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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
423895 |
135120664 |
2 |
NOC12H14 |
ABC12D14 |
-29.71 |
5.71 |
-8.77 |
-0.89 |
0 |
|
|
423896 |
135120669 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-36.33 |
6.94 |
-9.15 |
-0.38 |
0 |
|
|
423897 |
135120675 |
1 |
N5O7C38H47 |
A5B7C38D47 |
-249.94 |
4.47 |
-8.93 |
-0.7 |
0 |
|
|
423898 |
135120676 |
1 |
ON5C15H25 |
AB5C15D25 |
-27.01 |
3.19 |
-8.62 |
-0.31 |
0 |
|
|
423899 |
135120677 |
2 |
NO2C11H14 |
AB2C11D14 |
-144.06 |
2.85 |
-8.87 |
-0.72 |
0 |
|
|
423900 |
135120681 |
1 |
OSN3C17H17 |
ABC3D17E17 |
42.5 |
6.2 |
-8.71 |
-0.6 |
0 |
|
|
423901 |
135120683 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-49.95 |
5.25 |
-8.61 |
0.08 |
0 |
|
|
423902 |
135120685 |
2 |
NOC9H15 |
ABC9D15 |
-83.7 |
3.61 |
-8.86 |
0.71 |
0 |
|
|
423903 |
135120686 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-104.17 |
6.37 |
-8.57 |
-0.95 |
0 |
|
|
423904 |
135120689 |
1 |
SN6O7C32H42 |
AB6C7D32E42 |
-247.52 |
6.92 |
-8.86 |
-0.98 |
0 |
|
|
423906 |
135120705 |
1 |
N6O6C33H44 |
A6B6C33D44 |
-223.42 |
7.44 |
-8.96 |
-0.38 |
0 |
|
|
423907 |
135120706 |
1 |
FON5C15H18 |
ABC5D15E18 |
-18.35 |
1.43 |
-9.06 |
-0.8 |
0 |
|
|
423908 |
135120707 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-49.44 |
5.32 |
-8.42 |
-0.03 |
0 |
|
|
423909 |
135120710 |
2 |
NO2C11H16 |
AB2C11D16 |
-156.18 |
5.76 |
-8.36 |
0.04 |
0 |
|
|
423910 |
135120716 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-95.96 |
5.8 |
-8.64 |
0.32 |
0 |
|
|
423912 |
135120731 |
1 |
N2O3C22H32 |
A2B3C22D32 |
-147.59 |
2.06 |
-8.8 |
0.17 |
0 |
|
|
423913 |
135120738 |
1 |
SN3C16H19 |
AB3C16D19 |
63.02 |
2.11 |
-8.83 |
-0.16 |
0 |
|
|
423914 |
135120739 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-87.53 |
3.63 |
-8.83 |
0.22 |
0 |
|
|
423915 |
135120749 |
1 |
ON3C17H29 |
AB3C17D29 |
-65.35 |
3.73 |
-8.46 |
1.01 |
0 |
|
|
423916 |
135120750 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-54.85 |
3.64 |
-8.7 |
-0.14 |
0 |
|
|
423917 |
135120751 |
1 |
O4N5C21H27 |
A4B5C21D27 |
-90.48 |
5.35 |
-9.52 |
-0.82 |
0 |
|
|
423918 |
135120753 |
2 |
FON2C10H14 |
ABC2D10E14 |
-175.13 |
5.09 |
-8.87 |
-0.42 |
0 |
|
|
423919 |
135120754 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-162.23 |
4.35 |
-9.26 |
-1.09 |
0 |
|
|
423920 |
135120755 |
1 |
OSN5C19H23 |
ABC5D19E23 |
6.22 |
1.54 |
-8.43 |
-0.33 |
0 |
|
|
423921 |
135120757 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-73.65 |
6.98 |
-8.73 |
-0.18 |
0 |
|
|
423922 |
135120758 |
1 |
S2O5N9C35H49 |
A2B5C9D35E49 |
-153.45 |
6.89 |
-8.7 |
-0.84 |
0 |
|
|
423923 |
135120761 |
1 |
FN2O4C18H23 |
AB2C4D18E23 |
-188.34 |
6.02 |
-9.47 |
-0.27 |
0 |
|
|
423925 |
135120778 |
1 |
NO4C21H31 |
AB4C21D31 |
-194.64 |
4.8 |
-9.05 |
0.06 |
0 |
|
|
423926 |
135120779 |
1 |
N7O8C35H47 |
A7B8C35D47 |
-321.31 |
3.98 |
-9.41 |
-0.5 |
0 |
|
|
423927 |
135120785 |
1 |
SF2N5O5C32H41 |
AB2C5D5E32F41 |
-290.59 |
4.61 |
-8.68 |
-0.38 |
0 |
|
|
423928 |
135120788 |
1 |
OSN3C19H27 |
ABC3D19E27 |
-5.45 |
4.66 |
-8.76 |
-0.17 |
0 |
|
|
423929 |
135120789 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-168.94 |
2.48 |
-9.84 |
-0.39 |
0 |
|
|
423930 |
135120790 |
1 |
ON3C17H23 |
AB3C17D23 |
-0.66 |
1.68 |
-8.85 |
-0.02 |
0 |
|
|
423932 |
135120797 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-85.24 |
0.62 |
-8.38 |
-0.26 |
0 |
|
|
423933 |
135120798 |
1 |
SO6N8C31H40 |
AB6C8D31E40 |
-203.3 |
9.96 |
-9.27 |
-1.32 |
0 |
|
|
423934 |
135120799 |
1 |
N2S3O5C15H20 |
A2B3C5D15E20 |
-156.4 |
8.11 |
-9.11 |
-1.37 |
0 |
|
|
423936 |
135120801 |
3 |
NOC7H9 |
ABC7D9 |
-59.63 |
3.4 |
-8.71 |
-1.11 |
0 |
|
|
423937 |
135120802 |
1 |
ClO3N4C18H23 |
AB3C4D18E23 |
-51.24 |
6.03 |
-9.26 |
-0.98 |
0 |
|
|
423938 |
135120803 |
1 |
N5C15H21 |
A5B15C21 |
52.03 |
5.31 |
-8.75 |
-0.24 |
0 |
|
|
423939 |
135120813 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-31.45 |
3.74 |
-8.62 |
-0.24 |
0 |
|
|
423940 |
135120815 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-84.13 |
8.78 |
-8.43 |
0.31 |
0 |
|
|
423941 |
135120819 |
1 |
O3N6C27H34 |
A3B6C27D34 |
-81.94 |
2.15 |
-8.45 |
-0.43 |
0 |
|
|
423942 |
135120820 |
1 |
O3N6C18H26 |
A3B6C18D26 |
-100.8 |
4.71 |
-8.76 |
0.01 |
0 |
|
|
423943 |
135120821 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-93.58 |
7.06 |
-9.36 |
-0.61 |
0 |
|
|
423944 |
135120825 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-35.94 |
6.87 |
-8.51 |
-0.62 |
0 |
|
|
423945 |
135120826 |
1 |
ON4C20H30 |
AB4C20D30 |
-21.6 |
4.5 |
-8.59 |
0.12 |
0 |
|
|
423946 |
135120827 |
1 |
NO5C16H19 |
AB5C16D19 |
-168.29 |
6.91 |
-8.82 |
-0.3 |
0 |
|
|
423947 |
135120828 |
1 |
ON7C16H21 |
AB7C16D21 |
49.84 |
2.85 |
-8.55 |
-0.14 |
0 |
|
|
423948 |
135120830 |
3 |
NOC5H5 |
ABC5D5 |
-98.17 |
7.03 |
-9.14 |
-0.88 |
0 |
|
|
423949 |
135120832 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-76.22 |
6.42 |
-8.39 |
-0.25 |
0 |
|
|
423950 |
135120833 |
1 |
SN3O4C14H21 |
AB3C4D14E21 |
-147.62 |
6.2 |
-10.09 |
-0.44 |
0 |
|
|
423951 |
135120834 |
1 |
SF2N2O4C14H18 |
AB2C2D4E14F18 |
-237.66 |
4.6 |
-9.82 |
-1.0 |
0 |
|
|
423952 |
135120837 |
1 |
ClON3C13H18 |
ABC3D13E18 |
55.24 |
2.2 |
-8.65 |
-0.48 |
0 |
|
|
423953 |
135120846 |
1 |
O2N3C24H29 |
A2B3C24D29 |
-9.06 |
2.28 |
-8.74 |
-0.59 |
0 |
|
|
423954 |
135120847 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-44.87 |
3.13 |
-9.74 |
-0.58 |
0 |
|
|
423955 |
135120862 |
1 |
ClN3O3C14H18 |
AB3C3D14E18 |
-89.1 |
3.36 |
-9.12 |
-0.76 |
0 |
|
|
423956 |
135120877 |
1 |
FO2N4C15H17 |
AB2C4D15E17 |
-48.58 |
2.47 |
-8.76 |
-0.14 |
0 |
|
|
423957 |
135120878 |
1 |
N2O3C19H30 |
A2B3C19D30 |
-125.17 |
5.66 |
-8.64 |
0.12 |
0 |
|
|
423958 |
135120879 |
1 |
O6N9C32H43 |
A6B9C32D43 |
-195.82 |
5.79 |
-9.18 |
-0.49 |
0 |
|
|
423959 |
135120881 |
1 |
ON5C23H25 |
AB5C23D25 |
39.55 |
3.52 |
-8.6 |
-0.98 |
0 |
|
|
423960 |
135120883 |
1 |
NSO2C17H29 |
ABC2D17E29 |
-85.69 |
7.83 |
-8.9 |
1.1 |
0 |
|
|
423961 |
135120884 |
1 |
FN5O5C29H34 |
AB5C5D29E34 |
-178.95 |
4.85 |
-8.56 |
-0.32 |
0 |
|
|
423962 |
135120886 |
4 |
NC5H9 |
AB5C9 |
-7.61 |
1.48 |
-8.51 |
1.18 |
0 |
|
|
423963 |
135120887 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-70.05 |
6.5 |
-8.8 |
0.46 |
0 |
|
|
423964 |
135120890 |
1 |
SO3N4C18H32 |
AB3C4D18E32 |
-132.33 |
6.42 |
-8.63 |
0.2 |
0 |
|
|
423965 |
135120892 |
1 |
ClOSN4C19H27 |
ABCD4E19F27 |
-20.34 |
3.8 |
-8.82 |
-0.31 |
0 |
|
|
423966 |
135120893 |
2 |
ON2C8H10 |
AB2C8D10 |
-13.62 |
5.9 |
-8.74 |
-0.85 |
0 |
|
|
423967 |
135120894 |
1 |
SN3O5C13H19 |
AB3C5D13E19 |
-178.61 |
5.94 |
-9.32 |
-0.74 |
0 |
|
|
423968 |
135120895 |
1 |
O2N5C14H17 |
A2B5C14D17 |
-23.72 |
2.47 |
-9.01 |
-0.84 |
0 |
|
|
423969 |
135120896 |
1 |
O4N9C35H43 |
A4B9C35D43 |
-67.65 |
5.34 |
-8.51 |
-1.03 |
0 |
|
|
423970 |
135120897 |
1 |
ClFO2N3C17H19 |
ABC2D3E17F19 |
-101.88 |
5.96 |
-9.31 |
-0.54 |
0 |
|
|
423971 |
135120898 |
1 |
SO4N5C24H27 |
AB4C5D24E27 |
-52.75 |
6.39 |
-8.98 |
-0.78 |
0 |
|
|
423972 |
135120910 |
1 |
F2N3O3C15H17 |
A2B3C3D15E17 |
-176.2 |
3.66 |
-9.08 |
-0.8 |
0 |
|
|
423973 |
135120913 |
1 |
SN4O4C17H18 |
AB4C4D17E18 |
-47.51 |
3.29 |
-9.88 |
-1.27 |
0 |
|
|
423974 |
135120915 |
1 |
FN4C16H19 |
AB4C16D19 |
9.05 |
2.44 |
-8.58 |
0.04 |
0 |
|
|
423975 |
135120916 |
1 |
N2O5C14H14 |
A2B5C14D14 |
-151.93 |
5.83 |
-10.18 |
-0.93 |
0 |
|
|
423976 |
135120917 |
1 |
SN2O5C13H20 |
AB2C5D13E20 |
-177.5 |
1.87 |
-9.91 |
0.0 |
0 |
|
|
423977 |
135120919 |
1 |
O5N6C37H48 |
A5B6C37D48 |
-203.59 |
7.13 |
-8.14 |
-0.04 |
0 |
|
|
423978 |
135120924 |
1 |
O4N7C29H39 |
A4B7C29D39 |
-1.25 |
10.32 |
-8.07 |
-0.22 |
0 |
|
|
423980 |
135120928 |
1 |
ON6C28H32 |
AB6C28D32 |
33.26 |
4.69 |
-8.35 |
-0.63 |
0 |
|
|
423981 |
135120929 |
1 |
ON7C28H29 |
AB7C28D29 |
84.92 |
3.52 |
-8.55 |
-0.54 |
0 |
|
|
423982 |
135120931 |
1 |
OSN7C28H29 |
ABC7D28E29 |
93.95 |
7.01 |
-8.75 |
-0.78 |
0 |
|
|
423983 |
135120933 |
1 |
FO2N6H21C26 |
AB2C6D21E26 |
32.09 |
6.35 |
-8.65 |
-0.68 |
0 |
|
|
423984 |
135120935 |
1 |
OF3N7H24C25 |
AB3C7D24E25 |
-82.17 |
6.15 |
-8.61 |
-0.76 |
0 |
|
|
423985 |
135120937 |
1 |
O2F3N6H23C24 |
A2B3C6D23E24 |
-135.15 |
10.27 |
-8.61 |
-0.82 |
0 |
|
|
423986 |
135120938 |
1 |
OF3N7C26H26 |
AB3C7D26E26 |
-87.18 |
7.93 |
-8.62 |
-0.8 |
0 |
|
|
423987 |
135120943 |
1 |
O2F3N6H23C25 |
A2B3C6D23E25 |
-109.13 |
3.21 |
-8.59 |
-0.74 |
0 |
|
|
423988 |
135120945 |
1 |
FO2N6H19C24 |
AB2C6D19E24 |
36.4 |
3.88 |
-9.04 |
-0.65 |
0 |
|
|
423989 |
135120946 |
2 |
ON3H10C12 |
AB3C10D12 |
78.22 |
6.22 |
-9.09 |
-0.45 |
0 |
|
|
423990 |
135120948 |
1 |
FO2N6H21C25 |
AB2C6D21E25 |
22.98 |
7.95 |
-9.06 |
-0.6 |
0 |
|
|
423991 |
135120949 |
1 |
OF3N6H25C27 |
AB3C6D25E27 |
-68.99 |
7.43 |
-8.6 |
-0.76 |
0 |
|
|
423992 |
135120950 |
1 |
OF3N7C25H30 |
AB3C7D25E30 |
-88.55 |
4.91 |
-8.52 |
-0.72 |
0 |
|
|
423993 |
135120954 |
1 |
ON8H22C23 |
AB8C22D23 |
129.67 |
2.37 |
-9.06 |
-0.68 |
0 |
|
|
423994 |
135120958 |
1 |
OF3N7H26C27 |
AB3C7D26E27 |
-62.47 |
3.82 |
-8.77 |
-0.64 |
0 |
|
|
423995 |
135120959 |
1 |
ON7C27H27 |
AB7C27D27 |
123.83 |
4.1 |
-9.06 |
-0.43 |
0 |
|
|
423996 |
135120961 |
1 |
OF3N6H23C26 |
AB3C6D23E26 |
-58.13 |
5.76 |
-8.68 |
-0.67 |
0 |
|
|
423997 |
135120972 |
1 |
FNSiO2C33H40 |
ABCD2E33F40 |
-112.18 |
2.37 |
-8.49 |
0.21 |
0 |
|
|
423998 |
135121001 |
1 |
N3O4C11H15 |
A3B4C11D15 |
-127.61 |
1.23 |
-9.14 |
-0.52 |
0 |
|
|
423999 |
135121008 |
1 |
O5N6C25H28 |
A5B6C25D28 |
-154.97 |
4.05 |
-9.44 |
-0.49 |
0 |
|
|
424000 |
135121009 |
1 |
ClFN4O5C21H22 |
ABC4D5E21F22 |
-201.58 |
8.07 |
-8.85 |
-0.77 |
0 |