List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
372992 |
131308238 |
1 |
O2N4C9H10 |
A2B4C9D10 |
44.93 |
2.23 |
-10.49 |
-1.86 |
0 |
|
|
372993 |
131308342 |
1 |
BrClOC10H12 |
ABCD10E12 |
-52.35 |
3.64 |
-9.32 |
-0.31 |
0 |
|
|
372994 |
131308389 |
1 |
NOCl2H9C11 |
ABC2D9E11 |
-24.42 |
3.53 |
-8.76 |
-0.73 |
0 |
|
|
372995 |
131308390 |
1 |
SN2C8H8 |
AB2C8D8 |
56.92 |
3.41 |
-8.41 |
-0.34 |
0 |
|
|
372996 |
131308400 |
1 |
ClN2O3C9H9 |
AB2C3D9E9 |
-33.88 |
2.95 |
-9.64 |
-1.7 |
0 |
|
|
372997 |
131308417 |
1 |
OSN2C11H14 |
ABC2D11E14 |
-7.7 |
2.38 |
-8.56 |
-0.46 |
0 |
|
|
372998 |
131308422 |
1 |
INO2F3H7C9 |
ABC2D3E7F9 |
-200.42 |
4.28 |
-9.79 |
-1.53 |
0 |
|
|
372999 |
131308444 |
1 |
SN3O3H7C9 |
AB3C3D7E9 |
3.96 |
4.12 |
-9.21 |
-1.36 |
0 |
|
|
373000 |
131308455 |
1 |
INO2C10H12 |
ABC2D10E12 |
-42.26 |
5.15 |
-8.44 |
-0.73 |
0 |
|
|
373001 |
131308466 |
1 |
NSO3C11H11 |
ABC3D11E11 |
-83.15 |
6.28 |
-8.97 |
-1.02 |
0 |
|
|
373002 |
131308475 |
1 |
NO2C12H17 |
AB2C12D17 |
-86.24 |
1.37 |
-9.3 |
0.02 |
0 |
|
|
373003 |
131308476 |
1 |
FNO2C11H14 |
ABC2D11E14 |
-114.92 |
4.83 |
-9.01 |
-0.34 |
0 |
|
|
373004 |
131308492 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-83.37 |
4.19 |
-8.78 |
-1.09 |
0 |
|
|
373005 |
131308512 |
1 |
ISO3H5C10 |
ABC3D5E10 |
-52.32 |
7.25 |
-9.5 |
-2.13 |
0 |
|
|
373006 |
131308530 |
1 |
ON2C12H12 |
AB2C12D12 |
29.05 |
3.67 |
-9.24 |
-0.51 |
0 |
|
|
373007 |
131308546 |
1 |
ON2C12H12 |
AB2C12D12 |
24.79 |
6.14 |
-8.6 |
-0.81 |
0 |
|
|
373008 |
131308560 |
1 |
ON3C7H9 |
AB3C7D9 |
34.74 |
6.2 |
-9.5 |
-0.02 |
0 |
|
|
373009 |
131308564 |
1 |
ON3C7H9 |
AB3C7D9 |
26.58 |
8.43 |
-9.41 |
-0.2 |
0 |
|
|
373010 |
131308570 |
1 |
BrN3C12H16 |
AB3C12D16 |
49.42 |
3.37 |
-8.99 |
-0.52 |
0 |
|
|
373011 |
131308571 |
1 |
ON3C12H19 |
AB3C12D19 |
-11.38 |
2.35 |
-8.71 |
-0.02 |
0 |
|
|
373012 |
131308574 |
1 |
INOC12H16 |
ABCD12E16 |
-7.58 |
1.86 |
-8.71 |
-0.92 |
0 |
|
|
373013 |
131308579 |
1 |
ON2C13H20 |
AB2C13D20 |
-30.39 |
3.47 |
-8.45 |
0.28 |
0 |
|
|
373014 |
131308582 |
1 |
BrOC8H9 |
ABC8D9 |
-12.31 |
3.93 |
-9.24 |
-0.28 |
0 |
|
|
373015 |
131308584 |
1 |
FNO5H8C9 |
ABC5D8E9 |
-161.26 |
4.87 |
-10.54 |
-1.97 |
0 |
|
|
373016 |
131308640 |
1 |
ClNOSC11H12 |
ABCDE11F12 |
-24.02 |
3.78 |
-8.02 |
-0.72 |
0 |
|
|
373017 |
131308643 |
1 |
ClNOSC11H12 |
ABCDE11F12 |
-26.52 |
4.93 |
-7.97 |
-0.53 |
0 |
|
|
373018 |
131308690 |
1 |
FIO2H8C9 |
ABC2D8E9 |
-80.99 |
2.33 |
-9.32 |
-1.38 |
0 |
|
|
373019 |
131308693 |
1 |
FIO2H8C9 |
ABC2D8E9 |
-84.75 |
4.29 |
-9.42 |
-1.32 |
0 |
|
|
373020 |
131308729 |
1 |
ON2C13H18 |
AB2C13D18 |
-15.83 |
1.76 |
-8.11 |
0.23 |
0 |
|
|
373021 |
131308730 |
1 |
ON2C13H18 |
AB2C13D18 |
-17.48 |
1.86 |
-8.13 |
0.23 |
0 |
|
|
373022 |
131308743 |
1 |
SO3C11H14 |
AB3C11D14 |
-121.1 |
3.79 |
-9.02 |
-0.38 |
0 |
|
|
373023 |
131308747 |
1 |
BrNH2O2F4C7 |
ABC2D2E4F7 |
-235.91 |
0.82 |
-10.56 |
-2.1 |
0 |
|
|
373024 |
131308750 |
1 |
BrNH2O2F4C7 |
ABC2D2E4F7 |
-226.23 |
2.29 |
-10.5 |
-1.82 |
0 |
|
|
373025 |
131308755 |
1 |
ClN2O2F3H6C7 |
AB2C2D3E6F7 |
-221.46 |
5.8 |
-9.23 |
-0.64 |
0 |
|
|
373026 |
131308757 |
1 |
ClN2O2F3H6C7 |
AB2C2D3E6F7 |
-224.12 |
6.71 |
-8.94 |
-0.39 |
0 |
|
|
373027 |
131308760 |
1 |
ClN2O2F3H6C7 |
AB2C2D3E6F7 |
-216.7 |
5.8 |
-8.84 |
-0.86 |
0 |
|
|
373028 |
131308765 |
1 |
ClN2O2F3H6C7 |
AB2C2D3E6F7 |
-211.05 |
8.12 |
-8.9 |
-0.75 |
0 |
|
|
373029 |
131308794 |
1 |
NO3C7H11 |
AB3C7D11 |
-70.41 |
5.61 |
-10.47 |
-0.63 |
0 |
|
|
373030 |
131308813 |
1 |
FNO2C12H14 |
ABC2D12E14 |
-88.08 |
4.21 |
-8.68 |
-0.32 |
0 |
|
|
373031 |
131308816 |
1 |
SN2C13H16 |
AB2C13D16 |
39.32 |
3.76 |
-8.91 |
-0.43 |
0 |
|
|
373032 |
131308819 |
1 |
SN2C13H16 |
AB2C13D16 |
41.23 |
3.42 |
-8.77 |
-0.39 |
0 |
|
|
373033 |
131308825 |
1 |
BrN2O3C10H11 |
AB2C3D10E11 |
-86.2 |
3.05 |
-9.79 |
-1.22 |
0 |
|
|
373034 |
131308846 |
1 |
NOC10H19 |
ABC10D19 |
-53.3 |
4.09 |
-8.7 |
1.13 |
0 |
|
|
373035 |
131308875 |
1 |
NO2F3H8C9 |
AB2C3D8E9 |
-229.92 |
2.19 |
-8.92 |
-0.94 |
0 |
|
|
373036 |
131308885 |
1 |
NO2F3H8C9 |
AB2C3D8E9 |
-227.38 |
5.97 |
-9.31 |
-0.56 |
0 |
|
|
373037 |
131308916 |
1 |
FNO2H6C7 |
ABC2D6E7 |
-83.45 |
3.3 |
-10.44 |
-1.19 |
0 |
|
|
373038 |
131308917 |
1 |
ON2C10H14 |
AB2C10D14 |
-5.12 |
4.42 |
-8.82 |
-0.39 |
0 |
|
|
373039 |
131308950 |
1 |
ON3C12H15 |
AB3C12D15 |
17.79 |
7.76 |
-7.8 |
-0.7 |
0 |
|
|
373040 |
131308963 |
1 |
NO2C12H13 |
AB2C12D13 |
-38.34 |
5.4 |
-9.88 |
-1.03 |
0 |
|
|
373041 |
131308964 |
1 |
NO2C12H13 |
AB2C12D13 |
-43.74 |
5.77 |
-9.42 |
-0.7 |
0 |
|
|
373042 |
131308983 |
1 |
ON3C12H15 |
AB3C12D15 |
57.58 |
2.89 |
-9.81 |
-0.55 |
0 |
|
|
373043 |
131309006 |
1 |
ClO2C8H11 |
AB2C8D11 |
-81.61 |
2.48 |
-9.74 |
-0.64 |
0 |
|
|
373044 |
131309023 |
1 |
BrO2N4H7C9 |
AB2C4D7E9 |
13.62 |
5.03 |
-10.23 |
-1.74 |
0 |
|
|
373045 |
131309024 |
1 |
BrO2N4H7C9 |
AB2C4D7E9 |
23.02 |
4.88 |
-10.08 |
-1.82 |
0 |
|
|
373046 |
131309059 |
1 |
BrON2H7C11 |
ABC2D7E11 |
79.29 |
6.56 |
-9.94 |
-1.14 |
0 |
|
|
373047 |
131309064 |
1 |
BrON2H7C11 |
ABC2D7E11 |
44.37 |
8.47 |
-8.89 |
-1.27 |
0 |
|
|
373048 |
131309076 |
1 |
BrON2H7C11 |
ABC2D7E11 |
78.96 |
2.14 |
-9.8 |
-1.28 |
0 |
|
|
373049 |
131309085 |
1 |
OSN2C12H14 |
ABC2D12E14 |
8.63 |
3.72 |
-8.33 |
-0.28 |
0 |
|
|
373050 |
131309123 |
1 |
BrClNOH11C12 |
ABCDE11F12 |
-5.07 |
4.77 |
-10.27 |
-0.91 |
0 |
|
|
373051 |
131309132 |
1 |
SN3O3C9H9 |
AB3C3D9E9 |
-61.6 |
7.06 |
-9.69 |
-1.69 |
0 |
|
|
373052 |
131309151 |
1 |
FNOC12H12 |
ABCD12E12 |
-45.23 |
4.26 |
-9.28 |
-0.38 |
0 |
|
|
373053 |
131309177 |
1 |
ClNOF3C10H11 |
ABCD3E10F11 |
-192.83 |
4.06 |
-9.66 |
-0.64 |
0 |
|
|
373054 |
131309189 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-83.9 |
5.65 |
-8.96 |
-1.2 |
0 |
|
|
373055 |
131309203 |
1 |
ClNO4C10H10 |
ABC4D10E10 |
-151.59 |
7.92 |
-9.19 |
-0.7 |
0 |
|
|
373056 |
131309210 |
1 |
BrN2O3H7C10 |
AB2C3D7E10 |
-70.88 |
3.93 |
-9.54 |
-1.54 |
0 |
|
|
373057 |
131309229 |
1 |
FSN2C12H15 |
ABC2D12E15 |
-27.79 |
2.41 |
-9.17 |
-0.84 |
0 |
|
|
373058 |
131309257 |
1 |
SO3H10C11 |
AB3C10D11 |
-103.57 |
3.35 |
-8.78 |
-0.9 |
0 |
|
|
373059 |
131309265 |
1 |
NO3C11H15 |
AB3C11D15 |
-111.61 |
3.12 |
-9.0 |
-0.01 |
0 |
|
|
373060 |
131309276 |
1 |
BrNOH10C11 |
ABCD10E11 |
5.65 |
4.08 |
-9.18 |
-0.34 |
0 |
|
|
373061 |
131309282 |
1 |
SF3N3C9H12 |
AB3C3D9E12 |
-146.21 |
1.97 |
-8.8 |
-0.17 |
0 |
|
|
373062 |
131309286 |
1 |
BrF2O3H7C9 |
AB2C3D7E9 |
-186.35 |
1.97 |
-9.19 |
-0.73 |
0 |
|
|
373063 |
131309291 |
1 |
BrN2O2H9C10 |
AB2C2D9E10 |
-30.45 |
5.75 |
-10.22 |
-1.38 |
0 |
|
|
373064 |
131309346 |
1 |
BrNSO3H6C10 |
ABCD3E6F10 |
9.14 |
2.89 |
-9.77 |
-1.96 |
0 |
|
|
373065 |
131309369 |
1 |
SO2N3C6H13 |
AB2C3D6E13 |
-75.24 |
4.62 |
-9.32 |
-0.05 |
0 |
|
|
373066 |
131309377 |
1 |
SO3H10C11 |
AB3C10D11 |
-106.0 |
4.61 |
-9.0 |
-1.15 |
0 |
|
|
373067 |
131309380 |
1 |
SO3H10C11 |
AB3C10D11 |
-103.9 |
5.95 |
-9.03 |
-1.09 |
0 |
|
|
373068 |
131309383 |
4 |
NC3H3 |
AB3C3 |
90.11 |
1.69 |
-9.65 |
-0.65 |
0 |
|
|
373069 |
131309386 |
4 |
NC3H3 |
AB3C3 |
92.54 |
2.4 |
-8.66 |
-0.26 |
0 |
|
|
373070 |
131309418 |
1 |
BrNSO3H6C10 |
ABCD3E6F10 |
11.47 |
4.35 |
-9.48 |
-2.37 |
0 |
|
|
373071 |
131309428 |
1 |
SO4H8C10 |
AB4C8D10 |
-142.02 |
4.52 |
-8.98 |
-1.19 |
0 |
|
|
373072 |
131309429 |
1 |
SO4H8C10 |
AB4C8D10 |
-132.16 |
4.37 |
-8.72 |
-0.74 |
0 |
|
|
373073 |
131309463 |
1 |
ClSO3H7C10 |
ABC3D7E10 |
-104.3 |
5.65 |
-9.16 |
-1.2 |
0 |
|
|
373074 |
131309469 |
1 |
ClSO3H7C10 |
ABC3D7E10 |
-99.05 |
4.41 |
-9.1 |
-1.34 |
0 |
|
|
373075 |
131309480 |
1 |
NOCl2H9C11 |
ABC2D9E11 |
-19.51 |
6.4 |
-8.45 |
-0.42 |
0 |
|
|
373076 |
131309483 |
1 |
SN2C8H8 |
AB2C8D8 |
50.62 |
2.78 |
-7.99 |
-0.01 |
0 |
|
|
373077 |
131309503 |
1 |
NO4C9H9 |
AB4C9D9 |
-52.57 |
7.54 |
-9.69 |
-1.6 |
0 |
|
|
373078 |
131309515 |
1 |
FO2H7C9 |
AB2C7D9 |
-84.27 |
4.44 |
-10.01 |
-1.36 |
0 |
|
|
373079 |
131309519 |
1 |
IO2F3H8C10 |
AB2C3D8E10 |
-203.43 |
5.08 |
-9.86 |
-1.57 |
0 |
|
|
373080 |
131309536 |
1 |
SO3H10C11 |
AB3C10D11 |
-69.64 |
0.97 |
-8.68 |
-1.14 |
0 |
|
|
373081 |
131309560 |
1 |
N2C11H12 |
A2B11C12 |
40.67 |
3.71 |
-8.37 |
0.2 |
0 |
|
|
373082 |
131309595 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-90.26 |
1.5 |
-8.92 |
-1.11 |
0 |
|
|
373083 |
131309616 |
1 |
BrSO2C11H11 |
ABC2D11E11 |
-34.2 |
4.27 |
-8.08 |
-0.64 |
0 |
|
|
373084 |
131309617 |
1 |
BrSO2C11H11 |
ABC2D11E11 |
-38.6 |
3.92 |
-8.4 |
-0.44 |
0 |
|
|
373085 |
131309642 |
1 |
FSO2H9C11 |
ABC2D9E11 |
-75.78 |
6.28 |
-8.63 |
-1.13 |
0 |
|
|
373086 |
131309648 |
1 |
FSO2H9C11 |
ABC2D9E11 |
-74.27 |
1.14 |
-8.74 |
-1.2 |
0 |
|
|
373087 |
131309655 |
1 |
FSO2H9C11 |
ABC2D9E11 |
-79.37 |
2.66 |
-8.8 |
-1.06 |
0 |
|
|
373088 |
131309679 |
1 |
BrON2C11H11 |
ABC2D11E11 |
-3.39 |
2.86 |
-9.11 |
-0.55 |
0 |
|
|
373089 |
131309727 |
1 |
NOBr2H5C8 |
ABC2D5E8 |
11.47 |
4.49 |
-9.84 |
-1.0 |
0 |
|
|
373090 |
131309728 |
1 |
NOBr2H5C8 |
ABC2D5E8 |
9.36 |
4.44 |
-9.75 |
-0.98 |
0 |
|
|
373091 |
131309734 |
1 |
N2C9H16 |
A2B9C16 |
4.8 |
2.59 |
-9.2 |
1.31 |
0 |