List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
319943 |
126657642 |
1 |
O3H16C19 |
A3B16C19 |
-19.6 |
1.83 |
-8.95 |
-0.66 |
0 |
|
|
319944 |
126657644 |
1 |
ON8H28C29 |
AB8C28D29 |
206.75 |
5.24 |
-8.04 |
-1.7 |
0 |
|
|
319945 |
126657647 |
1 |
O4N5H23C32 |
A4B5C23D32 |
8.8 |
5.87 |
-8.44 |
-1.14 |
0 |
|
|
319946 |
126657648 |
2 |
OC3H4 |
AB3C4 |
-43.67 |
5.57 |
-9.94 |
-0.56 |
0 |
|
|
319947 |
126657653 |
1 |
N2C17H20 |
A2B17C20 |
47.39 |
3.5 |
-8.01 |
-0.02 |
0 |
|
|
319948 |
126657656 |
1 |
N5H53C80 |
A5B53C80 |
352.62 |
4.35 |
-7.94 |
-0.57 |
0 |
|
|
319949 |
126657657 |
1 |
S3N4H42C62 |
A3B4C42D62 |
274.87 |
5.1 |
-7.66 |
-0.62 |
0 |
|
|
319950 |
126657658 |
1 |
SN6H48C74 |
AB6C48D74 |
344.98 |
3.01 |
-7.68 |
-0.85 |
0 |
|
|
319951 |
126657660 |
1 |
S3N5H53C80 |
A3B5C53D80 |
362.37 |
4.5 |
-7.65 |
-0.65 |
0 |
|
|
319952 |
126657663 |
1 |
ON7C25H29 |
AB7C25D29 |
71.74 |
2.45 |
-8.1 |
-0.27 |
0 |
|
|
319953 |
126657666 |
1 |
S2N5H53C80 |
A2B5C53D80 |
356.27 |
4.79 |
-7.49 |
-0.52 |
0 |
|
|
319955 |
126657671 |
1 |
N2O2H52C75 |
A2B2C52D75 |
253.46 |
2.29 |
-7.38 |
-0.91 |
0 |
|
|
319956 |
126657672 |
1 |
FNO4H22C28 |
ABC4D22E28 |
-105.82 |
17.21 |
-8.24 |
-1.85 |
0 |
|
|
319958 |
126657683 |
1 |
O2N3F4C26H27 |
A2B3C4D26E27 |
-217.32 |
5.06 |
-8.77 |
-0.82 |
0 |
|
|
319960 |
126657685 |
2 |
NOF2C14H14 |
ABC2D14E14 |
-230.69 |
3.2 |
-8.88 |
-0.6 |
0 |
|
|
319963 |
126657695 |
1 |
SF2O3N4C26H26 |
AB2C3D4E26F26 |
-58.87 |
5.88 |
-7.32 |
-1.21 |
0 |
|
|
319964 |
126657697 |
1 |
ClIN3O7H27C33 |
ABC3D7E27F33 |
-144.84 |
3.55 |
-9.16 |
-1.06 |
0 |
|
|
319965 |
126657702 |
1 |
SN2O2C10H22 |
AB2C2D10E22 |
-117.67 |
3.35 |
-9.57 |
0.26 |
0 |
|
|
319966 |
126657703 |
1 |
FSO2N4C26H27 |
ABC2D4E26F27 |
27.05 |
6.04 |
-7.31 |
-1.03 |
0 |
|
|
319967 |
126657704 |
1 |
BrSO2N3C16H20 |
ABC2D3E16F20 |
45.41 |
7.76 |
-7.08 |
-0.85 |
0 |
|
|
319969 |
126657706 |
1 |
SN2O2C9H14 |
AB2C2D9E14 |
-69.79 |
5.47 |
-9.23 |
-0.31 |
0 |
|
|
319973 |
126657710 |
1 |
IOF4H7C9 |
ABC4D7E9 |
-214.19 |
2.11 |
-9.71 |
-1.15 |
0 |
|
|
319974 |
126657711 |
1 |
O2N4H20C21 |
A2B4C20D21 |
13.08 |
5.03 |
-8.8 |
-1.1 |
0 |
|
|
319975 |
126657712 |
1 |
NC8H15 |
AB8C15 |
-1.97 |
1.41 |
-7.65 |
1.17 |
0 |
|
|
319976 |
126657714 |
1 |
NOC16H33 |
ABC16D33 |
-124.81 |
4.03 |
-9.65 |
1.44 |
0 |
|
|
319977 |
126657718 |
1 |
NC20H33 |
AB20C33 |
-28.03 |
1.98 |
-9.3 |
0.19 |
0 |
|
|
319979 |
126657722 |
1 |
ON3F5H24C25 |
AB3C5D24E25 |
-218.37 |
1.5 |
-8.99 |
-0.99 |
0 |
|
|
319980 |
126657723 |
1 |
OF4N4C24H26 |
AB4C4D24E26 |
-176.38 |
8.82 |
-8.54 |
-0.61 |
0 |
|
|
319981 |
126657725 |
1 |
N2O2H56C79 |
A2B2C56D79 |
248.27 |
1.25 |
-7.67 |
-1.02 |
0 |
|
|
319982 |
126657726 |
1 |
NC12H25 |
AB12C25 |
-38.06 |
1.41 |
-8.7 |
3.17 |
0 |
|
|
319983 |
126657729 |
2 |
OF2H6C8 |
AB2C6D8 |
-235.14 |
0.71 |
-9.78 |
-1.11 |
0 |
|
|
319984 |
126657732 |
1 |
IPN2H14C15 |
ABC2D14E15 |
87.26 |
1.62 |
-8.81 |
-1.35 |
0 |
|
|
319985 |
126657734 |
1 |
ClFNO3H29C30 |
ABCD3E29F30 |
-71.0 |
6.77 |
-8.59 |
-1.04 |
0 |
|
|
319987 |
126657740 |
1 |
NC20H41 |
AB20C41 |
-83.02 |
1.94 |
-8.61 |
3.32 |
0 |
|
|
319988 |
126657741 |
1 |
OC15H26 |
AB15C26 |
-79.02 |
2.65 |
-8.97 |
1.42 |
0 |
|
|
319989 |
126657742 |
2 |
ON2H13C17 |
AB2C13D17 |
124.66 |
3.32 |
-9.61 |
-1.0 |
0 |
|
|
319990 |
126657747 |
1 |
ClOH15C16 |
ABC15D16 |
-17.18 |
2.79 |
-9.17 |
-0.12 |
0 |
|
|
319992 |
126657765 |
1 |
FOC17H17 |
ABC17D17 |
-54.36 |
1.9 |
-9.24 |
-0.22 |
0 |
|
|
319993 |
126657766 |
1 |
N2O5H16C17 |
A2B5C16D17 |
-20.92 |
6.42 |
-10.42 |
-1.57 |
0 |
|
|
319995 |
126657774 |
1 |
ClNC7H10 |
ABC7D10 |
30.94 |
2.46 |
-8.68 |
-0.19 |
0 |
|
|
319997 |
126657778 |
4 |
NH2C3 |
AB2C3 |
110.39 |
3.02 |
-9.62 |
-1.52 |
0 |
|
|
319998 |
126657779 |
1 |
SO3N4C25H26 |
AB3C4D25E26 |
42.54 |
8.64 |
-7.35 |
-1.2 |
0 |
|
|
320000 |
126657785 |
1 |
N2C11H16 |
A2B11C16 |
64.69 |
1.37 |
-8.94 |
-0.57 |
0 |
|
|
320001 |
126657786 |
1 |
NC11H25 |
AB11C25 |
-51.72 |
1.82 |
-9.3 |
3.45 |
0 |
|
|
320002 |
126657787 |
1 |
ClO3N5C23H24 |
AB3C5D23E24 |
-26.46 |
3.55 |
-8.5 |
-0.73 |
0 |
|
|
320003 |
126657793 |
1 |
FN3O5C16H22 |
AB3C5D16E22 |
-240.5 |
6.81 |
-9.17 |
-0.94 |
0 |
|
|
320004 |
126657799 |
1 |
IPN2H12C13 |
ABC2D12E13 |
63.26 |
1.89 |
-9.23 |
-1.21 |
0 |
|
|
320005 |
126657825 |
1 |
N5C25H29 |
A5B25C29 |
257.37 |
3.17 |
-8.12 |
-0.7 |
0 |
|
|
320006 |
126657829 |
1 |
NO3C16H27 |
AB3C16D27 |
-149.88 |
4.69 |
-9.32 |
0.66 |
0 |
|
|
320007 |
126657842 |
1 |
ClFO2N6C34H40 |
ABC2D6E34F40 |
-38.18 |
4.32 |
-8.9 |
-1.27 |
0 |
|
|
320008 |
126657846 |
1 |
N2C41H74 |
A2B41C74 |
-88.63 |
1.33 |
-7.81 |
1.29 |
0 |
|
|
320009 |
126657849 |
1 |
Cl2F2O5N11C52H55 |
A2B2C5D11E52F55 |
-117.56 |
12.15 |
-8.52 |
-1.23 |
0 |
|
|
320010 |
126657850 |
1 |
NOC11H21 |
ABC11D21 |
-65.97 |
2.75 |
-8.36 |
2.5 |
0 |
|
|
320011 |
126657852 |
1 |
ClFO3N6C30H36 |
ABC3D6E30F36 |
-93.53 |
3.05 |
-8.96 |
-1.26 |
0 |
|
|
320012 |
126657862 |
1 |
O2N4C45H52 |
A2B4C45D52 |
9.62 |
4.16 |
-8.2 |
0.12 |
0 |
|
|
320013 |
126657869 |
2 |
ON2C11H20 |
AB2C11D20 |
-109.92 |
3.58 |
-8.9 |
-0.01 |
0 |
|
|
320016 |
126657882 |
1 |
O3N4C23H40 |
A3B4C23D40 |
-135.62 |
4.54 |
-8.96 |
-0.16 |
0 |
|
|
320017 |
126657887 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-109.9 |
2.91 |
-9.0 |
0.58 |
0 |
|
|
320018 |
126657888 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-87.2 |
2.9 |
-9.0 |
-0.06 |
0 |
|
|
320019 |
126657891 |
1 |
O2N4C21H38 |
A2B4C21D38 |
-101.73 |
2.39 |
-8.6 |
-0.03 |
0 |
|
|
320020 |
126657900 |
1 |
NO4C26H31 |
AB4C26D31 |
-142.45 |
1.5 |
-8.87 |
0.11 |
0 |
|
|
320021 |
126657911 |
2 |
ON2C11H19 |
AB2C11D19 |
-100.5 |
3.89 |
-8.84 |
-0.16 |
0 |
|
|
320022 |
126657913 |
2 |
OH9C14 |
AB9C14 |
33.56 |
0.1 |
-8.38 |
-1.27 |
0 |
|
|
320023 |
126657930 |
1 |
ClFO2N5C33H39 |
ABC2D5E33F39 |
-72.78 |
11.84 |
-8.46 |
-0.9 |
0 |
|
|
320024 |
126657934 |
1 |
NOSC14H23 |
ABCD14E23 |
-44.28 |
3.33 |
-8.35 |
0.29 |
0 |
|
|
320025 |
126657960 |
1 |
SN4O4C36H48 |
AB4C4D36E48 |
-115.21 |
4.29 |
-8.47 |
-0.94 |
0 |
|
|
320026 |
126657971 |
1 |
N2O3C9H16 |
A2B3C9D16 |
-134.63 |
4.18 |
-9.91 |
0.44 |
0 |
|
|
320027 |
126657980 |
1 |
FON3H16C17 |
ABC3D16E17 |
-27.47 |
1.84 |
-8.68 |
-0.8 |
0 |
|
|
320028 |
126657989 |
2 |
NO3C14H26 |
AB3C14D26 |
-314.97 |
4.68 |
-9.39 |
0.43 |
0 |
|
|
320029 |
126658006 |
2 |
ON2C12H21 |
AB2C12D21 |
-99.16 |
7.9 |
-8.75 |
0.22 |
0 |
|
|
320030 |
126658007 |
1 |
O2N3C23H31 |
A2B3C23D31 |
-68.08 |
4.43 |
-9.03 |
-0.1 |
0 |
|
|
320031 |
126658008 |
1 |
NC13H27 |
AB13C27 |
-39.73 |
1.49 |
-8.46 |
2.83 |
0 |
|
|
320032 |
126658028 |
1 |
FO6N10C57H69 |
AB6C10D57E69 |
-214.71 |
5.48 |
-8.07 |
-0.39 |
0 |
|
|
320033 |
126658036 |
1 |
NSC14H19 |
ABC14D19 |
5.14 |
0.62 |
-8.81 |
-0.44 |
0 |
|
|
320034 |
126658039 |
1 |
IN4C9H15 |
AB4C9D15 |
23.96 |
2.59 |
-7.8 |
-0.58 |
0 |