List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
68851 |
46509446 |
1 |
O4N5C22H23 |
A4B5C22D23 |
-71.23 |
4.19 |
-9.2 |
-1.35 |
0 |
|
|
68852 |
46509447 |
1 |
SO3N5C25H25 |
AB3C5D25E25 |
21.45 |
5.36 |
-8.07 |
-1.21 |
0 |
|
|
68853 |
46509453 |
1 |
NSF2O3H17C18 |
ABC2D3E17F18 |
-196.92 |
2.03 |
-8.83 |
-1.6 |
0 |
|
|
68854 |
46509455 |
1 |
SF2N2O4C18H22 |
AB2C2D4E18F22 |
-275.74 |
2.01 |
-9.61 |
-1.36 |
0 |
|
|
68855 |
46509459 |
1 |
ClN4O4H23C25 |
AB4C4D23E25 |
-65.72 |
7.58 |
-8.72 |
-1.32 |
0 |
|
|
68856 |
46509480 |
1 |
SN4O4H22C24 |
AB4C4D22E24 |
-48.06 |
4.32 |
-9.0 |
-1.22 |
0 |
|
|
68857 |
46509497 |
1 |
FN2O5H25C27 |
AB2C5D25E27 |
-177.06 |
2.6 |
-8.21 |
-0.65 |
0 |
|
|
68858 |
46509502 |
1 |
F3O4N6C16H19 |
A3B4C6D16E19 |
-276.43 |
6.16 |
-10.5 |
-1.7 |
0 |
|
|
68859 |
46509534 |
1 |
F2N2O5H16C23 |
A2B2C5D16E23 |
-151.09 |
10.68 |
-9.66 |
-1.42 |
0 |
|
|
68860 |
46509572 |
2 |
NO2C12H13 |
AB2C12D13 |
-128.34 |
7.51 |
-8.56 |
-0.63 |
0 |
|
|
68861 |
46509667 |
1 |
N3O5C22H25 |
A3B5C22D25 |
-181.02 |
3.68 |
-9.22 |
-0.73 |
0 |
|
|
68862 |
46509679 |
1 |
FSO3N4H21C24 |
ABC3D4E21F24 |
-42.54 |
8.02 |
-9.64 |
-1.44 |
0 |
|
|
68863 |
46509734 |
1 |
FSN4O5H19C23 |
ABC4D5E19F23 |
-121.42 |
4.63 |
-9.46 |
-1.25 |
0 |
|
|
68864 |
46509735 |
1 |
FSO2N5H16C23 |
ABC2D5E16F23 |
46.37 |
4.37 |
-9.53 |
-1.21 |
0 |
|
|
68865 |
46509736 |
1 |
FSO2N8H17C23 |
ABC2D8E17F23 |
70.71 |
4.62 |
-8.76 |
-1.18 |
0 |
|
|
68866 |
46509793 |
1 |
FSN4O4H19C23 |
ABC4D4E19F23 |
-79.69 |
4.53 |
-9.43 |
-1.23 |
0 |
|
|
68867 |
46509972 |
1 |
SO3N4C24H24 |
AB3C4D24E24 |
3.72 |
6.67 |
-8.78 |
-0.98 |
0 |
|
|
68868 |
46510080 |
1 |
O3N4C15H16 |
A3B4C15D16 |
-5.24 |
5.3 |
-8.98 |
-1.0 |
0 |
|
|
68869 |
46510177 |
2 |
NO2C7H8 |
AB2C7D8 |
-116.79 |
3.11 |
-8.92 |
-0.73 |
0 |
|
|
68870 |
46510366 |
1 |
BrN2O5C20H23 |
AB2C5D20E23 |
-146.79 |
7.42 |
-9.23 |
-0.88 |
0 |
|
|
68871 |
46510654 |
2 |
NO2C11H13 |
AB2C11D13 |
-132.96 |
7.29 |
-8.76 |
-0.57 |
0 |
|
|
68872 |
46510669 |
1 |
N2S2O5H20C22 |
A2B2C5D20E22 |
-121.64 |
4.47 |
-8.3 |
-1.13 |
0 |
|
|
68873 |
46510670 |
1 |
FN2S2O3H19C21 |
AB2C2D3E19F21 |
-104.0 |
5.06 |
-8.86 |
-1.37 |
0 |
|
|
68874 |
46510808 |
1 |
S2O5N6C19H26 |
A2B5C6D19E26 |
-158.58 |
8.99 |
-9.36 |
-0.91 |
0 |
|
|
68875 |
46510874 |
1 |
SO3N6C21H30 |
AB3C6D21E30 |
-113.59 |
4.97 |
-9.24 |
-0.86 |
0 |
|
|
68876 |
46510875 |
1 |
ClSO3N5C19H24 |
ABC3D5E19F24 |
-94.53 |
5.21 |
-8.87 |
-0.78 |
0 |
|
|
68877 |
46510978 |
1 |
N3O6C22H23 |
A3B6C22D23 |
-138.57 |
7.11 |
-8.55 |
-0.73 |
0 |
|
|
68878 |
46510979 |
1 |
ClSN2O4H15C19 |
ABC2D4E15F19 |
-89.28 |
7.51 |
-9.18 |
-1.55 |
0 |
|
|
68879 |
46511027 |
2 |
NOC9H10 |
ABC9D10 |
-37.84 |
5.44 |
-9.58 |
-0.46 |
0 |
|
|
68880 |
46511057 |
1 |
SN2O3H18C21 |
AB2C3D18E21 |
-1.47 |
7.74 |
-9.05 |
-1.15 |
0 |
|
|
68881 |
46511074 |
1 |
SN2O3C21H24 |
AB2C3D21E24 |
-71.67 |
4.13 |
-8.49 |
-0.09 |
0 |
|
|
68882 |
46511112 |
1 |
ON3S3H23C24 |
AB3C3D23E24 |
48.83 |
5.78 |
-8.83 |
-0.81 |
0 |
|
|
68883 |
46511199 |
1 |
ClFSN4O4H14C20 |
ABCD4E4F14G20 |
-48.84 |
1.35 |
-9.36 |
-1.36 |
0 |
|
|
68884 |
46511200 |
1 |
S2N3O4C20H27 |
A2B3C4D20E27 |
-120.66 |
2.79 |
-8.73 |
-1.12 |
0 |
|
|
68885 |
46511211 |
1 |
S2N3O4C18H23 |
A2B3C4D18E23 |
-105.76 |
4.24 |
-8.87 |
-1.28 |
0 |
|
|
68886 |
46511221 |
1 |
BrSN3O4C16H24 |
ABC3D4E16F24 |
-155.89 |
5.59 |
-9.03 |
-0.71 |
0 |
|
|
68887 |
46511223 |
1 |
ClOSN2C14H15 |
ABCD2E14F15 |
-11.85 |
2.79 |
-9.05 |
-0.85 |
0 |
|
|
68888 |
46511224 |
1 |
O2S2N3C23H31 |
A2B2C3D23E31 |
-51.98 |
0.99 |
-8.84 |
-0.62 |
0 |
|
|
68889 |
46511225 |
1 |
N3O5C17H19 |
A3B5C17D19 |
-119.51 |
2.72 |
-8.46 |
-0.81 |
0 |
|
|
68890 |
46511282 |
1 |
FSN4H15C22 |
ABC4D15E22 |
108.52 |
1.84 |
-8.65 |
-0.94 |
0 |
|
|
68891 |
46511295 |
1 |
SN2F3O3C17H19 |
AB2C3D3E17F19 |
-252.13 |
7.8 |
-9.8 |
-0.96 |
0 |
|
|
68892 |
46511415 |
1 |
FN3O3H16C20 |
AB3C3D16E20 |
-48.22 |
2.39 |
-8.55 |
-0.89 |
0 |
|
|
68893 |
46511417 |
1 |
FOS2N5H10C12 |
ABC2D5E10F12 |
58.13 |
3.79 |
-9.02 |
-1.25 |
0 |
|
|
68894 |
46511420 |
1 |
FOS3N4H13C18 |
ABC3D4E13F18 |
92.14 |
3.01 |
-8.71 |
-1.44 |
0 |
|
|
68895 |
46511421 |
1 |
OSN4H20C24 |
ABC4D20E24 |
137.76 |
3.73 |
-8.72 |
-0.74 |
0 |
|
|
68896 |
46511424 |
1 |
SN2O5H22C24 |
AB2C5D22E24 |
-99.66 |
4.9 |
-9.45 |
-0.79 |
0 |
|
|
68897 |
46511425 |
1 |
ClFN2O4H18C20 |
ABC2D4E18F20 |
-116.14 |
2.47 |
-9.03 |
-1.04 |
0 |
|
|
68898 |
46511426 |
2 |
NO2H8C12 |
AB2C8D12 |
-46.28 |
5.35 |
-9.53 |
-1.52 |
0 |
|
|
68899 |
46511432 |
1 |
N3O3H17C24 |
A3B3C17D24 |
-0.17 |
6.41 |
-9.41 |
-0.93 |
0 |
|
|
68900 |
46511450 |
1 |
FOSN6H19C24 |
ABCD6E19F24 |
107.33 |
4.01 |
-9.11 |
-1.1 |
0 |
|
|
68901 |
46511451 |
1 |
FN2O5H21C22 |
AB2C5D21E22 |
-148.23 |
7.08 |
-9.47 |
-0.87 |
0 |
|
|
68902 |
46511460 |
1 |
FSN3O5C20H20 |
ABC3D5E20F20 |
-143.8 |
3.95 |
-9.64 |
-1.42 |
0 |
|
|
68903 |
46511478 |
1 |
F3N3O3H20C21 |
A3B3C3D20E21 |
-196.78 |
2.11 |
-9.4 |
-0.81 |
0 |
|
|
68904 |
46511514 |
1 |
ClFN2O5H14C19 |
ABC2D5E14F19 |
-135.96 |
7.06 |
-9.4 |
-1.12 |
0 |
|
|
68905 |
46511515 |
1 |
FN3O3H14C19 |
AB3C3D14E19 |
-41.86 |
7.25 |
-9.15 |
-0.82 |
0 |
|
|
68906 |
46511524 |
1 |
FN2O5H19C20 |
AB2C5D19E20 |
-136.23 |
1.97 |
-8.49 |
-0.97 |
0 |
|
|
68907 |
46511525 |
1 |
FSO3N5C24H24 |
ABC3D5E24F24 |
-17.99 |
6.93 |
-8.99 |
-1.12 |
0 |
|
|
68908 |
46511526 |
1 |
N2O3H22C25 |
A2B3C22D25 |
-41.08 |
6.17 |
-9.41 |
-0.8 |
0 |
|
|
68909 |
46511537 |
1 |
N3O6C13H13 |
A3B6C13D13 |
-138.14 |
6.7 |
-10.17 |
-1.52 |
0 |
|
|
68910 |
46511538 |
1 |
FN2O3H15C19 |
AB2C3D15E19 |
-44.09 |
5.33 |
-9.48 |
-1.04 |
0 |
|
|
68911 |
46511554 |
1 |
FSN3O5C25H26 |
ABC3D5E25F26 |
-157.64 |
9.78 |
-9.16 |
-0.66 |
0 |
|
|
68912 |
46511716 |
1 |
O2F3N3C20H24 |
A2B3C3D20E24 |
-194.74 |
6.62 |
-9.4 |
-0.7 |
0 |
|
|
68913 |
46511793 |
1 |
SO3N4H18C19 |
AB3C4D18E19 |
-57.05 |
1.28 |
-8.96 |
-1.11 |
0 |
|
|
68914 |
46511795 |
1 |
SF2N2O4C24H30 |
AB2C2D4E24F30 |
-232.04 |
3.35 |
-9.63 |
-0.92 |
0 |
|
|
68915 |
46511864 |
1 |
SN3O3H17C23 |
AB3C3D17E23 |
-6.87 |
3.74 |
-9.02 |
-0.98 |
0 |
|
|
68916 |
46511932 |
1 |
SN3O5C19H27 |
AB3C5D19E27 |
-185.7 |
7.33 |
-9.22 |
-0.77 |
0 |
|
|
68917 |
46511933 |
2 |
NO2C10H12 |
AB2C10D12 |
-122.46 |
9.41 |
-8.83 |
-0.76 |
0 |
|
|
68918 |
46511934 |
1 |
SF3O3N4C21H21 |
AB3C3D4E21F21 |
-198.96 |
6.87 |
-9.73 |
-1.5 |
0 |
|
|
68919 |
46512066 |
1 |
SCl2O3N4H14C20 |
AB2C3D4E14F20 |
-43.8 |
1.3 |
-8.62 |
-1.98 |
0 |
|
|
68920 |
46512075 |
1 |
ClNSF2O5H18C20 |
ABCD2E5F18G20 |
-251.23 |
6.42 |
-9.7 |
-1.41 |
0 |
|
|
68921 |
46512076 |
1 |
ClNSO7H22C23 |
ABCD7E22F23 |
-233.27 |
5.85 |
-9.26 |
-1.1 |
0 |
|
|
68922 |
46512077 |
1 |
SCl2N3O5H19C21 |
AB2C3D5E19F21 |
-110.46 |
1.25 |
-9.66 |
-1.11 |
0 |
|
|
68923 |
46512125 |
1 |
S2N3O5H17C21 |
A2B3C5D17E21 |
-92.42 |
2.33 |
-9.03 |
-1.22 |
0 |
|
|
68924 |
46512160 |
1 |
SCl2N2O5C20H20 |
AB2C2D5E20F20 |
-180.66 |
5.9 |
-8.98 |
-1.13 |
0 |
|
|
68925 |
46512161 |
1 |
ClSN2O5C22H25 |
ABC2D5E22F25 |
-179.33 |
3.71 |
-9.52 |
-0.94 |
0 |
|
|
68926 |
46512162 |
1 |
SN2O5H18C20 |
AB2C5D18E20 |
-118.92 |
5.15 |
-8.72 |
-1.2 |
0 |
|
|
68927 |
46512217 |
1 |
SN2O5H14C20 |
AB2C5D14E20 |
-56.49 |
7.14 |
-9.08 |
-1.25 |
0 |
|
|
68928 |
46512397 |
1 |
O2N3F5H20C21 |
A2B3C5D20E21 |
-269.08 |
5.17 |
-9.76 |
-0.64 |
0 |
|
|
68929 |
46512535 |
1 |
S2N9C20H23 |
A2B9C20D23 |
187.26 |
5.54 |
-8.4 |
-1.1 |
0 |
|
|
68930 |
46512537 |
1 |
SO2N5C21H33 |
AB2C5D21E33 |
-46.77 |
5.96 |
-8.7 |
-0.24 |
0 |
|
|
68931 |
46512538 |
1 |
O3F4N5H19C21 |
A3B4C5D19E21 |
-135.6 |
4.89 |
-9.57 |
-1.44 |
0 |
|
|
68932 |
46512548 |
1 |
OSN4C18H18 |
ABC4D18E18 |
35.24 |
4.35 |
-8.5 |
-0.72 |
0 |
|
|
68933 |
46512614 |
1 |
N3O3H13C17 |
A3B3C13D17 |
-42.56 |
4.82 |
-9.46 |
-1.49 |
0 |
|
|
68934 |
46512739 |
1 |
ON3C23H27 |
AB3C23D27 |
8.7 |
2.41 |
-8.43 |
0.07 |
0 |
|
|
68935 |
46512784 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-99.01 |
4.58 |
-8.36 |
0.0 |
0 |
|
|
68936 |
46512956 |
1 |
BrN3O4C18H20 |
AB3C4D18E20 |
-118.68 |
3.52 |
-8.77 |
-0.52 |
0 |
|
|
68937 |
46513046 |
1 |
FO2N5C21H22 |
AB2C5D21E22 |
-41.69 |
3.08 |
-8.99 |
-0.71 |
0 |
|
|
68938 |
46513047 |
1 |
N4O4C25H30 |
A4B4C25D30 |
-111.97 |
6.56 |
-8.79 |
-0.7 |
0 |
|
|
68939 |
46513051 |
1 |
F2N2O3C20H20 |
A2B2C3D20E20 |
-137.19 |
3.19 |
-9.04 |
-0.76 |
0 |
|
|
68940 |
46513101 |
1 |
FO2N3C21H22 |
AB2C3D21E22 |
-60.01 |
3.33 |
-9.0 |
-0.17 |
0 |
|
|
68941 |
46513109 |
1 |
SF2N2O3C24H30 |
AB2C2D3E24F30 |
-208.84 |
8.24 |
-9.21 |
-0.44 |
0 |
|
|
68942 |
46513110 |
1 |
F2N3O3C25H27 |
A2B3C3D25E27 |
-158.8 |
3.18 |
-9.12 |
-0.78 |
0 |
|
|
68943 |
46513128 |
1 |
F2N2O3H14C16 |
A2B2C3D14E16 |
-94.06 |
6.44 |
-9.99 |
-1.71 |
0 |
|
|
68944 |
46513142 |
1 |
SN3O4C21H29 |
AB3C4D21E29 |
-143.11 |
4.7 |
-9.41 |
-0.38 |
0 |
|
|
68945 |
46513422 |
1 |
SN2F3O4H17C19 |
AB2C3D4E17F19 |
-241.74 |
2.29 |
-8.36 |
-0.89 |
0 |
|
|
68946 |
46513440 |
1 |
FSN2O3H21C23 |
ABC2D3E21F23 |
-71.93 |
6.45 |
-9.24 |
-1.04 |
0 |
|
|
68947 |
46513441 |
1 |
SN2O3H24C25 |
AB2C3D24E25 |
-28.16 |
4.69 |
-8.51 |
-0.94 |
0 |
|
|
68948 |
46513477 |
1 |
SO3N4C24H24 |
AB3C4D24E24 |
-11.24 |
1.98 |
-8.79 |
-0.94 |
0 |
|
|
68949 |
46513478 |
1 |
ClOS2N4C20H23 |
ABC2D4E20F23 |
24.6 |
7.77 |
-9.18 |
-1.2 |
0 |
|
|
68950 |
46513479 |
1 |
ClO2N3C20H24 |
AB2C3D20E24 |
-71.2 |
5.99 |
-9.29 |
-0.14 |
0 |