List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
371792 |
131271677 |
1 |
NO3C11H11 |
AB3C11D11 |
-90.89 |
8.07 |
-9.37 |
-1.05 |
0 |
|
|
371793 |
131271679 |
1 |
BrNO3H8C10 |
ABC3D8E10 |
-67.82 |
3.9 |
-10.51 |
-1.59 |
0 |
|
|
371794 |
131271681 |
1 |
BrNO3H8C10 |
ABC3D8E10 |
-69.72 |
0.79 |
-10.35 |
-1.56 |
0 |
|
|
371795 |
131271685 |
1 |
BrNO3H8C10 |
ABC3D8E10 |
-68.75 |
5.73 |
-10.26 |
-1.42 |
0 |
|
|
371796 |
131271686 |
1 |
BrNO3H8C10 |
ABC3D8E10 |
-69.14 |
2.72 |
-10.26 |
-1.64 |
0 |
|
|
371797 |
131271691 |
1 |
BrNSF2H6C11 |
ABCD2E6F11 |
-35.98 |
2.15 |
-9.24 |
-1.33 |
0 |
|
|
371798 |
131271692 |
1 |
BrNSF2H6C11 |
ABCD2E6F11 |
-36.51 |
2.7 |
-9.21 |
-1.38 |
0 |
|
|
371799 |
131271701 |
1 |
BrNO3H8C10 |
ABC3D8E10 |
-67.97 |
4.97 |
-10.32 |
-1.53 |
0 |
|
|
371800 |
131271702 |
1 |
BrNO3H8C10 |
ABC3D8E10 |
-70.11 |
5.44 |
-10.54 |
-1.63 |
0 |
|
|
371801 |
131271703 |
1 |
ClO2N3C8H10 |
AB2C3D8E10 |
-34.26 |
8.78 |
-9.28 |
-1.52 |
0 |
|
|
371802 |
131271705 |
1 |
ISO3H7C11 |
ABC3D7E11 |
-58.63 |
5.49 |
-9.23 |
-1.64 |
0 |
|
|
371803 |
131271716 |
1 |
BrFNOC11H15 |
ABCDE11F15 |
-85.58 |
2.41 |
-9.41 |
-0.69 |
0 |
|
|
371804 |
131271729 |
1 |
FIO3H6C8 |
ABC3D6E8 |
-140.4 |
0.53 |
-9.47 |
-1.24 |
0 |
|
|
371805 |
131271733 |
1 |
FIO3H6C8 |
ABC3D6E8 |
-135.83 |
1.98 |
-9.81 |
-1.48 |
0 |
|
|
371806 |
131271739 |
1 |
NO3C9H15 |
AB3C9D15 |
-130.5 |
6.78 |
-9.01 |
0.13 |
0 |
|
|
371807 |
131271741 |
1 |
O2C11H14 |
A2B11C14 |
-58.5 |
6.56 |
-9.62 |
-0.76 |
0 |
|
|
371808 |
131271777 |
1 |
Br2O3H6C8 |
A2B3C6D8 |
-101.4 |
3.96 |
-9.59 |
-0.88 |
0 |
|
|
371809 |
131271853 |
1 |
BrClINO3H4C8 |
ABCDE3F4G8 |
2.85 |
3.27 |
-10.3 |
-2.17 |
0 |
|
|
371810 |
131272069 |
1 |
ON2C11H14 |
AB2C11D14 |
-3.01 |
4.95 |
-8.29 |
0.11 |
0 |
|
|
371811 |
131272079 |
1 |
NSO2C8H11 |
ABC2D8E11 |
-71.87 |
2.13 |
-9.17 |
0.1 |
0 |
|
|
371812 |
131272115 |
1 |
ClIO3H6C8 |
ABC3D6E8 |
-90.49 |
3.46 |
-9.36 |
-1.32 |
0 |
|
|
371813 |
131272418 |
1 |
ClN2O2S2H7C8 |
AB2C2D2E7F8 |
-26.05 |
5.82 |
-9.54 |
-1.72 |
0 |
|
|
371814 |
131272457 |
1 |
O2N3C8H9 |
A2B3C8D9 |
-65.14 |
5.0 |
-10.21 |
-0.88 |
0 |
|
|
371815 |
131272638 |
1 |
ISO3H5C10 |
ABC3D5E10 |
-48.89 |
4.1 |
-9.66 |
-1.99 |
0 |
|
|
371816 |
131272728 |
1 |
NC14H21 |
AB14C21 |
-9.55 |
1.81 |
-8.9 |
0.35 |
0 |
|
|
371817 |
131272781 |
1 |
ISO3H7C11 |
ABC3D7E11 |
-49.9 |
2.45 |
-9.3 |
-1.74 |
0 |
|
|
371818 |
131272909 |
2 |
NOC6H7 |
ABC6D7 |
-29.68 |
2.59 |
-8.47 |
-0.24 |
0 |
|
|
371819 |
131273201 |
1 |
BrClNO2H9C11 |
ABCD2E9F11 |
-45.03 |
4.53 |
-10.24 |
-1.73 |
0 |
|
|
371820 |
131273412 |
1 |
SO2N3C9H11 |
AB2C3D9E11 |
36.94 |
3.17 |
-8.72 |
-1.38 |
0 |
|
|
371821 |
131273438 |
1 |
ClFNO3C9H9 |
ABCD3E9F9 |
-157.77 |
3.0 |
-9.76 |
-0.91 |
0 |
|
|
371822 |
131273531 |
1 |
N2O2C11H16 |
A2B2C11D16 |
-49.48 |
2.96 |
-9.2 |
-0.33 |
0 |
|
|
371823 |
131273595 |
1 |
SO3H10C12 |
AB3C10D12 |
-79.38 |
2.51 |
-9.15 |
-1.39 |
0 |
|
|
371824 |
131273739 |
1 |
NSO2H7C11 |
ABC2D7E11 |
3.38 |
6.29 |
-9.0 |
-1.48 |
0 |
|
|
371825 |
131273740 |
1 |
NSO2H7C11 |
ABC2D7E11 |
-2.51 |
4.28 |
-9.1 |
-1.33 |
0 |
|
|
371826 |
131273741 |
1 |
ClON2C11H13 |
ABC2D11E13 |
-19.35 |
2.12 |
-8.56 |
-0.34 |
0 |
|
|
371827 |
131273742 |
1 |
ClON2C11H13 |
ABC2D11E13 |
-17.87 |
6.81 |
-8.54 |
-0.45 |
0 |
|
|
371828 |
131273743 |
1 |
ClON2C11H13 |
ABC2D11E13 |
-19.12 |
3.67 |
-8.53 |
-0.33 |
0 |
|
|
371829 |
131273859 |
1 |
FNOSH10C12 |
ABCDE10F12 |
-49.47 |
0.92 |
-8.58 |
-0.59 |
0 |
|
|
371830 |
131273907 |
1 |
SO2N4H6C8 |
AB2C4D6E8 |
16.25 |
1.87 |
-10.14 |
-2.52 |
0 |
|
|
371831 |
131273909 |
1 |
SO2N4H6C8 |
AB2C4D6E8 |
8.24 |
2.91 |
-9.88 |
-2.19 |
0 |
|
|
371832 |
131273910 |
1 |
FON4C10H11 |
ABC4D10E11 |
-6.06 |
4.26 |
-9.19 |
-0.35 |
0 |
|
|
371833 |
131274084 |
1 |
Cl2O2F3H5C9 |
A2B2C3D5E9 |
-228.76 |
4.35 |
-9.93 |
-1.41 |
0 |
|
|
371834 |
131274088 |
1 |
FN2C8H13 |
AB2C8D13 |
-40.19 |
2.78 |
-9.31 |
1.13 |
0 |
|
|
371835 |
131274224 |
1 |
NF2O2C11H13 |
AB2C2D11E13 |
-158.27 |
2.55 |
-9.01 |
-0.26 |
0 |
|
|
371836 |
131274307 |
1 |
NOF2C11H13 |
ABC2D11E13 |
-122.99 |
3.75 |
-9.16 |
-0.27 |
0 |
|
|
371837 |
131274359 |
1 |
ON2C12H14 |
AB2C12D14 |
7.32 |
3.88 |
-9.35 |
-0.45 |
0 |
|
|
371838 |
131274395 |
1 |
ClOBr2H7C8 |
ABC2D7E8 |
-25.21 |
3.53 |
-9.25 |
-0.96 |
0 |
|
|
371839 |
131274450 |
1 |
ClOBr2H7C8 |
ABC2D7E8 |
-20.7 |
0.86 |
-9.54 |
-0.98 |
0 |
|
|
371840 |
131274484 |
1 |
BrN2O4H7C8 |
AB2C4D7E8 |
-75.88 |
3.67 |
-9.39 |
-1.95 |
0 |
|
|
371841 |
131274555 |
1 |
FN2H7C8 |
AB2C7D8 |
5.54 |
3.03 |
-9.05 |
-0.23 |
0 |
|
|
371842 |
131274556 |
1 |
FN2H7C8 |
AB2C7D8 |
0.16 |
3.6 |
-9.04 |
-0.77 |
0 |
|
|
371843 |
131274680 |
1 |
FN2C7H11 |
AB2C7D11 |
-26.73 |
5.76 |
-9.34 |
1.57 |
0 |
|
|
371844 |
131274717 |
1 |
N3C10H17 |
A3B10C17 |
9.51 |
1.25 |
-8.27 |
1.22 |
0 |
|
|
371845 |
131274750 |
2 |
NOC6H7 |
ABC6D7 |
-63.76 |
4.57 |
-8.24 |
-0.28 |
0 |
|
|
371846 |
131274921 |
1 |
BrClNC9H9 |
ABCD9E9 |
11.64 |
4.2 |
-8.49 |
-0.25 |
0 |
|
|
371847 |
131274984 |
1 |
N2C11H20 |
A2B11C20 |
-9.94 |
4.15 |
-9.3 |
1.48 |
0 |
|
|
371848 |
131275083 |
1 |
NC10H19 |
AB10C19 |
-19.62 |
1.78 |
-8.8 |
1.44 |
0 |
|
|
371849 |
131275316 |
1 |
NO4H7C10 |
AB4C7D10 |
-59.38 |
4.86 |
-10.06 |
-1.12 |
0 |
|
|
371850 |
131275377 |
1 |
NO2C11H13 |
AB2C11D13 |
-47.4 |
7.52 |
-9.48 |
-0.58 |
0 |
|
|
371851 |
131275419 |
1 |
ClO3C10H11 |
AB3C10D11 |
-138.75 |
2.23 |
-9.59 |
-0.85 |
0 |
|
|
371852 |
131275599 |
1 |
ClOSH9C10 |
ABCD9E10 |
-33.85 |
3.17 |
-8.74 |
-0.43 |
0 |
|
|
371853 |
131275669 |
1 |
FN2O2C11H13 |
AB2C2D11E13 |
-96.82 |
3.2 |
-9.63 |
-1.03 |
0 |
|
|
371854 |
131275768 |
3 |
NOC3H3 |
ABC3D3 |
-0.9 |
6.18 |
-9.24 |
-1.04 |
0 |
|
|
371855 |
131275772 |
1 |
O2N4C9H16 |
A2B4C9D16 |
-48.24 |
2.54 |
-9.55 |
-0.17 |
0 |
|
|
371856 |
131275778 |
1 |
BrClON2F3H5C7 |
ABCD2E3F5G7 |
-182.12 |
2.98 |
-9.29 |
-1.03 |
0 |
|
|
371857 |
131275787 |
1 |
ClN2O2C11H11 |
AB2C2D11E11 |
-20.08 |
2.14 |
-9.54 |
-0.56 |
0 |
|
|
371858 |
131275862 |
1 |
ON2F4C8H8 |
AB2C4D8E8 |
-232.72 |
4.97 |
-8.95 |
-0.7 |
0 |
|
|
371859 |
131275918 |
1 |
ON2C11H12 |
AB2C11D12 |
12.7 |
2.53 |
-8.7 |
0.0 |
0 |
|
|
371860 |
131276025 |
1 |
FOSN2C11H11 |
ABCD2E11F11 |
-34.49 |
2.5 |
-9.46 |
-0.81 |
0 |
|
|
371861 |
131276069 |
1 |
BrNOSH4C6 |
ABCDE4F6 |
16.58 |
2.1 |
-9.88 |
-1.6 |
0 |
|
|
371862 |
131276070 |
1 |
BrOF2N2H7C9 |
ABC2D2E7F9 |
-81.78 |
1.4 |
-9.68 |
-1.03 |
0 |
|
|
371863 |
131276071 |
1 |
NO2C13H19 |
AB2C13D19 |
-89.68 |
3.76 |
-9.06 |
-0.07 |
0 |
|
|
371864 |
131276092 |
1 |
BrIO2H6C8 |
ABC2D6E8 |
-20.74 |
5.17 |
-9.28 |
-1.24 |
0 |
|
|
371865 |
131276124 |
1 |
N2O2C11H14 |
A2B2C11D14 |
-26.46 |
4.52 |
-10.44 |
-0.38 |
0 |
|
|
371866 |
131276145 |
1 |
NOF2H7C8 |
ABC2D7E8 |
-103.69 |
1.57 |
-10.14 |
-1.2 |
0 |
|
|
371867 |
131276160 |
1 |
ON2C13H18 |
AB2C13D18 |
-25.93 |
5.66 |
-8.79 |
-0.03 |
0 |
|
|
371868 |
131276263 |
1 |
FNOH6C11 |
ABCD6E11 |
-16.56 |
5.57 |
-9.19 |
-1.34 |
0 |
|
|
371869 |
131276308 |
1 |
BrClFOH5C9 |
ABCDE5F9 |
-43.78 |
2.24 |
-10.04 |
-1.1 |
0 |
|
|
371870 |
131276421 |
1 |
ClN2S2O3C8H13 |
AB2C2D3E8F13 |
-95.96 |
4.89 |
-9.35 |
-0.52 |
0 |
|
|
371871 |
131276493 |
2 |
NOH4C6 |
ABC4D6 |
49.47 |
6.6 |
-9.97 |
-1.54 |
0 |
|
|
371872 |
131276574 |
1 |
ClN2O2F3H6C8 |
AB2C2D3E6F8 |
-206.35 |
5.76 |
-9.55 |
-1.61 |
0 |
|
|
371873 |
131276598 |
1 |
BrON3C7H8 |
ABC3D7E8 |
-2.94 |
2.15 |
-10.1 |
-1.2 |
0 |
|
|
371874 |
131276599 |
1 |
BrNSO2C8H10 |
ABCD2E8F10 |
-72.17 |
6.7 |
-9.78 |
-0.78 |
0 |
|
|
371875 |
131276600 |
1 |
BrFN2C12H16 |
ABC2D12E16 |
-27.73 |
2.41 |
-8.48 |
-0.68 |
0 |
|
|
371876 |
131276645 |
1 |
FO3C11H13 |
AB3C11D13 |
-175.12 |
1.84 |
-9.29 |
-0.2 |
0 |
|
|
371877 |
131276712 |
1 |
BrINOH5C6 |
ABCDE5F6 |
-13.14 |
1.69 |
-8.77 |
-1.01 |
0 |
|
|
371878 |
131276797 |
1 |
ClNSF2O3H4C9 |
ABCD2E3F4G9 |
-148.12 |
1.83 |
-11.15 |
-2.51 |
0 |
|
|
371879 |
131276815 |
1 |
ClN2O2C10H13 |
AB2C2D10E13 |
-74.61 |
3.8 |
-9.88 |
-1.45 |
0 |
|
|
371880 |
131276854 |
1 |
N3C13H15 |
A3B13C15 |
60.33 |
2.98 |
-9.4 |
-0.36 |
0 |
|
|
371881 |
131276910 |
1 |
NO4C11H15 |
AB4C11D15 |
-164.0 |
4.41 |
-8.76 |
-0.1 |
0 |
|
|
371882 |
131276911 |
1 |
ON2C13H20 |
AB2C13D20 |
-36.07 |
4.6 |
-8.92 |
0.08 |
0 |
|
|
371883 |
131276925 |
1 |
OF3C12H13 |
AB3C12D13 |
-203.4 |
3.36 |
-9.97 |
-0.73 |
0 |
|
|
371884 |
131277179 |
2 |
ON2C5H5 |
AB2C5D5 |
-6.7 |
3.57 |
-9.27 |
-0.6 |
0 |
|
|
371885 |
131277233 |
1 |
ClNO2C10H10 |
ABC2D10E10 |
-45.69 |
3.51 |
-9.38 |
-0.47 |
0 |
|
|
371886 |
131277327 |
1 |
NSO3C11H15 |
ABC3D11E15 |
-112.18 |
6.16 |
-9.38 |
0.1 |
0 |
|
|
371887 |
131277390 |
1 |
ON2C12H16 |
AB2C12D16 |
-10.42 |
3.57 |
-9.76 |
-0.51 |
0 |
|
|
371888 |
131277421 |
1 |
SN3C6H7 |
AB3C6D7 |
64.93 |
3.92 |
-9.75 |
-1.56 |
0 |
|
|
371889 |
131277422 |
1 |
SN3C6H7 |
AB3C6D7 |
64.37 |
3.57 |
-10.01 |
-1.58 |
0 |
|
|
371890 |
131277529 |
1 |
FN2O2H7C11 |
AB2C2D7E11 |
6.79 |
2.16 |
-8.9 |
-2.05 |
0 |
|
|
371891 |
131277641 |
1 |
NOC8H15 |
ABC8D15 |
-47.14 |
2.46 |
-9.48 |
0.94 |
0 |