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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
431795 |
135171901 |
1 |
F3O3N4C25H35 |
A3B3C4D25E35 |
-272.22 |
4.39 |
-8.87 |
-0.5 |
0 |
|
|
431796 |
135171902 |
1 |
SN4O4C27H40 |
AB4C4D27E40 |
-151.02 |
6.33 |
-8.71 |
-1.24 |
0 |
|
|
431797 |
135171903 |
1 |
O3N6C23H34 |
A3B6C23D34 |
-95.34 |
5.66 |
-8.66 |
-0.82 |
0 |
|
|
431798 |
135171904 |
1 |
S2O4N5C21H33 |
A2B4C5D21E33 |
-136.15 |
4.82 |
-8.56 |
-1.25 |
0 |
|
|
431799 |
135171905 |
1 |
N3O3C25H37 |
A3B3C25D37 |
-119.65 |
3.89 |
-8.12 |
-0.24 |
0 |
|
|
431800 |
135171906 |
1 |
N3O4C23H35 |
A3B4C23D35 |
-152.93 |
5.5 |
-8.68 |
-0.5 |
0 |
|
|
431801 |
135171907 |
1 |
NPO4C13H18 |
ABC4D13E18 |
-96.01 |
6.57 |
-9.45 |
-1.32 |
0 |
|
|
431802 |
135171908 |
1 |
OC16H16 |
AB16C16 |
48.05 |
5.09 |
-8.51 |
-0.96 |
0 |
|
|
431803 |
135171909 |
1 |
N3O6C24H37 |
A3B6C24D37 |
-210.74 |
4.31 |
-8.88 |
-1.21 |
0 |
|
|
431804 |
135171910 |
1 |
O3N5C23H37 |
A3B5C23D37 |
-104.67 |
5.96 |
-8.22 |
0.14 |
0 |
|
|
431805 |
135171911 |
1 |
SN3O3C21H35 |
AB3C3D21E35 |
-131.2 |
4.41 |
-8.23 |
0.3 |
0 |
|
|
431806 |
135171912 |
2 |
N2O2C13H18 |
A2B2C13D18 |
-153.16 |
5.95 |
-8.77 |
-0.72 |
0 |
|
|
431807 |
135171913 |
1 |
N3O3C24H37 |
A3B3C24D37 |
-133.44 |
4.13 |
-8.44 |
-0.06 |
0 |
|
|
431808 |
135171914 |
1 |
N3O3C29H39 |
A3B3C29D39 |
-102.37 |
4.58 |
-8.7 |
-0.17 |
0 |
|
|
431809 |
135171915 |
1 |
O3N4C24H34 |
A3B4C24D34 |
-119.86 |
9.92 |
-8.55 |
-0.49 |
0 |
|
|
431810 |
135171916 |
1 |
O3N4C29H38 |
A3B4C29D38 |
-90.46 |
3.82 |
-8.89 |
-0.39 |
0 |
|
|
431811 |
135171917 |
1 |
SO2F3N3C24H34 |
AB2C3D3E24F34 |
-251.71 |
8.54 |
-8.77 |
-0.78 |
0 |
|
|
431812 |
135171918 |
1 |
N3O4C23H37 |
A3B4C23D37 |
-186.76 |
4.73 |
-8.25 |
0.27 |
0 |
|
|
431813 |
135171919 |
1 |
ClO2N3C27H38 |
AB2C3D27E38 |
-91.3 |
6.33 |
-8.35 |
-0.48 |
0 |
|
|
431814 |
135171920 |
1 |
NOC15H29 |
ABC15D29 |
-73.14 |
0.45 |
-8.43 |
2.15 |
0 |
|
|
431815 |
135171921 |
1 |
N3O3C22H35 |
A3B3C22D35 |
-152.32 |
6.4 |
-8.36 |
0.19 |
0 |
|
|
431816 |
135171922 |
1 |
N3O3C22H35 |
A3B3C22D35 |
-150.06 |
5.7 |
-8.57 |
0.25 |
0 |
|
|
431817 |
135171923 |
1 |
S2F3O3N5C23H32 |
A2B3C3D5E23F32 |
-220.87 |
10.25 |
-8.52 |
-0.98 |
0 |
|
|
431818 |
135171924 |
1 |
INC23H42 |
ABC23D42 |
-39.32 |
3.88 |
-8.39 |
-0.55 |
0 |
|
|
431819 |
135171925 |
1 |
SO2F3N7C22H30 |
AB2C3D7E22F30 |
-135.14 |
8.22 |
-9.18 |
-1.5 |
0 |
|
|
431820 |
135171926 |
1 |
S2F3O3N5C27H32 |
A2B3C3D5E27F32 |
-217.53 |
4.7 |
-8.74 |
-1.12 |
0 |
|
|
431821 |
135171927 |
1 |
SF3O3N4C27H31 |
AB3C3D4E27F31 |
-215.58 |
10.13 |
-9.35 |
-1.26 |
0 |
|
|
431822 |
135171928 |
1 |
O2N4C25H32 |
A2B4C25D32 |
-21.09 |
8.07 |
-8.22 |
-0.52 |
0 |
|
|
431823 |
135171929 |
1 |
O3N4C29H32 |
A3B4C29D32 |
-42.35 |
2.56 |
-8.6 |
-1.09 |
0 |
|
|
431824 |
135171930 |
1 |
NC16H31 |
AB16C31 |
-39.47 |
1.21 |
-8.15 |
2.84 |
0 |
|
|
431825 |
135171931 |
1 |
ClOSN8C21H29 |
ABCD8E21F29 |
74.06 |
6.92 |
-8.68 |
-0.91 |
0 |
|
|
431826 |
135171940 |
1 |
SO2F3N5C25H28 |
AB2C3D5E25F28 |
-158.18 |
4.89 |
-8.94 |
-1.38 |
0 |
|
|
431827 |
135171941 |
1 |
SO2F3N5C26H30 |
AB2C3D5E26F30 |
-158.44 |
9.19 |
-8.92 |
-1.2 |
0 |
|
|
431828 |
135171942 |
1 |
O2N3C23H31 |
A2B3C23D31 |
-53.54 |
3.32 |
-8.59 |
-0.7 |
0 |
|
|
431829 |
135171943 |
1 |
BrSO2N4C29H37 |
ABC2D4E29F37 |
-53.18 |
7.68 |
-8.69 |
-0.69 |
0 |
|
|
431830 |
135171944 |
1 |
ClN6O6C44H63 |
AB6C6D44E63 |
-241.94 |
7.85 |
-8.62 |
-0.72 |
0 |
|
|
431831 |
135171945 |
1 |
SO3N5C23H33 |
AB3C5D23E33 |
-93.18 |
5.72 |
-8.71 |
-1.46 |
0 |
|
|
431832 |
135171946 |
1 |
SO3N5C23H33 |
AB3C5D23E33 |
-96.84 |
4.36 |
-8.83 |
-1.4 |
0 |
|
|
431834 |
135171948 |
1 |
SO2F3N4C24H27 |
AB2C3D4E24F27 |
-170.4 |
4.37 |
-9.17 |
-1.24 |
0 |
|
|
431835 |
135171949 |
1 |
BrN2O3C14H21 |
AB2C3D14E21 |
-43.06 |
5.6 |
-8.68 |
-0.71 |
0 |
|
|
431836 |
135171950 |
1 |
SO2N5C26H29 |
AB2C5D26E29 |
24.86 |
9.51 |
-9.03 |
-1.34 |
0 |
|
|
431837 |
135171951 |
1 |
N2O3C23H36 |
A2B3C23D36 |
-129.41 |
4.37 |
-8.49 |
0.09 |
0 |
|
|
431838 |
135171952 |
1 |
SO3N4C21H32 |
AB3C4D21E32 |
-95.18 |
6.8 |
-8.72 |
-0.74 |
0 |
|
|
431839 |
135171953 |
1 |
SO2N3C25H37 |
AB2C3D25E37 |
-92.11 |
6.02 |
-8.24 |
-0.38 |
0 |
|
|
431840 |
135171954 |
1 |
O3N4C26H34 |
A3B4C26D34 |
-74.78 |
6.38 |
-8.86 |
-0.83 |
0 |
|
|
431841 |
135171955 |
1 |
SF3O4N5C32H40 |
AB3C4D5E32F40 |
-277.71 |
5.88 |
-9.04 |
-1.26 |
0 |
|
|
431842 |
135171956 |
1 |
SO2N4C26H34 |
AB2C4D26E34 |
-35.01 |
8.1 |
-8.68 |
-0.76 |
0 |
|
|
431843 |
135171957 |
1 |
O3N4C26H34 |
A3B4C26D34 |
-69.63 |
5.69 |
-8.93 |
-0.89 |
0 |
|
|
431844 |
135171958 |
1 |
O4N6H24C27 |
A4B6C24D27 |
-5.69 |
7.15 |
-8.89 |
-1.44 |
0 |
|
|
431845 |
135171959 |
1 |
O3N5H25C27 |
A3B5C25D27 |
21.92 |
7.73 |
-8.97 |
-1.16 |
0 |
|
|
431846 |
135171960 |
1 |
PN3O6C26H30 |
AB3C6D26E30 |
-211.87 |
6.05 |
-8.84 |
-1.1 |
0 |
|
|
431847 |
135171961 |
1 |
N4O5H28C30 |
A4B5C28D30 |
-77.17 |
6.45 |
-8.76 |
-1.18 |
0 |
|
|
431848 |
135171962 |
1 |
SF3O3N4C24H33 |
AB3C3D4E24F33 |
-261.51 |
6.09 |
-8.86 |
-1.16 |
0 |
|
|
431849 |
135171963 |
1 |
SF2N6O6C33H34 |
AB2C6D6E33F34 |
-247.88 |
8.76 |
-9.04 |
-0.99 |
0 |
|
|
431850 |
135171964 |
2 |
NOC11H18 |
ABC11D18 |
-118.06 |
3.37 |
-8.18 |
0.39 |
0 |
|
|
431851 |
135171965 |
1 |
ClSO2N4C24H35 |
ABC2D4E24F35 |
-66.85 |
5.49 |
-8.27 |
-0.71 |
0 |
|
|
431852 |
135171966 |
1 |
ClFN3O3C26H35 |
ABC3D3E26F35 |
-163.69 |
4.81 |
-8.66 |
-0.69 |
0 |
|
|
431853 |
135171967 |
1 |
ClFN3O3C26H35 |
ABC3D3E26F35 |
-167.11 |
1.42 |
-8.72 |
-0.56 |
0 |
|
|
431854 |
135171968 |
3 |
ON2C8H12 |
AB2C8D12 |
-97.91 |
4.09 |
-8.63 |
-0.78 |
0 |
|
|
431855 |
135171969 |
1 |
O3N6C23H34 |
A3B6C23D34 |
-63.97 |
4.5 |
-8.2 |
-1.16 |
0 |
|
|
431856 |
135171970 |
1 |
SF3O3N4C26H37 |
AB3C3D4E26F37 |
-254.91 |
6.84 |
-8.89 |
-1.23 |
0 |
|
|
431857 |
135171978 |
1 |
NH27C46 |
AB27C46 |
210.93 |
2.32 |
-7.99 |
-1.18 |
0 |
|
|
431858 |
135171979 |
1 |
NH23C40 |
AB23C40 |
325.93 |
3.13 |
-8.11 |
-1.21 |
0 |
|
|
431859 |
135171980 |
1 |
NH27C46 |
AB27C46 |
211.87 |
2.32 |
-8.03 |
-1.17 |
0 |
|
|
431860 |
135171981 |
1 |
NH27C46 |
AB27C46 |
443.82 |
2.34 |
-7.95 |
-1.15 |
0 |
|
|
431861 |
135171982 |
1 |
NH27C46 |
AB27C46 |
211.03 |
2.6 |
-7.99 |
-1.18 |
0 |
|
|
431862 |
135171983 |
1 |
NH27C46 |
AB27C46 |
374.19 |
3.68 |
-7.9 |
-1.19 |
0 |
|
|
431863 |
135171984 |
1 |
N2H26C45 |
A2B26C45 |
318.08 |
2.52 |
-8.06 |
-1.16 |
0 |
|
|
431864 |
135171985 |
1 |
NH27C46 |
AB27C46 |
304.65 |
2.81 |
-7.97 |
-1.13 |
0 |
|
|
431865 |
135171986 |
1 |
NH23C40 |
AB23C40 |
326.16 |
2.95 |
-8.13 |
-1.22 |
0 |
|
|
431866 |
135171987 |
1 |
SO2F3N5C23H32 |
AB2C3D5E23F32 |
-198.31 |
5.83 |
-8.93 |
-1.19 |
0 |
|
|
431867 |
135171988 |
2 |
ON2C14H16 |
AB2C14D16 |
-12.35 |
3.46 |
-8.76 |
-0.73 |
0 |
|
|
431868 |
135171989 |
1 |
SO2N4C24H30 |
AB2C4D24E30 |
-21.05 |
5.76 |
-8.69 |
-0.93 |
0 |
|
|
431869 |
135171990 |
1 |
SO2N3C25H39 |
AB2C3D25E39 |
-96.57 |
5.74 |
-8.44 |
-0.4 |
0 |
|
|
431870 |
135171991 |
1 |
SN2O4C25H40 |
AB2C4D25E40 |
-208.92 |
9.36 |
-8.55 |
-0.14 |
0 |
|
|
431871 |
135171992 |
1 |
SO2N4C27H32 |
AB2C4D27E32 |
23.94 |
5.84 |
-8.75 |
-0.93 |
0 |
|
|
431872 |
135171993 |
1 |
N2O2H34C55 |
A2B2C34D55 |
175.4 |
0.83 |
-8.02 |
-1.05 |
0 |
|
|
431873 |
135171994 |
1 |
O3N4C29H32 |
A3B4C29D32 |
-43.29 |
3.67 |
-8.68 |
-0.71 |
0 |
|
|
431874 |
135171995 |
1 |
N3O3C26H41 |
A3B3C26D41 |
-160.37 |
5.33 |
-8.51 |
0.02 |
0 |
|
|
431875 |
135171996 |
1 |
SO2F3N6C21H29 |
AB2C3D6E21F29 |
-194.44 |
11.82 |
-9.1 |
-1.16 |
0 |
|
|
431876 |
135171997 |
2 |
ON3C10H16 |
AB3C10D16 |
-27.68 |
6.15 |
-8.76 |
-0.35 |
0 |
|
|
431877 |
135171998 |
2 |
ON3C10H16 |
AB3C10D16 |
-24.35 |
10.11 |
-8.81 |
-0.47 |
0 |
|
|
431878 |
135171999 |
2 |
ON3C11H18 |
AB3C11D18 |
-40.92 |
3.29 |
-8.49 |
-0.2 |
0 |
|
|
431879 |
135172000 |
1 |
N3H55C97 |
A3B55C97 |
460.91 |
5.11 |
-7.96 |
-1.21 |
0 |
|
|
431880 |
135172001 |
1 |
NH29C50 |
AB29C50 |
364.69 |
2.85 |
-8.11 |
-1.11 |
0 |
|
|
431881 |
135172002 |
1 |
N7H85C152 |
A7B85C152 |
757.59 |
3.58 |
-8.04 |
-1.4 |
0 |
|
|
431882 |
135172003 |
1 |
NH29C50 |
AB29C50 |
228.9 |
2.92 |
-7.98 |
-1.16 |
0 |
|
|
431883 |
135172004 |
1 |
NH29C50 |
AB29C50 |
367.59 |
3.8 |
-7.96 |
-1.15 |
0 |
|
|
431884 |
135172005 |
1 |
O3N4C28H38 |
A3B4C28D38 |
-84.88 |
5.61 |
-8.46 |
-0.81 |
0 |
|
|
431885 |
135172006 |
1 |
ClSO3N4C24H35 |
ABC3D4E24F35 |
-100.17 |
5.94 |
-8.6 |
-0.88 |
0 |
|
|
431886 |
135172007 |
1 |
O3N4C28H38 |
A3B4C28D38 |
-85.69 |
9.74 |
-8.44 |
-0.66 |
0 |
|
|
431887 |
135172008 |
1 |
SF3O3N5C28H40 |
AB3C3D5E28F40 |
-267.43 |
6.62 |
-9.04 |
-1.21 |
0 |
|
|
431888 |
135172009 |
1 |
SO2F3N5C24H34 |
AB2C3D5E24F34 |
-203.12 |
7.85 |
-8.83 |
-1.01 |
0 |
|
|
431889 |
135172010 |
1 |
NOC14H27 |
ABC14D27 |
-62.15 |
1.95 |
-8.58 |
1.39 |
0 |
|
|
431890 |
135172011 |
1 |
ClN3O3C23H36 |
AB3C3D23E36 |
-135.35 |
6.58 |
-8.76 |
-0.15 |
0 |
|
|
431891 |
135172012 |
1 |
F3O3N4C25H33 |
A3B3C4D25E33 |
-248.82 |
5.89 |
-9.12 |
-1.2 |
0 |
|
|
431892 |
135172013 |
1 |
F3O3N4C25H33 |
A3B3C4D25E33 |
-253.36 |
8.25 |
-9.03 |
-1.13 |
0 |
|
|
431893 |
135172014 |
1 |
N3O6C24H37 |
A3B6C24D37 |
-197.36 |
3.55 |
-8.66 |
-0.95 |
0 |
|
|
431894 |
135172015 |
1 |
SF3O3N5C25H34 |
AB3C3D5E25F34 |
-248.46 |
7.48 |
-9.03 |
-1.14 |
0 |
|
|
431895 |
135172016 |
1 |
SF3O3N5C25H34 |
AB3C3D5E25F34 |
-253.49 |
8.34 |
-8.92 |
-1.18 |
0 |