
FO2N3H18C23 |
AB2C3D18E23 |
-22.58 |
4.09 |
-8.64 |
-1.28 |
0 |
|
|
78675 |
49703696 |
1 |
FO2N3H18C20 |
AB2C3D18E20 |
-50.63 |
4.18 |
-8.66 |
-1.25 |
0 |
|
|
78676 |
49703700 |
1 |
FO2N3H20C21 |
AB2C3D20E21 |
-49.91 |
3.8 |
-9.4 |
-1.12 |
0 |
|
|
78677 |
49703701 |
1 |
FO2N3H20C21 |
AB2C3D20E21 |
-58.79 |
4.83 |
-8.72 |
-1.25 |
0 |
|
|
78678 |
49703703 |
1 |
FN3O3C22H22 |
AB3C3D22E22 |
-89.71 |
2.62 |
-8.72 |
-1.19 |
0 |
|
|
78679 |
49703704 |
1 |
FN3O3H20C21 |
AB3C3D20E21 |
-89.51 |
4.87 |
-8.54 |
-1.17 |
0 |
|
|
78680 |
49703734 |
1 |
FO2N4C24H27 |
AB2C4D24E27 |
-63.2 |
5.04 |
-7.82 |
-1.13 |
0 |
|
|
78681 |
49703735 |
1 |
FN4O4H17C20 |
AB4C4D17E20 |
-54.17 |
3.42 |
-9.51 |
-1.58 |
0 |
|
|
78682 |
49703736 |
1 |
FO2N3H20C21 |
AB2C3D20E21 |
-42.86 |
2.47 |
-9.26 |
-1.01 |
0 |
|
|
78683 |
49703738 |
1 |
FO2N3C21H26 |
AB2C3D21E26 |
-90.21 |
3.97 |
-9.16 |
-0.78 |
0 |
|
|
78684 |
49703739 |
1 |
ClF2O2N4H21C23 |
AB2C2D4E21F23 |
-91.45 |
3.77 |
-8.51 |
-1.17 |
0 |
|
|
78685 |
49703741 |
1 |
N3O3F4H17C21 |
A3B3C4D17E21 |
-244.63 |
8.33 |
-8.9 |
-1.26 |
0 |
|
|
78686 |
49703747 |
1 |
FN3O4C22H22 |
AB3C4D22E22 |
-120.9 |
4.59 |
-8.3 |
-1.24 |
0 |
|
|
78687 |
49703748 |
1 |
FN3O3C22H22 |
AB3C3D22E22 |
-93.73 |
4.2 |
-8.83 |
-1.11 |
0 |
|
|
78688 |
49703750 |
1 |
N3O3F4H19C22 |
A3B3C4D19E22 |
-243.52 |
3.58 |
-9.46 |
-1.3 |
0 |
|
|
78689 |
49703751 |
1 |
FN3O4C23H24 |
AB3C4D23E24 |
-128.71 |
1.1 |
-8.27 |
-1.13 |
0 |
|
|
78690 |
49703753 |
1 |
FO3N6C24H27 |
AB3C6D24E27 |
-82.19 |
6.25 |
-9.06 |
-1.16 |
0 |
|
|
78691 |
49703754 |
1 |
FO3N6C25H29 |
AB3C6D25E29 |
-88.22 |
1.52 |
-8.9 |
-1.14 |
0 |
|
|
78692 |
49703755 |
1 |
FO3N6C23H25 |
AB3C6D23E25 |
-77.45 |
6.02 |
-8.87 |
-1.09 |
0 |
|
|
78693 |
49703758 |
1 |
FO3N4H17C20 |
AB3C4D17E20 |
-86.33 |
4.46 |
-9.23 |
-0.97 |
0 |
|
|
78694 |
49703759 |
1 |
FO3N4H19C21 |
AB3C4D19E21 |
-94.66 |
8.53 |
-8.73 |
-1.27 |
0 |
|
|
78695 |
49703760 |
1 |
FO3N4H19C21 |
AB3C4D19E21 |
-92.56 |
8.2 |
-8.38 |
-1.21 |
0 |
|
|
78696 |
49703762 |
1 |
FSN4O5H19C21 |
ABC4D5E19F21 |
-174.32 |
7.02 |
-9.54 |
-1.43 |
0 |
|
|
78697 |
49703763 |
1 |
FO4N5C24H24 |
AB4C5D24E24 |
-138.82 |
7.78 |
-9.24 |
-1.23 |
0 |
|
|
78698 |
49703764 |
1 |
FO4N5C26H26 |
AB4C5D26E26 |
-116.48 |
6.45 |
-9.17 |
-1.23 |
0 |
|
|
78699 |
49703766 |
2 |
N2O2C11H11 |
A2B2C11D11 |
-83.91 |
4.72 |
-8.91 |
-1.17 |
0 |
|
|
78700 |
49703768 |
1 |
SN4O5C23H26 |
AB4C5D23E26 |
-126.62 |
9.01 |
-9.09 |
-1.03 |
0 |
|
|
78701 |
49703770 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-71.3 |
7.46 |
-8.81 |
-0.87 |
0 |
|
|
78702 |
49703771 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-120.56 |
3.56 |
-8.77 |
-0.85 |
0 |
|
|
78703 |
49703772 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-107.58 |
4.79 |
-8.75 |
-0.92 |
0 |
|
|
78704 |
49703781 |
1 |
N3O5C23H23 |
A3B5C23D23 |
-109.31 |
4.3 |
-8.74 |
-0.97 |
0 |
|
|
78705 |
49703792 |
1 |
O3N4C20H20 |
A3B4C20D20 |
-34.35 |
8.59 |
-8.97 |
-1.2 |
0 |
|
|
78706 |
49703795 |
1 |
SO3N4C18H18 |
AB3C4D18E18 |
-30.74 |
7.27 |
-8.9 |
-1.17 |
0 |
|
|
78707 |
49703849 |
1 |
N3O4C23H25 |
A3B4C23D25 |
-86.77 |
9.68 |
-8.43 |
-0.87 |
0 |
|
|
78708 |
49703881 |
1 |
BrN3O3C22H22 |
AB3C3D22E22 |
-50.39 |
9.72 |
-8.78 |
-1.15 |
0 |
|
|
78709 |
49703882 |
1 |
N3O4C24H27 |
A3B4C24D27 |
-90.47 |
3.84 |
-8.68 |
-0.91 |
0 |
|
|
78710 |
49703883 |
1 |
FN4O5H19C21 |
AB4C5D19E21 |
-90.36 |
10.99 |
-9.08 |
-1.38 |
0 |
|
|
78711 |
49703887 |
1 |
BrFN3O3H19C21 |
ABC3D3E19F21 |
-83.47 |
4.94 |
-8.93 |
-1.12 |
0 |
|
|
78712 |
49703888 |
1 |
N3O5C23H25 |
A3B5C23D25 |
-125.81 |
6.6 |
-8.84 |
-1.07 |
0 |
|
|
78713 |
49703890 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-51.82 |
8.4 |
-8.52 |
-0.99 |
0 |
|
|
78714 |
49703891 |
1 |
BrN3O3H20C21 |
AB3C3D20E21 |
-40.41 |
10.14 |
-9.07 |
-1.13 |
0 |
|
|
78715 |
49703892 |
1 |
Cl2N3O3H19C21 |
A2B3C3D19E21 |
-60.5 |
7.04 |
-8.96 |
-1.11 |
0 |
|
|
78716 |
49703905 |
1 |
F2N3O3H19C21 |
A2B3C3D19E21 |
-133.24 |
7.01 |
-8.94 |
-1.13 |
0 |
|
|
78717 |
49703908 |
1 |
N3O3C25H27 |
A3B3C25D27 |
-52.45 |
5.99 |
-8.41 |
-0.63 |
0 |
|
|
78718 |
49703910 |
1 |
N3O4C24H27 |
A3B4C24D27 |
-90.79 |
8.83 |
-8.87 |
-0.88 |
0 |
|
|
78719 |
49703918 |
1 |
F3N3O4C24H24 |
A3B3C4D24E24 |
-247.53 |
5.74 |
-8.96 |
-1.14 |
0 |
|
|
78720 |
49703923 |
1 |
SN4O5C20H26 |
AB4C5D20E26 |
-147.46 |
8.66 |
-8.93 |
-0.78 |
0 |
|
|
78721 |
49703924 |
1 |
N4O4C25H28 |
A4B4C25D28 |
-79.7 |
5.36 |
-7.94 |
-1.03 |
0 |
|
|
78722 |
49703930 |
1 |
N5O5C26H29 |
A5B5C26D29 |
-138.28 |
5.32 |
-8.86 |
-0.98 |
0 |
|
|
78723 |
49703935 |
1 |
SN4O4C22H24 |
AB4C4D22E24 |
-84.04 |
6.86 |
-9.4 |
-1.1 |
0 |
|
|
78724 |
49703936 |
1 |
S2O4N5H21C23 |
A2B4C5D21E23 |
-39.57 |
11.99 |
-8.56 |
-1.41 |
0 |
|
|
78725 |
49703941 |
1 |
N4O4C23H24 |
A4B4C23D24 |
-60.63 |
2.64 |
-9.22 |
-0.95 |
0 |
|
|
78726 |
49703952 |
2 |
ON2C10H10 |
AB2C10D10 |
8.18 |
6.17 |
-9.48 |
-1.12 |
0 |
|
|
78727 |
49703954 |
1 |
SO2N3C19H19 |
AB2C3D19E19 |
4.81 |
5.85 |
-9.25 |
-0.94 |
0 |
|
|
78728 |
49703955 |
1 |
N3O4H21C22 |
A3B4C21D22 |
-73.3 |
3.03 |
-8.22 |
-1.06 |
0 |
|
|
78729 |
49703956 |
1 |
N3O4H19C21 |
A3B4C19D21 |
-64.08 |
4.54 |
-8.34 |
-1.14 |
0 |
|
|
78730 |
49703961 |
1 |
SO2N4C18H18 |
AB2C4D18E18 |
12.56 |
6.3 |
-8.88 |
-1.13 |
0 |
|
|
78731 |
49703974 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-42.65 |
3.34 |
-9.09 |
-0.99 |
0 |
|
|
78732 |
49703985 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-40.07 |
7.02 |
-8.94 |
-0.99 |
0 |
|
|
78733 |
49703987 |
1 |
O2N3H21C22 |
A2B3C21D22 |
5.86 |
6.87 |
-8.48 |
-1.01 |
0 |
|
|
78734 |
49703988 |
1 |
O2N3C23H23 |
A2B3C23D23 |
0.22 |
6.93 |
-8.55 |
-0.98 |
0 |
|
|
78735 |
49703992 |
1 |
F2O2N3H17C20 |
A2B2C3D17E20 |
-89.82 |
6.21 |
-9.07 |
-1.11 |
0 |
|
|
78736 |
49703993 |
1 |
F2O2N3H17C20 |
A2B2C3D17E20 |
-92.0 |
7.58 |
-9.03 |
-1.25 |
0 |
|
|
78737 |
49703994 |
2 |
ON2C12H14 |
AB2C12D14 |
-9.21 |
5.8 |
-7.65 |
-0.94 |
0 |
|
|
78738 |
49703998 |
1 |
N3O4C22H23 |
A3B4C22D23 |
-76.32 |
4.53 |
-8.18 |
-0.95 |
0 |
|
|
78739 |
49704001 |
2 |
N2O2H9C10 |
A2B2C9D10 |
-6.53 |
1.99 |
-9.51 |
-1.4 |
0 |
|
|
78740 |
49704019 |
1 |
FO2N3H18C20 |
AB2C3D18E20 |
-48.93 |
6.16 |
-8.99 |
-1.17 |
0 |
|
|
78741 |
49704029 |
1 |
O2N3H21C24 |
A2B3C21D24 |
20.17 |
6.28 |
-8.46 |
-1.09 |
0 |
|
|
78742 |
49704030 |
1 |
O2N3C21H21 |
A2B3C21D21 |
-10.65 |
3.81 |
-8.64 |
-1.05 |
0 |
|
|
78743 |
49704032 |
1 |
O2N3C22H23 |
A2B3C22D23 |
-13.15 |
6.74 |
-8.66 |
-1.08 |
0 |
|
|
78744 |
49718104 |
1 |
FNSO4C13H18 |
ABCD4E13F18 |
-199.18 |
6.58 |
-9.7 |
-0.73 |
0 |
|
|
78745 |
49718107 |
1 |
ClNSO3C13H18 |
ABCD3E13F18 |
-135.46 |
4.9 |
-9.66 |
-0.81 |
0 |
|
|
78746 |
49718129 |
1 |
NSO5C14H21 |
ABC5D14E21 |
-202.13 |
5.29 |
-9.65 |
-0.38 |
0 |
|
|
78747 |
49718173 |
1 |
F2N2O3C14H16 |
A2B2C3D14E16 |
-210.47 |
3.58 |
-9.33 |
-0.74 |
0 |
|
|
78748 |
49718175 |
1 |
N3O4C14H25 |
A3B4C14D25 |
-189.82 |
1.56 |
-9.01 |
0.0 |
0 |
|
|
78749 |
49718176 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-144.69 |
1.77 |
-8.87 |
-0.09 |
0 |
|
|
78750 |
49718177 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-139.79 |
2.09 |
-8.79 |
-0.45 |
0 |
|
|
78751 |
49718178 |
2 |
NO2C8H11 |
AB2C8D11 |
-168.47 |
1.15 |
-8.44 |
-0.35 |
0 |