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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
14809 |
421062 |
1 |
NOC10H20 |
ABC10D20 |
-44.15 |
2.77 |
0.0 |
0.0 |
1 |
|
|
14810 |
421079 |
1 |
ClFSO4N5C21H25 |
ABCD4E5F21G25 |
-151.7 |
7.09 |
-9.04 |
-0.84 |
0 |
|
|
14812 |
421084 |
1 |
ClRu |
AB |
111.62 |
2.32 |
0.0 |
0.0 |
0 |
|
|
14813 |
421091 |
1 |
ON2H18C20 |
AB2C18D20 |
81.64 |
3.03 |
-8.72 |
-0.38 |
0 |
|
|
14814 |
421375 |
1 |
NC12H24 |
AB12C24 |
2.61 |
0.31 |
0.0 |
0.0 |
1 |
|
|
14815 |
421380 |
1 |
SN2O3C14H28 |
AB2C3D14E28 |
-97.36 |
5.36 |
-8.55 |
-0.56 |
2 |
|
|
14816 |
421448 |
1 |
NPO3C10H17 |
ABC3D10E17 |
-127.53 |
7.95 |
0.0 |
0.0 |
1 |
|
|
14817 |
421449 |
1 |
NPO3C4H13 |
ABC3D4E13 |
-167.28 |
4.69 |
0.0 |
0.0 |
1 |
|
|
14818 |
421450 |
2 |
PO3C8H13 |
AB3C8D13 |
-361.63 |
4.38 |
-9.65 |
-0.28 |
0 |
|
|
14819 |
421530 |
3 |
ClNH6C7 |
ABC6D7 |
74.09 |
3.82 |
-9.04 |
-0.59 |
0 |
|
|
14820 |
421531 |
1 |
N2C21H22 |
A2B21C22 |
89.23 |
1.49 |
-8.92 |
0.17 |
0 |
|
|
14821 |
421673 |
1 |
N2O4H14C31F40 |
A2B4C14D31E40 |
-2120.7 |
3.42 |
-9.19 |
-0.71 |
0 |
|
|
14822 |
421700 |
1 |
N4C11H20 |
A4B11C20 |
20.02 |
0.63 |
-8.59 |
0.52 |
0 |
|
|
14823 |
421771 |
1 |
Cl2O2N3C16H16 |
A2B2C3D16E16 |
-45.54 |
7.4 |
0.0 |
0.0 |
1 |
|
|
14824 |
421791 |
2 |
NOC2H5 |
ABC2D5 |
-98.7 |
1.99 |
-9.74 |
0.74 |
0 |
|
|
14826 |
421813 |
1 |
ZnN4S4C12H22 |
AB4C4D12E22 |
23.8 |
7.28 |
-8.63 |
-0.95 |
0 |
|
|
14828 |
421925 |
1 |
NO2C11H15 |
AB2C11D15 |
-77.7 |
2.03 |
-9.3 |
0.03 |
0 |
|
|
14829 |
421965 |
1 |
P5N16O35C49H63 |
A5B16C35D49E63 |
-1700.32 |
21.31 |
-9.18 |
-1.7 |
0 |
|
|
14830 |
422071 |
1 |
ON2C19H33 |
AB2C19D33 |
-67.36 |
2.69 |
0.0 |
0.0 |
1 |
|
|
14831 |
422072 |
1 |
O2N3C19H32 |
A2B3C19D32 |
-99.37 |
2.81 |
0.0 |
0.0 |
1 |
|
|
14832 |
422073 |
1 |
N2O3C20H33 |
A2B3C20D33 |
-148.01 |
5.34 |
0.0 |
0.0 |
1 |
|
|
14833 |
422074 |
1 |
N2O3C20H33 |
A2B3C20D33 |
-147.07 |
3.71 |
0.0 |
0.0 |
1 |
|
|
14834 |
422089 |
1 |
O2N3H20C21 |
A2B3C20D21 |
-0.03 |
2.8 |
0.0 |
0.0 |
1 |
|
|
14835 |
422168 |
1 |
ClN2O3C24H32 |
AB2C3D24E32 |
-119.22 |
3.47 |
0.0 |
0.0 |
1 |
|
|
14836 |
422198 |
1 |
NO11C30H33 |
AB11C30D33 |
-440.03 |
10.32 |
-9.12 |
-2.06 |
0 |
|
|
14837 |
422199 |
1 |
N5C11H17 |
A5B11C17 |
43.77 |
1.83 |
-9.05 |
0.31 |
0 |
|
|
14839 |
422259 |
1 |
ClO2N3H13C14 |
AB2C3D13E14 |
-32.26 |
4.23 |
0.0 |
0.0 |
1 |
|
|
14840 |
422308 |
1 |
NOC12H19 |
ABC12D19 |
-36.13 |
2.54 |
-8.63 |
0.2 |
0 |
|
|
14841 |
422309 |
1 |
NC25H29 |
AB25C29 |
57.5 |
1.58 |
-9.06 |
0.24 |
0 |
|
|
14842 |
422310 |
1 |
NOCl3C8H16 |
ABC3D8E16 |
-91.45 |
2.97 |
-9.58 |
-0.52 |
0 |
|
|
14843 |
422320 |
1 |
NO2C23H31 |
AB2C23D31 |
-71.67 |
2.1 |
-8.53 |
0.24 |
0 |
|
|
14844 |
422321 |
1 |
OCl2N2H11C13 |
AB2C2D11E13 |
-3.41 |
5.09 |
0.0 |
0.0 |
1 |
|
|
14845 |
422332 |
1 |
N3O12C40H53 |
A3B12C40D53 |
-443.99 |
5.96 |
-8.15 |
-1.37 |
0 |
|
|
14846 |
422349 |
1 |
N2O13C44H56 |
A2B13C44D56 |
-522.73 |
5.48 |
-8.49 |
-1.21 |
0 |
|
|
14847 |
422352 |
2 |
NO6C22H28 |
AB6C22D28 |
-465.23 |
5.82 |
-8.35 |
-1.22 |
0 |
|
|
14848 |
422381 |
1 |
ClOH25C33 |
ABC25D33 |
87.94 |
3.28 |
-9.1 |
-0.05 |
0 |
|
|
14849 |
422448 |
1 |
N3O13C44H61 |
A3B13C44D61 |
-502.71 |
4.68 |
-8.04 |
-1.26 |
0 |
|
|
14850 |
422463 |
1 |
BrNO4C22H29 |
ABC4D22E29 |
-79.94 |
2.65 |
0.0 |
0.0 |
1 |
|
|
14851 |
422479 |
1 |
ClNO4C14H21 |
ABC4D14E21 |
-68.62 |
3.14 |
0.0 |
0.0 |
1 |
|
|
14852 |
422480 |
1 |
NC14H18 |
AB14C18 |
24.86 |
0.82 |
0.0 |
0.0 |
1 |
|
|
14853 |
422584 |
1 |
PH22C26 |
AB22C26 |
115.47 |
9.2 |
0.0 |
0.0 |
0 |
|
|
14854 |
422631 |
1 |
N2O13C46H60 |
A2B13C46D60 |
-533.27 |
6.18 |
-8.4 |
-1.32 |
0 |
|
|
14855 |
422660 |
1 |
SN2O3C11H18 |
AB2C3D11E18 |
-108.89 |
4.24 |
-9.32 |
-0.55 |
0 |
|
|
14856 |
422681 |
1 |
N2O5C20H21 |
A2B5C20D21 |
-96.04 |
7.04 |
0.0 |
0.0 |
1 |
|
|
14857 |
422687 |
1 |
SF3O4H5C7 |
AB3C4D5E7 |
-311.59 |
1.91 |
-10.2 |
-1.61 |
0 |
|
|
14859 |
422728 |
1 |
N2O15C45H62 |
A2B15C45D62 |
-607.35 |
4.98 |
-8.15 |
-1.46 |
0 |
|
|
14860 |
422738 |
1 |
N2O13C50H72 |
A2B13C50D72 |
-493.07 |
5.07 |
-7.8 |
-1.7 |
0 |
|
|
14861 |
422746 |
1 |
NO2C15H23 |
AB2C15D23 |
-83.04 |
2.93 |
-8.61 |
0.15 |
0 |
|
|
14863 |
422936 |
2 |
NC10H14 |
AB10C14 |
33.27 |
1.82 |
-8.23 |
0.11 |
0 |
|
|
14864 |
422984 |
1 |
NO2C16H21 |
AB2C16D21 |
-77.63 |
3.47 |
-9.13 |
0.0 |
0 |
|
|
14865 |
423037 |
1 |
S2N3O9H15C23 |
A2B3C9D15E23 |
-4.26 |
2.56 |
-8.37 |
-3.32 |
0 |
|
|
14866 |
423074 |
1 |
N2O5H22C24 |
A2B5C22D24 |
-152.57 |
4.26 |
-8.7 |
-1.79 |
0 |
|
|
14867 |
423104 |
1 |
ClN2O6C18H25 |
AB2C6D18E25 |
-130.07 |
2.22 |
-8.25 |
-0.29 |
0 |
|
|
14868 |
423107 |
1 |
NC20H23 |
AB20C23 |
45.53 |
1.34 |
-9.02 |
0.25 |
0 |
|
|
14869 |
423108 |
1 |
SN3O7C8H9 |
AB3C7D8E9 |
-119.8 |
4.33 |
-10.43 |
-2.12 |
0 |
|
|
14870 |
423123 |
1 |
ClN2O2C23H24 |
AB2C2D23E24 |
6.29 |
8.6 |
0.0 |
0.0 |
1 |
|
|
14871 |
423124 |
1 |
NSO3C7H9 |
ABC3D7E9 |
-109.85 |
3.08 |
-8.72 |
-0.13 |
0 |
|
|
14872 |
423125 |
1 |
CuN2O2C22H30 |
AB2C2D22E30 |
-21.02 |
8.49 |
0.0 |
0.0 |
0 |
|
|
14873 |
423168 |
1 |
ClON6C12H15 |
ABC6D12E15 |
24.87 |
3.85 |
-9.04 |
-1.06 |
0 |
|
|
14874 |
423198 |
1 |
ClN2O3C29H33 |
AB2C3D29E33 |
-87.02 |
3.65 |
-8.24 |
-0.94 |
0 |
|
|
14875 |
423256 |
1 |
Cl4N4C17H18 |
A4B4C17D18 |
64.43 |
5.86 |
-9.12 |
-1.3 |
0 |
|
|
14876 |
423331 |
1 |
NOC17H19 |
ABC17D19 |
4.29 |
3.0 |
-8.9 |
0.06 |
0 |
|
|
14877 |
423357 |
1 |
ClPBr2C13H17 |
ABC2D13E17 |
-9.48 |
14.17 |
0.0 |
0.0 |
0 |
|
|
14878 |
423360 |
1 |
OPC12H16 |
ABC12D16 |
-17.06 |
10.93 |
0.0 |
0.0 |
0 |
|
|
14879 |
423371 |
1 |
ON3C11H13 |
AB3C11D13 |
38.03 |
1.02 |
-9.14 |
-0.57 |
0 |
|
|
14880 |
423375 |
1 |
SN3C7H13 |
AB3C7D13 |
37.21 |
4.33 |
-8.05 |
-0.2 |
0 |
|
|
14881 |
423401 |
1 |
PO2N4C13H15 |
AB2C4D13E15 |
-46.95 |
4.4 |
-8.89 |
-0.07 |
0 |
|
|
14882 |
423418 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-133.04 |
1.92 |
-8.32 |
-0.2 |
0 |
|
|
14883 |
423448 |
1 |
NOH14C15 |
ABC14D15 |
11.17 |
2.64 |
0.0 |
0.0 |
1 |
|
|
14884 |
423466 |
1 |
ClNOH16C19 |
ABCD16E19 |
39.64 |
2.53 |
-8.25 |
-0.67 |
0 |
|
|
14885 |
423481 |
1 |
NO4H14C17 |
AB4C14D17 |
-105.93 |
5.83 |
0.0 |
0.0 |
1 |
|
|
14886 |
423484 |
1 |
ClNO4C13H13 |
ABC4D13E13 |
-12.09 |
3.72 |
0.0 |
0.0 |
1 |
|
|
14889 |
423563 |
1 |
NSO9C24H27 |
ABC9D24E27 |
-309.49 |
3.75 |
-7.58 |
-0.58 |
0 |
|
|
14890 |
423566 |
1 |
N2Cl3C19H21 |
A2B3C19D21 |
23.01 |
2.99 |
-8.44 |
-0.54 |
0 |
|
|
14891 |
423571 |
1 |
OBr2Cl2N2C20H22 |
AB2C2D2E20F22 |
-12.17 |
3.96 |
-8.44 |
-0.71 |
0 |
|
|
14892 |
423575 |
2 |
SN2O5C15H19 |
AB2C5D15E19 |
-401.25 |
1.79 |
-9.04 |
-1.22 |
0 |
|
|
14893 |
423577 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-30.89 |
6.61 |
-8.92 |
-1.57 |
0 |
|
|
14894 |
423586 |
1 |
H20C27 |
A20B27 |
120.14 |
0.09 |
-8.98 |
-0.19 |
0 |
|
|
14895 |
423587 |
1 |
ClNOSC16H24 |
ABCDE16F24 |
-62.73 |
3.72 |
-8.96 |
-0.5 |
0 |
|
|
14896 |
423596 |
1 |
INOC10H13 |
ABCD10E13 |
9.31 |
8.12 |
0.0 |
0.0 |
1 |
|
|
14897 |
423598 |
1 |
ON2C9H18 |
AB2C9D18 |
45.89 |
1.02 |
-4.25 |
1.4 |
2 |
|
|
14898 |
423599 |
2 |
PH16C20 |
AB16C20 |
186.84 |
8.8 |
-5.92 |
-0.24 |
0 |
|
|
14899 |
423600 |
1 |
PC25H30 |
AB25C30 |
114.84 |
9.13 |
0.0 |
0.0 |
0 |
|
|
14900 |
423603 |
2 |
PO2H20C22 |
AB2C20D22 |
24.61 |
5.34 |
-5.54 |
0.05 |
0 |
|
|
14901 |
423607 |
1 |
OSi2C11H20 |
AB2C11D20 |
-71.12 |
0.94 |
-7.87 |
0.06 |
0 |
|
|
14902 |
423712 |
2 |
ClNOC7H7 |
ABCD7E7 |
-46.48 |
3.61 |
-8.21 |
-0.26 |
0 |
|
|
14903 |
423716 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-28.48 |
2.49 |
-8.14 |
0.02 |
0 |
|
|
14904 |
423766 |
1 |
N3O5C39H52 |
A3B5C39D52 |
-202.68 |
5.84 |
0.0 |
0.0 |
1 |
|
|
14905 |
423974 |
1 |
OCl2N5H17C19 |
AB2C5D17E19 |
25.35 |
7.97 |
-8.84 |
-0.58 |
0 |
|
|
14906 |
423975 |
1 |
OCl3N5H16C19 |
AB3C5D16E19 |
18.78 |
5.48 |
-8.76 |
-0.84 |
0 |
|
|
14907 |
423976 |
1 |
ClFSO4N6H20C24 |
ABCD4E6F20G24 |
-106.25 |
11.11 |
-9.03 |
-1.07 |
0 |
|
|
14908 |
423977 |
1 |
BrCl2O2N4H17C20 |
AB2C2D4E17F20 |
-30.69 |
11.34 |
-9.17 |
-1.12 |
0 |
|
|
14909 |
423978 |
1 |
FSCl2O4N6H19C24 |
ABC2D4E6F19G24 |
-111.82 |
8.32 |
-8.77 |
-1.0 |
0 |
|
|
14910 |
423979 |
1 |
Cl2O2N4H16C19 |
A2B2C4D16E19 |
-8.08 |
7.19 |
-9.11 |
-0.74 |
0 |
|
|
14911 |
423980 |
1 |
ClFSO3N5H21C25 |
ABCD3E5F21G25 |
-79.82 |
7.38 |
-8.93 |
-1.48 |
0 |
|
|
14912 |
423981 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-61.4 |
4.91 |
-9.42 |
-1.45 |
0 |
|
|
14913 |
423984 |
1 |
S2N3O6C25H29 |
A2B3C6D25E29 |
-185.93 |
4.71 |
-8.02 |
-0.9 |
0 |
|
|
14914 |
424008 |
1 |
N2C15H22 |
A2B15C22 |
2.97 |
0.6 |
-7.22 |
0.78 |
0 |
|
|
14915 |
424051 |
1 |
NC14H15 |
AB14C15 |
37.58 |
1.56 |
-8.0 |
0.29 |
0 |
|
|
14916 |
424053 |
1 |
NC13H13 |
AB13C13 |
112.98 |
2.04 |
-8.34 |
-0.21 |
0 |