List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
125834 |
50940996 |
1 |
FOC14H17 |
ABC14D17 |
-70.65 |
1.77 |
-9.51 |
-0.24 |
0 |
|
|
125835 |
50941004 |
1 |
ON3H23C24 |
AB3C23D24 |
61.66 |
3.81 |
-9.38 |
-1.25 |
0 |
|
|
125836 |
50941015 |
3 |
NC5H7 |
AB5C7 |
31.06 |
3.96 |
-8.73 |
-0.07 |
0 |
|
|
125837 |
50941055 |
1 |
ClN3C23H36 |
AB3C23D36 |
-13.68 |
3.5 |
-8.9 |
-0.43 |
0 |
|
|
125838 |
50941056 |
1 |
N3C19H21 |
A3B19C21 |
64.09 |
4.07 |
-8.54 |
-0.34 |
0 |
|
|
125839 |
50941057 |
1 |
N3C20H23 |
A3B20C23 |
59.47 |
4.65 |
-8.54 |
-0.36 |
0 |
|
|
125841 |
50941148 |
1 |
SSiO3C14H22 |
ABC3D14E22 |
-156.92 |
2.96 |
-8.77 |
-0.5 |
0 |
|
|
125842 |
50941221 |
1 |
ClO3H17C18 |
AB3C17D18 |
-79.73 |
3.66 |
-9.39 |
-0.5 |
0 |
|
|
125843 |
50941224 |
1 |
O3C8H14 |
A3B8C14 |
-143.28 |
0.59 |
-9.78 |
0.24 |
0 |
|
|
125844 |
50941293 |
1 |
ClN2O2H11C15 |
AB2C2D11E15 |
-22.94 |
1.86 |
-9.57 |
-1.56 |
0 |
|
|
125845 |
50941294 |
1 |
ClN2O2H9C14 |
AB2C2D9E14 |
-10.47 |
2.53 |
-9.68 |
-1.65 |
0 |
|
|
125846 |
50941312 |
1 |
ON2C10H16 |
AB2C10D16 |
13.19 |
2.86 |
-9.03 |
0.66 |
0 |
|
|
125847 |
50941318 |
1 |
ClNOSC10H22 |
ABCDE10F22 |
-82.83 |
3.07 |
-8.36 |
0.73 |
0 |
|
|
125848 |
50941319 |
1 |
ClNOSC11H24 |
ABCDE11F24 |
-88.83 |
3.18 |
-8.4 |
0.74 |
0 |
|
|
125849 |
50941320 |
1 |
ClNOSC12H26 |
ABCDE12F26 |
-91.17 |
2.83 |
-8.32 |
0.69 |
0 |
|
|
125850 |
50941501 |
1 |
NS2F3O3H6C16 |
AB2C3D3E6F16 |
-204.09 |
4.52 |
-9.8 |
-2.36 |
0 |
|
|
125851 |
50941502 |
1 |
NS4O6H15C19 |
AB4C6D15E19 |
-167.71 |
2.23 |
-8.41 |
-1.81 |
0 |
|
|
125852 |
50941503 |
1 |
NF3S4O6H10C18 |
AB3C4D6E10F18 |
-312.52 |
5.64 |
-8.54 |
-2.06 |
0 |
|
|
125853 |
50941559 |
1 |
O4H14C19 |
A4B14C19 |
-58.58 |
3.89 |
-8.63 |
-1.04 |
0 |
|
|
125854 |
50941560 |
2 |
O2H6C9 |
A2B6C9 |
-52.94 |
8.12 |
-8.9 |
-1.2 |
0 |
|
|
125855 |
50941561 |
1 |
ON4C14H14 |
AB4C14D14 |
58.13 |
2.47 |
-8.48 |
-0.49 |
0 |
|
|
125856 |
50941562 |
1 |
N5O5H23C30 |
A5B5C23D30 |
-39.3 |
4.06 |
-8.78 |
-1.12 |
0 |
|
|
125857 |
50941563 |
1 |
SN2O3H12C15 |
AB2C3D12E15 |
-40.15 |
6.24 |
-8.57 |
-0.84 |
0 |
|
|
125858 |
50941572 |
1 |
SN2O6C31H44 |
AB2C6D31E44 |
-260.52 |
7.3 |
-9.09 |
-0.64 |
0 |
|
|
125859 |
50941573 |
1 |
SN2O8C29H40 |
AB2C8D29E40 |
-322.14 |
7.0 |
-9.02 |
-0.41 |
0 |
|
|
125860 |
50941574 |
1 |
SN2O8C29H40 |
AB2C8D29E40 |
-330.87 |
6.91 |
-9.34 |
-0.54 |
0 |
|
|
125861 |
50941575 |
1 |
FNO5C14H16 |
ABC5D14E16 |
-241.43 |
6.18 |
-9.6 |
-0.12 |
0 |
|
|
125862 |
50941576 |
1 |
FNO6C14H16 |
ABC6D14E16 |
-275.14 |
2.59 |
-9.31 |
-0.42 |
0 |
|
|
125863 |
50941577 |
1 |
ClOSN6C11H13 |
ABCD6E11F13 |
26.08 |
2.67 |
-8.92 |
-1.28 |
0 |
|
|
125864 |
50941578 |
1 |
FOSN6C17H17 |
ABCD6E17F17 |
-0.56 |
3.91 |
-8.78 |
-1.35 |
0 |
|
|
125865 |
50941579 |
1 |
FSN6C15H15 |
ABC6D15E15 |
51.65 |
3.01 |
-8.65 |
-1.32 |
0 |
|
|
125866 |
50941580 |
1 |
ClFSO2N6H20C23 |
ABCD2E6F20G23 |
-8.72 |
2.89 |
-8.74 |
-1.38 |
0 |
|
|
125867 |
50941581 |
1 |
BrClH3C5N5 |
ABC3D5E5 |
63.95 |
3.04 |
-9.19 |
-1.22 |
0 |
|
|
125868 |
50941620 |
1 |
NO3C19H19 |
AB3C19D19 |
-62.48 |
6.36 |
-7.93 |
-1.18 |
0 |
|
|
125869 |
50941621 |
1 |
NO3C19H19 |
AB3C19D19 |
-68.04 |
6.52 |
-8.12 |
-1.22 |
0 |
|
|
125870 |
50941652 |
1 |
ON3C27H29 |
AB3C27D29 |
61.01 |
3.67 |
-8.81 |
-0.17 |
0 |
|
|
125871 |
50941688 |
1 |
NSO4C11H19 |
ABC4D11E19 |
-168.03 |
2.97 |
-9.66 |
-0.02 |
0 |
|
|
125872 |
50941689 |
1 |
NSO4C12H15 |
ABC4D12E15 |
-96.54 |
5.81 |
-9.27 |
-0.43 |
0 |
|
|
125873 |
50941690 |
1 |
N12O20C83H100 |
A12B20C83D100 |
-770.05 |
11.61 |
-8.57 |
-1.26 |
0 |
|
|
125874 |
50941739 |
1 |
ClFON3H7C12 |
ABCD3E7F12 |
11.78 |
8.89 |
-9.95 |
-1.43 |
0 |
|
|
125875 |
50941741 |
1 |
BrClON3H7C12 |
ABCD3E7F12 |
57.94 |
8.55 |
-9.76 |
-1.44 |
0 |
|
|
125876 |
50941767 |
1 |
FS2N4H11C13 |
AB2C4D11E13 |
37.29 |
3.23 |
-8.7 |
-0.88 |
0 |
|
|
125877 |
50941790 |
2 |
NOH17C19 |
ABC17D19 |
64.46 |
12.48 |
-8.67 |
-1.04 |
0 |
|
|
125878 |
50941914 |
1 |
BrN3C22H36 |
AB3C22D36 |
53.19 |
24.08 |
-6.13 |
-2.57 |
1 |
|
|
125879 |
50941915 |
1 |
N3C22H36 |
A3B22C36 |
19.22 |
2.55 |
0.0 |
0.0 |
0 |
|
|
125880 |
50941916 |
1 |
BrN2C11H13 |
AB2C11D13 |
29.35 |
3.75 |
-7.88 |
-0.34 |
1 |
|
|
125881 |
50941917 |
1 |
N2C11H13 |
A2B11C13 |
58.84 |
2.2 |
0.0 |
0.0 |
0 |
|
|
125882 |
50941918 |
1 |
BrN2C12H15 |
AB2C12D15 |
24.36 |
3.22 |
-7.91 |
-0.32 |
0 |
|
|
125883 |
50942052 |
1 |
FSN6H11C18 |
ABC6D11E18 |
126.7 |
3.55 |
-8.59 |
-1.41 |
0 |
|
|
125884 |
50942053 |
1 |
SO2N7C19H23 |
AB2C7D19E23 |
-12.28 |
3.64 |
-8.52 |
-1.09 |
0 |
|
|
125885 |
50942054 |
1 |
SO2N7C19H23 |
AB2C7D19E23 |
-12.04 |
1.99 |
-8.78 |
-0.86 |
0 |
|
|
125886 |
50942079 |
1 |
BrN2O4H35C39 |
AB2C4D35E39 |
-11.96 |
15.16 |
-8.68 |
-0.71 |
1 |
|
|
125887 |
50942080 |
1 |
BrN2O4H36C39 |
AB2C4D36E39 |
-23.75 |
4.2 |
0.0 |
0.0 |
0 |
|
|
125888 |
50942108 |
1 |
OC17H24 |
AB17C24 |
-23.44 |
2.64 |
-9.1 |
-0.22 |
0 |
|
|
125889 |
50942152 |
1 |
ClSO2N6C22H27 |
ABC2D6E22F27 |
-20.5 |
2.18 |
-8.7 |
-0.67 |
0 |
|
|
125890 |
50942429 |
1 |
ClN2S2F3O3H12C22 |
AB2C2D3E3F12G22 |
-172.53 |
7.13 |
-9.05 |
-1.95 |
0 |
|
|
125891 |
50942543 |
1 |
PF5O5C23H32 |
AB5C5D23E32 |
-547.35 |
5.22 |
-9.24 |
-0.7 |
0 |
|
|
125892 |
50942544 |
1 |
NPF5O5C19H25 |
ABC5D5E19F25 |
-506.09 |
7.06 |
-9.11 |
-0.81 |
0 |
|
|
125893 |
50942600 |
1 |
SO2N3C23H29 |
AB2C3D23E29 |
-32.22 |
5.24 |
-8.06 |
-0.65 |
1 |
|
|
125894 |
50942665 |
1 |
ClON2H8C10 |
ABC2D8E10 |
49.06 |
2.22 |
0.0 |
0.0 |
1 |
|
|
125895 |
50942667 |
1 |
N3O3H8C10 |
A3B3C8D10 |
53.84 |
6.25 |
0.0 |
0.0 |
0 |
|
|
125896 |
50942774 |
2 |
OC8H15 |
AB8C15 |
-133.88 |
1.93 |
-9.95 |
0.64 |
0 |
|
|
125897 |
50942775 |
2 |
OC8H15 |
AB8C15 |
-132.3 |
5.95 |
-9.95 |
0.42 |
0 |
|
|
125898 |
50942776 |
1 |
O2C11H18 |
A2B11C18 |
-100.91 |
2.81 |
-9.53 |
0.67 |
0 |
|
|
125899 |
50942860 |
1 |
ClO3N6H11C14 |
AB3C6D11E14 |
105.78 |
2.59 |
-9.0 |
-2.09 |
0 |
|
|
125901 |
50943200 |
1 |
O2N7C24H27 |
A2B7C24D27 |
15.54 |
3.03 |
-8.45 |
-0.7 |
0 |
|
|
125902 |
50943274 |
1 |
O2N6H22C23 |
A2B6C22D23 |
14.72 |
3.79 |
-8.62 |
-0.7 |
0 |
|
|
125903 |
50943275 |
1 |
ON5H17C19 |
AB5C17D19 |
69.89 |
6.64 |
-8.56 |
-0.75 |
0 |
|
|
125904 |
50943296 |
1 |
N2O3C23H28 |
A2B3C23D28 |
-92.4 |
7.01 |
-8.67 |
-0.44 |
0 |
|
|
125905 |
50943297 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-85.42 |
6.71 |
-8.72 |
-0.53 |
0 |
|
|
125906 |
50943363 |
1 |
N5O14C36H61 |
A5B14C36D61 |
-628.07 |
5.5 |
-8.99 |
0.1 |
0 |
|
|
125907 |
50943589 |
1 |
SO3N8C24H32 |
AB3C8D24E32 |
-54.91 |
6.93 |
-8.36 |
-0.62 |
0 |
|
|
125908 |
50943673 |
1 |
Cl2N2O4S5H16C22 |
A2B2C4D5E16F22 |
-68.97 |
4.72 |
-8.87 |
-1.37 |
0 |
|
|
125909 |
50943674 |
1 |
N2O4S5H14C20 |
A2B4C5D14E20 |
-28.24 |
5.09 |
-8.62 |
-1.1 |
0 |
|
|
125910 |
50943675 |
2 |
ClNS2O3H10C13 |
ABC2D3E10F13 |
-147.33 |
1.91 |
-8.29 |
-1.33 |
0 |
|
|
125911 |
50943769 |
1 |
ClSO3H13C18 |
ABC3D13E18 |
-19.89 |
5.88 |
-8.96 |
-1.28 |
3 |
|
|
125912 |
50943832 |
1 |
NaN4S4O20C76H94 |
AB4C4D20E76F94 |
-760.93 |
10.3 |
0.0 |
0.0 |
0 |
|
|
125913 |
50943906 |
1 |
N2O6C15H26 |
A2B6C15D26 |
-263.72 |
3.13 |
-9.86 |
-0.67 |
0 |
|
|
125914 |
50943907 |
2 |
NO2C8H16 |
AB2C8D16 |
-243.74 |
2.63 |
-9.82 |
0.57 |
0 |
|
|
125915 |
50943961 |
1 |
N3O4C25H29 |
A3B4C25D29 |
-126.36 |
7.05 |
-8.81 |
-0.68 |
0 |
|
|
125916 |
50943962 |
1 |
ClNS2O7C24H24 |
ABC2D7E24F24 |
-167.68 |
6.15 |
-8.48 |
-1.03 |
0 |
|
|
125917 |
50944028 |
1 |
O2S2F3N6H13C15 |
A2B2C3D6E13F15 |
-102.55 |
5.41 |
-9.33 |
-1.91 |
0 |
|
|
125918 |
50944076 |
1 |
ClON4C21H25 |
ABC4D21E25 |
15.05 |
5.08 |
-9.24 |
-1.42 |
0 |
|
|
125919 |
50944077 |
1 |
ClSN2O4H15C17 |
ABC2D4E15F17 |
-71.45 |
6.34 |
-8.93 |
-1.01 |
0 |
|
|
125920 |
50944078 |
1 |
SO2N3H13C17 |
AB2C3D13E17 |
43.64 |
6.97 |
-8.55 |
-1.27 |
0 |
|
|
125921 |
50944079 |
1 |
SO2N4H12C15 |
AB2C4D12E15 |
5.36 |
8.13 |
-8.14 |
-1.24 |
0 |
|
|
125922 |
50944080 |
1 |
N3O4H25C29 |
A3B4C25D29 |
-71.0 |
4.68 |
-9.3 |
-0.8 |
0 |
|
|
125923 |
50944081 |
1 |
N3O3C29H29 |
A3B3C29D29 |
-74.73 |
4.24 |
-9.24 |
-0.78 |
0 |
|
|
125924 |
50944082 |
1 |
N3O3H27C28 |
A3B3C27D28 |
-66.9 |
4.18 |
-9.16 |
-0.81 |
0 |
|
|
125925 |
50944100 |
1 |
ClF2N3O3C24H24 |
AB2C3D3E24F24 |
-188.29 |
3.73 |
-9.67 |
-0.55 |
0 |
|
|
125926 |
50944101 |
1 |
SF2N3O3C22H23 |
AB2C3D3E22F23 |
-178.63 |
5.8 |
-9.51 |
-0.97 |
0 |
|
|
125927 |
50944106 |
1 |
N3O3C25H29 |
A3B3C25D29 |
-90.36 |
3.54 |
-9.14 |
-0.06 |
0 |
|
|
125928 |
50944115 |
1 |
F2O2N3C17H21 |
A2B2C3D17E21 |
-170.2 |
3.01 |
-9.44 |
-0.36 |
0 |
|
|
125929 |
50944186 |
1 |
ClNO2C9H18 |
ABC2D9E18 |
-148.59 |
4.0 |
-9.07 |
0.28 |
0 |
|
|
125930 |
50944187 |
1 |
ClON2C11H17 |
ABC2D11E17 |
-72.77 |
3.51 |
-9.35 |
-0.04 |
0 |
|
|
125931 |
50944206 |
1 |
OCl2N3C9H13 |
AB2C3D9E13 |
-86.2 |
2.75 |
-8.48 |
-0.39 |
0 |
|
|
125932 |
50944210 |
1 |
ClN3C9H10 |
AB3C9D10 |
27.19 |
4.87 |
-9.11 |
-0.59 |
0 |
|
|
125933 |
50944218 |
1 |
Cl2N2C7H10 |
A2B2C7D10 |
-32.55 |
5.83 |
-8.88 |
-0.33 |
0 |
|
|
125934 |
50944274 |
1 |
Cl2N3C8H15 |
A2B3C8D15 |
-43.9 |
5.44 |
-9.35 |
0.63 |
0 |
|
|
125935 |
50944307 |
2 |
ClNOC6H9 |
ABCD6E9 |
-134.7 |
3.09 |
-8.99 |
-0.86 |
0 |