List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
324922 |
126678652 |
1 |
SN2C14H26 |
AB2C14D26 |
24.82 |
3.57 |
-8.45 |
-0.34 |
0 |
|
|
324923 |
126678654 |
1 |
N3C18H23 |
A3B18C23 |
32.9 |
1.87 |
-7.66 |
0.15 |
0 |
|
|
324924 |
126678669 |
1 |
S2N3O7C22H35 |
A2B3C7D22E35 |
-333.5 |
3.89 |
-9.13 |
-1.09 |
0 |
|
|
324925 |
126678682 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-38.28 |
5.63 |
-8.76 |
-0.64 |
0 |
|
|
324926 |
126678686 |
1 |
N2C21H30 |
A2B21C30 |
20.85 |
0.56 |
-7.66 |
0.32 |
0 |
|
|
324927 |
126678690 |
1 |
O2N6C27H34 |
A2B6C27D34 |
6.48 |
5.54 |
-8.33 |
-0.79 |
0 |
|
|
324928 |
126678702 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-7.51 |
4.67 |
-8.08 |
0.13 |
0 |
|
|
324929 |
126678722 |
2 |
ON3C12H15 |
AB3C12D15 |
17.55 |
6.46 |
-8.6 |
-0.68 |
0 |
|
|
324930 |
126678725 |
1 |
O3N4C26H30 |
A3B4C26D30 |
-42.35 |
4.01 |
-8.59 |
-0.73 |
0 |
|
|
324931 |
126678743 |
1 |
FO2N5C28H34 |
AB2C5D28E34 |
-50.44 |
7.36 |
-8.36 |
-0.61 |
0 |
|
|
324932 |
126678744 |
1 |
O2N5C27H33 |
A2B5C27D33 |
0.96 |
4.34 |
-8.24 |
-0.56 |
0 |
|
|
324933 |
126678746 |
1 |
N8O9H44C50 |
A8B9C44D50 |
-63.2 |
2.32 |
-8.66 |
-1.09 |
0 |
|
|
324934 |
126678749 |
2 |
N2O3C8H14 |
A2B3C8D14 |
-262.57 |
3.24 |
-9.42 |
-0.88 |
0 |
|
|
324935 |
126678752 |
1 |
O3N5C27H33 |
A3B5C27D33 |
-29.54 |
9.71 |
-8.09 |
-0.46 |
0 |
|
|
324936 |
126678801 |
1 |
O2N5C29H35 |
A2B5C29D35 |
25.37 |
7.25 |
-8.12 |
-0.52 |
0 |
|
|
324937 |
126678802 |
1 |
O2N5C29H37 |
A2B5C29D37 |
-9.77 |
6.77 |
-8.13 |
-0.67 |
0 |
|
|
324938 |
126678823 |
1 |
O2N5C18H19 |
A2B5C18D19 |
24.49 |
5.46 |
-8.51 |
-0.45 |
0 |
|
|
324939 |
126678827 |
1 |
OF2N5C29H35 |
AB2C5D29E35 |
-81.89 |
7.66 |
-8.16 |
-0.71 |
0 |
|
|
324940 |
126678838 |
1 |
F3O3N6H15C19 |
A3B3C6D15E19 |
-133.35 |
4.87 |
-8.98 |
-0.97 |
0 |
|
|
324941 |
126678839 |
1 |
SO2F3N6H15C19 |
AB2C3D6E15F19 |
-90.19 |
4.84 |
-8.8 |
-1.1 |
0 |
|
|
324942 |
126678842 |
1 |
O2N7C22H27 |
A2B7C22D27 |
34.27 |
7.76 |
-8.29 |
-1.35 |
0 |
|
|
324943 |
126678855 |
1 |
IOF2N8H13C15 |
ABC2D8E13F15 |
44.2 |
7.55 |
-8.4 |
-2.01 |
0 |
|
|
324944 |
126678857 |
1 |
N5C12H15 |
A5B12C15 |
64.91 |
3.63 |
-8.36 |
0.1 |
0 |
|
|
324945 |
126678879 |
1 |
ON8C14H16 |
AB8C14D16 |
91.57 |
4.94 |
-8.59 |
-1.09 |
0 |
|
|
324946 |
126678885 |
1 |
ClFON5C15H15 |
ABCD5E15F15 |
5.09 |
6.13 |
-8.89 |
-0.76 |
0 |
|
|
324947 |
126678887 |
1 |
N6O12C27H52 |
A6B12C27D52 |
-567.2 |
9.53 |
-9.01 |
0.67 |
0 |
|
|
324948 |
126678890 |
1 |
ON5C14H25 |
AB5C14D25 |
-29.19 |
5.72 |
-8.46 |
0.24 |
0 |
|
|
324949 |
126678894 |
1 |
ClO3N6C22H25 |
AB3C6D22E25 |
-36.06 |
1.07 |
-9.0 |
-0.7 |
0 |
|
|
324950 |
126678896 |
1 |
ClO3N6C17H19 |
AB3C6D17E19 |
-19.51 |
8.55 |
-8.96 |
-0.9 |
0 |
|
|
324951 |
126678899 |
2 |
N2C5H11 |
A2B5C11 |
1.42 |
2.62 |
-8.74 |
1.22 |
0 |
|
|
324952 |
126678901 |
1 |
OF2N7H13C17 |
AB2C7D13E17 |
16.18 |
7.08 |
-8.89 |
-0.96 |
0 |
|
|
324953 |
126678904 |
1 |
F2O2N6H20C21 |
A2B2C6D20E21 |
-41.03 |
6.41 |
-8.9 |
-1.06 |
0 |
|
|
324954 |
126678915 |
1 |
O3F4N6H14C19 |
A3B4C6D14E19 |
-176.15 |
4.82 |
-9.01 |
-1.15 |
0 |
|
|
324955 |
126678918 |
1 |
ClO3N6C16H17 |
AB3C6D16E17 |
-23.97 |
2.66 |
-9.07 |
-1.0 |
0 |
|
|
324956 |
126678921 |
1 |
O3F4N6H18C19 |
A3B4C6D18E19 |
-218.76 |
3.59 |
-8.96 |
-1.02 |
0 |
|
|
324957 |
126678927 |
1 |
ClO3N5C17H22 |
AB3C5D17E22 |
-61.39 |
6.23 |
-8.27 |
-0.48 |
0 |
|
|
324958 |
126678929 |
1 |
FON5H14C18 |
ABC5D14E18 |
56.72 |
4.63 |
-8.95 |
-0.82 |
0 |
|
|
324959 |
126678936 |
1 |
FN3C21H22 |
AB3C21D22 |
0.54 |
4.08 |
-8.1 |
-0.03 |
0 |
|
|
324960 |
126678945 |
1 |
BrClSO2H12C14 |
ABCD2E12F14 |
-44.5 |
5.15 |
-9.59 |
-1.17 |
0 |
|
|
324961 |
126678946 |
1 |
ClO3N5C13H14 |
AB3C5D13E14 |
-51.14 |
3.76 |
-8.69 |
-1.29 |
0 |
|
|
324962 |
126678948 |
1 |
FN2C8H9 |
AB2C8D9 |
-0.04 |
3.99 |
-8.87 |
-0.36 |
0 |
|
|
324963 |
126678955 |
2 |
ON4H7C9 |
AB4C7D9 |
118.32 |
5.48 |
-9.06 |
-1.24 |
0 |
|
|
324964 |
126678958 |
2 |
ON2C12H13 |
AB2C12D13 |
8.53 |
4.69 |
-8.34 |
-0.9 |
0 |
|
|
324965 |
126678962 |
1 |
ON6C12H12 |
AB6C12D12 |
77.94 |
3.03 |
-9.06 |
-0.98 |
0 |
|
|
324966 |
126678973 |
1 |
F2O2N5H13C14 |
A2B2C5D13E14 |
-100.98 |
3.42 |
-8.47 |
-1.19 |
0 |
|
|
324967 |
126678975 |
1 |
OCl2N5H9C12 |
AB2C5D9E12 |
63.03 |
4.73 |
-8.94 |
-0.84 |
0 |
|
|
324968 |
126678978 |
1 |
O2F3N8H21C22 |
A2B3C8D21E22 |
-86.9 |
5.96 |
-8.73 |
-0.84 |
0 |
|
|
324969 |
126678980 |
1 |
FO2N6H19C20 |
AB2C6D19E20 |
5.84 |
2.44 |
-8.54 |
-0.77 |
0 |
|
|
324970 |
126678985 |
1 |
F3O3N7H20C22 |
A3B3C7D20E22 |
-131.59 |
4.98 |
-8.82 |
-1.04 |
0 |
|
|
324971 |
126678986 |
1 |
F3O3N6H13C18 |
A3B3C6D13E18 |
-142.04 |
2.46 |
-9.03 |
-1.11 |
0 |
|
|
324972 |
126678999 |
1 |
ON4H34C56 |
AB4C34D56 |
256.61 |
3.77 |
-7.91 |
-1.13 |
0 |
|
|
324973 |
126679000 |
1 |
ON2H30C52 |
AB2C30D52 |
232.49 |
0.33 |
-8.06 |
-1.1 |
0 |
|
|
324974 |
126679006 |
1 |
ON4H30C50 |
AB4C30D50 |
243.36 |
3.27 |
-8.25 |
-1.05 |
0 |
|
|
324975 |
126679007 |
1 |
ON2H30C52 |
AB2C30D52 |
217.96 |
1.73 |
-8.02 |
-1.17 |
0 |
|
|
324976 |
126679008 |
1 |
ON2H30C52 |
AB2C30D52 |
215.49 |
2.93 |
-7.87 |
-1.24 |
0 |
|
|
324977 |
126679011 |
1 |
ON4H30C50 |
AB4C30D50 |
228.18 |
4.07 |
-7.92 |
-1.14 |
0 |
|
|
324978 |
126679015 |
1 |
O2N5H13C14 |
A2B5C13D14 |
28.58 |
2.79 |
-9.06 |
-1.01 |
0 |
|
|
324979 |
126679024 |
1 |
ON4H30C50 |
AB4C30D50 |
231.99 |
6.12 |
-7.91 |
-1.18 |
0 |
|
|
324980 |
126679029 |
1 |
ON2H26C44 |
AB2C26D44 |
176.93 |
3.3 |
-7.92 |
-0.78 |
0 |
|
|
324981 |
126679033 |
1 |
ON4H30C50 |
AB4C30D50 |
228.6 |
6.42 |
-7.8 |
-1.28 |
0 |
|
|
324982 |
126679037 |
1 |
ON4H30C50 |
AB4C30D50 |
231.77 |
3.78 |
-7.89 |
-1.15 |
0 |
|
|
324983 |
126679054 |
1 |
ON2H30C52 |
AB2C30D52 |
224.75 |
2.6 |
-8.17 |
-1.11 |
0 |
|
|
324984 |
126679060 |
1 |
ON4H34C56 |
AB4C34D56 |
250.96 |
5.83 |
-7.88 |
-1.2 |
0 |
|
|
324985 |
126679066 |
1 |
ON4H28C48 |
AB4C28D48 |
229.72 |
4.39 |
-7.91 |
-1.07 |
0 |
|
|
324986 |
126679071 |
1 |
BrClNOH3C6 |
ABCDE3F6 |
42.92 |
2.31 |
-9.62 |
-1.85 |
0 |
|
|
324987 |
126679081 |
1 |
ON4H34C52 |
AB4C34D52 |
223.21 |
3.77 |
-7.93 |
-0.66 |
0 |
|
|
324988 |
126679088 |
1 |
ON5H41C57 |
AB5C41D57 |
246.79 |
4.81 |
-7.9 |
-0.55 |
0 |
|
|
324989 |
126679089 |
1 |
ON5H39C57 |
AB5C39D57 |
246.72 |
4.11 |
-8.02 |
-0.75 |
0 |
|
|
324990 |
126679091 |
1 |
ON4H32C54 |
AB4C32D54 |
245.62 |
2.64 |
-7.99 |
-1.14 |
0 |
|
|
324991 |
126679096 |
1 |
ON2H22C36 |
AB2C22D36 |
139.57 |
0.96 |
-7.78 |
-0.78 |
0 |
|
|
324992 |
126679105 |
1 |
ON3H27C49 |
AB3C27D49 |
217.7 |
3.56 |
-8.08 |
-1.32 |
0 |
|
|
324993 |
126679109 |
1 |
ON2H22C36 |
AB2C22D36 |
150.49 |
4.31 |
-7.96 |
-0.68 |
0 |
|
|
324994 |
126679116 |
1 |
ON4H32C54 |
AB4C32D54 |
246.25 |
4.13 |
-8.01 |
-1.15 |
0 |
|
|
324995 |
126679119 |
1 |
ON4H32C54 |
AB4C32D54 |
255.15 |
3.94 |
-8.15 |
-1.2 |
0 |
|
|
324996 |
126679121 |
1 |
ON2H22C36 |
AB2C22D36 |
140.28 |
1.75 |
-7.88 |
-0.77 |
0 |