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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
120762 |
50743705 |
1 |
BrNO5H24C26 |
ABC5D24E26 |
-107.61 |
1.11 |
-8.38 |
-0.56 |
0 |
|
|
120763 |
50743706 |
1 |
ClFNSO2H19C24 |
ABCDE2F19G24 |
-45.74 |
4.32 |
-8.72 |
-0.98 |
0 |
|
|
120764 |
50743760 |
1 |
FNO3H20C24 |
ABC3D20E24 |
-73.86 |
3.85 |
-8.86 |
-0.43 |
0 |
|
|
120765 |
50743813 |
1 |
ClSN2O2H21C22 |
ABC2D2E21F22 |
-6.27 |
2.26 |
-8.95 |
-1.49 |
0 |
|
|
120766 |
50743820 |
1 |
ClFOSN2H20C22 |
ABCDE2F20G22 |
-12.74 |
1.99 |
-9.06 |
-1.68 |
0 |
|
|
120767 |
50743824 |
1 |
ClFOSN2H18C21 |
ABCDE2F18G21 |
-11.77 |
2.42 |
-9.09 |
-1.71 |
0 |
|
|
120768 |
50743835 |
1 |
FOSN2H21C22 |
ABCD2E21F22 |
-11.63 |
0.77 |
-8.94 |
-1.52 |
0 |
|
|
120769 |
50743923 |
1 |
FOSN2H17C20 |
ABCD2E17F20 |
4.85 |
1.96 |
-9.0 |
-1.62 |
0 |
|
|
120770 |
50743949 |
1 |
ClSN2O2H17C19 |
ABC2D2E17F19 |
-3.36 |
3.14 |
-8.87 |
-1.56 |
0 |
|
|
120771 |
50743950 |
1 |
OSF2N2H16C20 |
ABC2D2E16F20 |
-44.94 |
1.84 |
-9.09 |
-1.69 |
0 |
|
|
120772 |
50744005 |
1 |
ClON3H16C17 |
ABC3D16E17 |
51.98 |
2.79 |
-8.53 |
-1.15 |
0 |
|
|
120773 |
50744025 |
1 |
S2O4N7H13C15 |
A2B4C7D13E15 |
-11.54 |
3.22 |
-9.28 |
-1.59 |
0 |
|
|
120774 |
50744107 |
1 |
N3O4H23C25 |
A3B4C23D25 |
-46.34 |
0.88 |
-8.44 |
-1.12 |
0 |
|
|
120775 |
50744108 |
1 |
O2N3H23C25 |
A2B3C23D25 |
15.35 |
0.89 |
-8.7 |
-1.27 |
0 |
|
|
120776 |
50744109 |
1 |
ClON6C27H29 |
ABC6D27E29 |
76.77 |
7.93 |
-8.15 |
-0.75 |
0 |
|
|
120777 |
50744110 |
1 |
ClFN6C26H26 |
ABC6D26E26 |
70.66 |
5.14 |
-8.44 |
-0.9 |
0 |
|
|
120778 |
50744141 |
1 |
ClN4O5C26H29 |
AB4C5D26E29 |
-180.74 |
10.85 |
-8.37 |
-0.72 |
0 |
|
|
120779 |
50744172 |
1 |
O2N5H15C16 |
A2B5C15D16 |
41.91 |
10.76 |
-9.39 |
-1.14 |
0 |
|
|
120780 |
50744173 |
1 |
N5O6C19H19 |
A5B6C19D19 |
-105.93 |
9.4 |
-9.59 |
-1.22 |
0 |
|
|
120781 |
50744174 |
1 |
ClN2O4H13C16 |
AB2C4D13E16 |
-107.42 |
6.15 |
-8.85 |
-0.67 |
0 |
|
|
120782 |
50744175 |
2 |
NO2C9H9 |
AB2C9D9 |
-115.78 |
8.25 |
-8.72 |
-0.43 |
0 |
|
|
120783 |
50744179 |
1 |
F2N2O3H16C23 |
A2B2C3D16E23 |
-116.97 |
5.03 |
-8.7 |
-0.94 |
0 |
|
|
120784 |
50744205 |
1 |
ClO2N3H18C23 |
AB2C3D18E23 |
23.63 |
1.61 |
-8.66 |
-1.2 |
0 |
|
|
120785 |
50744267 |
1 |
N3O4H19C22 |
A3B4C19D22 |
-40.37 |
7.6 |
-8.41 |
-0.99 |
0 |
|
|
120786 |
50744268 |
1 |
N3O4H19C22 |
A3B4C19D22 |
-37.77 |
1.53 |
-8.42 |
-0.94 |
0 |
|
|
120787 |
50744269 |
1 |
ClN3O4H16C21 |
AB3C4D16E21 |
-37.89 |
8.4 |
-8.82 |
-1.25 |
0 |
|
|
120788 |
50744424 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-54.8 |
3.13 |
-8.66 |
-0.12 |
0 |
|
|
120789 |
50744425 |
1 |
O5N6C24H28 |
A5B6C24D28 |
-89.1 |
8.85 |
-8.95 |
-1.03 |
0 |
|
|
120790 |
50744593 |
1 |
ClOSN4C22H23 |
ABCD4E22F23 |
45.47 |
6.04 |
-8.82 |
-0.77 |
0 |
|
|
120791 |
50744663 |
1 |
FOSN4C24H27 |
ABCD4E24F27 |
-9.12 |
3.74 |
-8.64 |
-0.96 |
0 |
|
|
120792 |
50744788 |
1 |
O2N3C24H25 |
A2B3C24D25 |
-12.83 |
4.8 |
-8.54 |
-0.97 |
0 |
|
|
120793 |
50744789 |
1 |
O2N3C22H23 |
A2B3C22D23 |
-17.98 |
7.7 |
-8.77 |
-1.06 |
0 |
|
|
120794 |
50744790 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-33.28 |
4.56 |
-8.32 |
-1.04 |
0 |
|
|
120795 |
50744791 |
1 |
F2O2N3H21C22 |
A2B2C3D21E22 |
-107.72 |
8.4 |
-9.13 |
-1.07 |
0 |
|
|
120796 |
50744792 |
1 |
F2O2N3H21C22 |
A2B2C3D21E22 |
-105.82 |
6.65 |
-9.16 |
-1.17 |
0 |
|
|
120797 |
50744793 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-27.63 |
7.45 |
-8.72 |
-1.03 |
0 |
|
|
120798 |
50744794 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-52.85 |
3.79 |
-8.25 |
-1.01 |
0 |
|
|
120799 |
50744802 |
1 |
O2N4C19H28 |
A2B4C19D28 |
-70.29 |
5.11 |
-8.86 |
-0.16 |
0 |
|
|
120800 |
50745059 |
1 |
N2O2C19H20 |
A2B2C19D20 |
-25.56 |
2.39 |
-8.2 |
-0.44 |
0 |
|
|
120801 |
50745060 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-57.23 |
2.16 |
-8.25 |
-0.51 |
0 |
|
|
120802 |
50745061 |
1 |
BrON5H18C19 |
ABC5D18E19 |
71.93 |
7.25 |
-8.93 |
-0.97 |
0 |
|
|
120803 |
50745077 |
1 |
SN4O4C25H30 |
AB4C4D25E30 |
-128.01 |
9.4 |
-8.54 |
-0.73 |
0 |
|
|
120804 |
50745165 |
1 |
ClO2N5C27H32 |
AB2C5D27E32 |
-39.99 |
7.84 |
-8.38 |
-0.46 |
0 |
|
|
120805 |
50745193 |
1 |
SO2N4C13H18 |
AB2C4D13E18 |
-32.07 |
4.52 |
-9.04 |
-1.23 |
0 |
|
|
120806 |
50745324 |
1 |
ON3C22H31 |
AB3C22D31 |
-40.41 |
3.08 |
-8.71 |
-0.02 |
0 |
|
|
120807 |
50745365 |
1 |
BrON4H17C22 |
ABC4D17E22 |
88.09 |
10.11 |
-8.86 |
-1.02 |
0 |
|
|
120808 |
50745378 |
1 |
ClN4O4H21C24 |
AB4C4D21E24 |
-34.61 |
4.88 |
-8.19 |
-1.01 |
0 |
|
|
120809 |
50745421 |
1 |
FO2N4H17C22 |
AB2C4D17E22 |
11.01 |
7.96 |
-8.85 |
-0.93 |
0 |
|
|
120810 |
50745436 |
1 |
ClON4H17C22 |
ABC4D17E22 |
77.6 |
8.73 |
-8.73 |
-1.06 |
0 |
|
|
120811 |
50745462 |
2 |
ON2C10H10 |
AB2C10D10 |
20.03 |
6.11 |
-9.27 |
-0.74 |
0 |
|
|
120812 |
50745529 |
1 |
ClO2N4H17C22 |
AB2C4D17E22 |
44.18 |
10.61 |
-8.72 |
-0.93 |
0 |
|
|
120813 |
50745563 |
1 |
ClO2N4H19C20 |
AB2C4D19E20 |
13.92 |
6.26 |
-9.21 |
-0.94 |
0 |
|
|
120814 |
50745622 |
1 |
ClO3N4H19C20 |
AB3C4D19E20 |
-19.1 |
7.11 |
-9.18 |
-0.95 |
0 |
|
|
120815 |
50745638 |
1 |
FON4C21H21 |
ABC4D21E21 |
4.77 |
5.66 |
-9.36 |
-0.96 |
0 |
|
|
120816 |
50745640 |
1 |
FON4H19C23 |
ABC4D19E23 |
37.08 |
6.04 |
-8.74 |
-1.15 |
0 |
|
|
120817 |
50745645 |
1 |
ClO3N4H23C25 |
AB3C4D23E25 |
-5.58 |
5.22 |
-9.33 |
-1.08 |
0 |
|
|
120818 |
50745718 |
2 |
ON2C10H11 |
AB2C10D11 |
9.02 |
7.13 |
-9.14 |
-0.75 |
0 |
|
|
120819 |
50745719 |
1 |
O2N4H20C23 |
A2B4C20D23 |
42.91 |
7.66 |
-8.61 |
-0.87 |
0 |
|
|
120820 |
50745728 |
1 |
ClO2N4H17C22 |
AB2C4D17E22 |
48.18 |
6.43 |
-8.41 |
-1.14 |
0 |
|
|
120821 |
50746072 |
1 |
N3O5H23C26 |
A3B5C23D26 |
-79.9 |
4.13 |
-9.22 |
-1.3 |
0 |
|
|
120822 |
50746079 |
1 |
N3O4H21C24 |
A3B4C21D24 |
-26.68 |
3.19 |
-8.76 |
-1.12 |
0 |
|
|
120823 |
50746080 |
1 |
O3N4H20C23 |
A3B4C20D23 |
24.1 |
1.7 |
-9.42 |
-1.14 |
0 |
|
|
120824 |
50746081 |
1 |
FO3N4H25C27 |
AB3C4D25E27 |
-23.69 |
2.64 |
-9.15 |
-0.98 |
0 |
|
|
120825 |
50746082 |
1 |
N3O3C23H25 |
A3B3C23D25 |
-29.41 |
2.68 |
-9.18 |
-0.94 |
0 |
|
|
120826 |
50746268 |
1 |
O2N7H23C26 |
A2B7C23D26 |
121.9 |
10.06 |
-9.14 |
-1.41 |
0 |
|
|
120827 |
50746270 |
1 |
O3N7H21C22 |
A3B7C21D22 |
84.3 |
11.87 |
-8.74 |
-1.49 |
0 |
|
|
120828 |
50746271 |
1 |
O3N7H19C22 |
A3B7C19D22 |
130.76 |
10.21 |
-8.67 |
-1.57 |
0 |
|
|
120829 |
50746331 |
1 |
FN3O3H20C21 |
AB3C3D20E21 |
-64.23 |
10.13 |
-8.56 |
-0.66 |
0 |
|
|
120830 |
50746482 |
1 |
N4C19H22 |
A4B19C22 |
66.7 |
4.24 |
-8.29 |
-0.29 |
0 |
|
|
120831 |
50746546 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-99.9 |
7.01 |
-8.32 |
-0.62 |
0 |
|
|
120832 |
50746564 |
1 |
ClSN3O3H22C23 |
ABC3D3E22F23 |
-64.2 |
5.1 |
-8.75 |
-1.0 |
0 |
|
|
120833 |
50746565 |
1 |
FSN3O3H20C24 |
ABC3D3E20F24 |
-33.07 |
5.54 |
-8.78 |
-0.96 |
0 |
|
|
120834 |
50746594 |
1 |
ClSN3O4H22C25 |
ABC3D4E22F25 |
-32.6 |
4.46 |
-8.34 |
-1.08 |
0 |
|
|
120835 |
50746689 |
1 |
ClSN4O4H19C22 |
ABC4D4E19F22 |
-98.59 |
7.01 |
-9.11 |
-1.17 |
0 |
|
|
120836 |
50746701 |
1 |
SN3O3C24H25 |
AB3C3D24E25 |
-67.19 |
4.56 |
-8.82 |
-0.89 |
0 |
|
|
120837 |
50746830 |
1 |
ClSN3O4C24H24 |
ABC3D4E24F24 |
-102.35 |
2.52 |
-8.25 |
-0.94 |
0 |
|
|
120838 |
50746847 |
1 |
ClSN3O3H20C23 |
ABC3D3E20F23 |
-37.9 |
3.7 |
-9.0 |
-1.02 |
0 |
|
|
120839 |
50746887 |
1 |
SN4O4C24H24 |
AB4C4D24E24 |
-97.25 |
8.62 |
-9.06 |
-0.85 |
0 |
|
|
120840 |
50746888 |
1 |
SN3O4H25C26 |
AB3C4D25E26 |
-32.97 |
4.79 |
-8.26 |
-0.77 |
0 |
|
|
120841 |
50746915 |
1 |
N3O3H13C16 |
A3B3C13D16 |
-4.4 |
3.53 |
-9.44 |
-1.12 |
0 |
|
|
120842 |
50746916 |
1 |
N3O5C21H21 |
A3B5C21D21 |
-81.76 |
3.76 |
-8.93 |
-1.03 |
0 |
|
|
120843 |
50746917 |
1 |
N3O4H21C24 |
A3B4C21D24 |
-25.69 |
2.77 |
-8.92 |
-1.08 |
0 |
|
|
120844 |
50746918 |
1 |
ClN3O3C20H20 |
AB3C3D20E20 |
-23.89 |
3.63 |
-9.45 |
-1.02 |
0 |
|
|
120845 |
50746919 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-27.4 |
3.49 |
-9.39 |
-0.97 |
0 |
|
|
120846 |
50746920 |
1 |
FN2O3C16H21 |
AB2C3D16E21 |
-173.92 |
4.56 |
-9.6 |
0.0 |
0 |
|
|
120847 |
50746921 |
1 |
FN2O3C14H17 |
AB2C3D14E17 |
-158.41 |
4.2 |
-9.58 |
0.0 |
0 |
|
|
120848 |
50746922 |
1 |
ClN2O3C19H19 |
AB2C3D19E19 |
-82.67 |
2.68 |
-8.21 |
-0.41 |
0 |
|
|
120849 |
50746923 |
1 |
ClON2C19H21 |
ABC2D19E21 |
-18.59 |
2.4 |
-9.32 |
-0.22 |
0 |
|
|
120850 |
50746924 |
1 |
ClN3O3H18C19 |
AB3C3D18E19 |
-27.54 |
0.94 |
-9.54 |
-1.05 |
0 |
|
|
120851 |
50746925 |
1 |
FN2O3C19H21 |
AB2C3D19E21 |
-126.0 |
5.3 |
-8.39 |
-0.03 |
0 |
|
|
120852 |
50746926 |
1 |
FON2C14H19 |
ABC2D14E19 |
-87.8 |
2.51 |
-9.43 |
-0.23 |
0 |
|
|
120853 |
50746936 |
1 |
SO3N5C18H21 |
AB3C5D18E21 |
-2.27 |
5.51 |
-9.27 |
-1.31 |
0 |
|
|
120854 |
50746937 |
1 |
ClFN2O3C19H20 |
ABC2D3E19F20 |
-133.29 |
7.62 |
-8.13 |
-0.25 |
0 |
|
|
120855 |
50746966 |
1 |
ClNO2S2C15H16 |
ABC2D2E15F16 |
-36.22 |
4.3 |
-9.21 |
-1.15 |
0 |
|
|
120856 |
50746967 |
1 |
NSO2C21H25 |
ABC2D21E25 |
-58.87 |
7.28 |
-9.08 |
-0.39 |
0 |
|
|
120857 |
50746968 |
1 |
NSO3C21H27 |
ABC3D21E27 |
-94.89 |
6.36 |
-8.5 |
-0.38 |
0 |
|
|
120858 |
50746982 |
1 |
FNO2C19H20 |
ABC2D19E20 |
-93.21 |
7.13 |
-9.04 |
0.03 |
0 |
|
|
120859 |
50747125 |
1 |
BrSN2O3C21H23 |
ABC2D3E21F23 |
-79.75 |
9.83 |
-8.84 |
-0.82 |
0 |
|
|
120860 |
50747126 |
1 |
N3O3C18H19 |
A3B3C18D19 |
-17.42 |
3.38 |
-9.27 |
-1.25 |
0 |
|
|
120861 |
50747149 |
2 |
NO2C10H12 |
AB2C10D12 |
-121.25 |
5.16 |
-8.34 |
-0.01 |
0 |