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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
409924 |
135082711 |
1 |
BO5C27H39 |
AB5C27D39 |
-262.52 |
1.7 |
-8.55 |
0.25 |
0 |
|
|
409925 |
135082712 |
1 |
BO3C23H35 |
AB3C23D35 |
-216.72 |
3.9 |
-9.08 |
0.56 |
0 |
|
|
409928 |
135082715 |
1 |
NO4C15H17 |
AB4C15D17 |
-140.95 |
2.83 |
-8.79 |
-0.84 |
0 |
|
|
409929 |
135082716 |
1 |
NO4C16H19 |
AB4C16D19 |
-133.64 |
5.11 |
-8.71 |
-0.96 |
0 |
|
|
409930 |
135082717 |
1 |
SiO3C20H36 |
AB3C20D36 |
-206.66 |
2.81 |
-8.62 |
0.82 |
0 |
|
|
409931 |
135082718 |
1 |
SiO2C20H34 |
AB2C20D34 |
-106.19 |
1.53 |
-9.0 |
0.75 |
-3 |
|
|
409932 |
135082719 |
1 |
WN3C36H54 |
AB3C36D54 |
105.77 |
5.05 |
0.0 |
0.0 |
0 |
|
|
409933 |
135082720 |
1 |
OC17H26 |
AB17C26 |
-45.34 |
1.15 |
-9.36 |
0.34 |
0 |
|
|
409937 |
135082724 |
1 |
SN2F3O3H15C16 |
AB2C3D3E15F16 |
-223.62 |
5.15 |
-9.68 |
-1.21 |
0 |
|
|
409938 |
135082725 |
1 |
SN2F3O3H15C16 |
AB2C3D3E15F16 |
-220.49 |
5.76 |
-9.76 |
-1.03 |
-1 |
|
|
409939 |
135082726 |
1 |
PPdSF3O3H22C28 |
ABCD3E3F22G28 |
-131.4 |
4.51 |
-8.2 |
-1.48 |
0 |
|
|
409943 |
135082730 |
1 |
FeC18H22 |
AB18C22 |
21.14 |
1.02 |
-7.97 |
1.2 |
0 |
|
|
409944 |
135082731 |
2 |
C9H11 |
A9B11 |
57.59 |
0.61 |
-8.78 |
-0.27 |
0 |
|
|
409948 |
135082735 |
1 |
OC9H12 |
AB9C12 |
25.55 |
2.78 |
-9.18 |
0.8 |
0 |
|
|
409949 |
135082736 |
1 |
ClO3F6H9C11 |
AB3C6D9E11 |
-371.46 |
2.66 |
-10.58 |
-0.95 |
0 |
|
|
409950 |
135082737 |
1 |
ZnCl2N2O10C17H30 |
AB2C2D10E17F30 |
-46.04 |
6.52 |
-9.37 |
-5.66 |
0 |
|
|
409951 |
135082738 |
1 |
ZnN2S2F6O8H22C23 |
AB2C2D6E8F22G23 |
-552.17 |
14.76 |
-9.59 |
-2.04 |
0 |
|
|
409952 |
135082739 |
1 |
PdN2S2F6O8H22C23 |
AB2C2D6E8F22G23 |
-482.02 |
6.04 |
-8.85 |
-1.8 |
0 |
|
|
409953 |
135082740 |
1 |
ZnN2S2F6O8C25H26 |
AB2C2D6E8F25G26 |
-602.0 |
10.41 |
-9.58 |
-1.62 |
0 |
|
|
409954 |
135082741 |
1 |
PdN2S2F6O8C25H26 |
AB2C2D6E8F25G26 |
-532.05 |
5.41 |
-9.34 |
-1.31 |
0 |
|
|
409955 |
135082742 |
1 |
CuCl2N2O10C17H30 |
AB2C2D10E17F30 |
-100.69 |
10.39 |
0.0 |
0.0 |
0 |
|
|
409956 |
135082743 |
1 |
BN2S2F6O6H25C26 |
AB2C2D6E6F25G26 |
-516.11 |
3.97 |
-8.66 |
-1.99 |
0 |
|
|
409957 |
135082744 |
1 |
BNO2C24H24 |
ABC2D24E24 |
-58.02 |
4.21 |
-8.5 |
-0.02 |
0 |
|
|
409958 |
135082745 |
1 |
PdCl2N2O10C17H30 |
AB2C2D10E17F30 |
-69.98 |
5.84 |
-9.83 |
-4.79 |
0 |
|
|
409959 |
135082746 |
1 |
BNSF3O5C25H25 |
ABCD3E5F25G25 |
-344.81 |
11.98 |
-9.28 |
-0.48 |
0 |
|
|
409960 |
135082747 |
1 |
BN2S2F6O6C30H33 |
AB2C2D6E6F30G33 |
-558.31 |
5.68 |
-8.81 |
-1.72 |
0 |
|
|
409961 |
135082748 |
1 |
BNO2C28H32 |
ABC2D28E32 |
-98.49 |
4.04 |
-8.51 |
0.26 |
0 |
|
|
409962 |
135082749 |
1 |
PdN2S2F6O8C19H30 |
AB2C2D6E8F19G30 |
-647.55 |
11.81 |
-9.73 |
-1.38 |
0 |
|
|
409963 |
135082750 |
1 |
ZnCl2N2O10C21H22 |
AB2C2D10E21F22 |
-69.84 |
15.11 |
-9.79 |
-3.26 |
0 |
|
|
409964 |
135082751 |
1 |
BNSF3O5C29H33 |
ABCD3E5F29G33 |
-283.99 |
3.09 |
-8.73 |
-0.87 |
0 |
|
|
409965 |
135082752 |
1 |
CuCl2N2O10C21H22 |
AB2C2D10E21F22 |
-8.13 |
6.4 |
0.0 |
0.0 |
0 |
|
|
409966 |
135082753 |
1 |
PdCl2N2O10C21H22 |
AB2C2D10E21F22 |
1.33 |
13.56 |
-10.33 |
-4.07 |
0 |
|
|
409967 |
135082754 |
1 |
ZnCl2N2O10C24H30 |
AB2C2D10E24F30 |
-101.55 |
6.18 |
-9.08 |
-4.45 |
0 |
|
|
409968 |
135082755 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-45.23 |
1.89 |
-9.45 |
0.25 |
0 |
|
|
409969 |
135082756 |
1 |
CuCl2N2O10C24H30 |
AB2C2D10E24F30 |
-55.1 |
6.15 |
0.0 |
0.0 |
0 |
|
|
409970 |
135082757 |
1 |
BrSiO3C25H37 |
ABC3D25E37 |
-149.52 |
3.86 |
-8.78 |
-0.82 |
0 |
|
|
409971 |
135082758 |
1 |
ClSiO2C16H29 |
ABC2D16E29 |
-164.49 |
1.98 |
-8.96 |
-0.37 |
0 |
|
|
409975 |
135082762 |
2 |
SSeC6H11 |
ABC6D11 |
19.53 |
1.99 |
-8.43 |
-1.88 |
0 |
|
|
409976 |
135082763 |
1 |
ClNO6C12H18 |
ABC6D12E18 |
-223.74 |
2.11 |
-9.92 |
-1.58 |
0 |
|
|
409977 |
135082764 |
1 |
NO3Cl4C9H13 |
AB3C4D9E13 |
-161.8 |
3.59 |
-9.48 |
-0.85 |
0 |
|
|
409978 |
135082765 |
1 |
LiOH5F6C9 |
ABC5D6E9 |
-338.64 |
8.75 |
-8.89 |
0.0 |
0 |
|
|
409979 |
135082766 |
1 |
KLiO4H8C9 |
ABC4D8E9 |
-169.95 |
2.57 |
-7.36 |
0.92 |
0 |
|
|
409980 |
135082767 |
1 |
N2H14C23 |
A2B14C23 |
204.69 |
4.97 |
-8.49 |
-1.3 |
0 |
|
|
409981 |
135082768 |
1 |
NSO2H11C18 |
ABC2D11E18 |
25.33 |
2.56 |
-9.07 |
-2.09 |
0 |
|
|
409982 |
135082769 |
1 |
N4Si6O42C235H310 |
A4B6C42D235E310 |
-1912.06 |
22.31 |
-8.45 |
-0.85 |
0 |
|
|
409985 |
135082772 |
1 |
SCl2O5H10C15 |
AB2C5D10E15 |
33.5 |
6.53 |
-9.32 |
-4.31 |
1 |
|
|
409986 |
135082773 |
1 |
ClOSH10C15 |
ABCD10E15 |
34.08 |
3.86 |
0.0 |
0.0 |
0 |
|
|
409987 |
135082774 |
1 |
N2S2O7C14H16 |
A2B2C7D14E16 |
-176.44 |
7.05 |
-9.06 |
-1.74 |
1 |
|
|
409988 |
135082775 |
1 |
SN2O3C14H15 |
AB2C3D14E15 |
-10.99 |
7.37 |
0.0 |
0.0 |
0 |
|
|
409989 |
135082776 |
1 |
NS2O5C11H13 |
AB2C5D11E13 |
-139.86 |
10.11 |
-9.34 |
-1.37 |
0 |
|
|
409990 |
135082777 |
1 |
NS2O5C15H19 |
AB2C5D15E19 |
-124.03 |
30.88 |
-8.44 |
-2.52 |
1 |
|
|
409991 |
135082778 |
1 |
NOSC15H18 |
ABCD15E18 |
-14.97 |
4.11 |
0.0 |
0.0 |
0 |
|
|
409992 |
135082779 |
1 |
NS2O6C15H19 |
AB2C6D15E19 |
-184.92 |
19.21 |
-7.6 |
-1.41 |
1 |
|
|
409993 |
135082780 |
1 |
NSO2C15H18 |
ABC2D15E18 |
-45.86 |
5.33 |
0.0 |
0.0 |
0 |
|
|
409994 |
135082781 |
1 |
NSSeO4C18H19 |
ABCD4E18F19 |
-54.89 |
8.1 |
-8.56 |
-0.66 |
0 |
|
|
409995 |
135082783 |
1 |
P2O6C7H14 |
A2B6C7D14 |
-326.23 |
2.88 |
-10.56 |
0.03 |
0 |
|
|
409996 |
135082784 |
1 |
ClSC4H5 |
ABC4D5 |
32.17 |
2.76 |
-8.67 |
-0.15 |
0 |
|
|
409997 |
135082785 |
1 |
ClNSC9H12 |
ABCD9E12 |
36.25 |
3.36 |
-9.43 |
-0.86 |
0 |
|
|
409998 |
135082786 |
1 |
ClPC17H20 |
ABC17D20 |
-3.37 |
6.36 |
-8.95 |
0.01 |
0 |
|
|
409999 |
135082787 |
1 |
ClPC18H22 |
ABC18D22 |
-4.87 |
6.71 |
-8.87 |
0.03 |
0 |
|
|
410000 |
135082788 |
1 |
AsAuNO2H19C24 |
ABCD2E19F24 |
324.96 |
4.53 |
-8.16 |
-3.81 |
0 |
|
|
410001 |
135082789 |
1 |
AuO2N3H12C18 |
AB2C3D12E18 |
195.33 |
5.85 |
-9.43 |
-1.46 |
5 |
|
|
410010 |
135082798 |
1 |
Au4P4H79C81 |
A4B4C79D81 |
546.07 |
10.24 |
0.0 |
0.0 |
0 |
|
|
410014 |
135082803 |
1 |
AuN5O6H14C20 |
AB5C6D14E20 |
166.94 |
3.58 |
-9.21 |
-2.35 |
0 |
|
|
410015 |
135082804 |
1 |
BiSiC17H21 |
ABC17D21 |
57.53 |
1.24 |
-8.46 |
0.17 |
-4 |
|
|
410016 |
135082805 |
2 |
AuBrC8H18 |
ABC8D18 |
159.03 |
5.44 |
-5.43 |
-3.41 |
0 |
|
|
410017 |
135082806 |
1 |
AuPF3H15C21 |
ABC3D15E21 |
42.65 |
5.55 |
-8.88 |
-1.12 |
0 |
|
|
410018 |
135082807 |
1 |
AuPH20C22 |
ABC20D22 |
269.8 |
2.0 |
-8.76 |
-1.02 |
-4 |
|
|
410021 |
135082810 |
1 |
AuPO2C26H28 |
ABC2D26E28 |
1.14 |
6.47 |
-8.86 |
-0.98 |
0 |
|
|
410022 |
135082811 |
1 |
AsAuO2H22C23 |
ABC2D22E23 |
140.39 |
9.88 |
-8.87 |
-2.93 |
0 |
|
|
410023 |
135082812 |
1 |
AuClP2C26H58 |
ABC2D26E58 |
-47.71 |
14.95 |
-5.71 |
-0.58 |
0 |
|
|
410024 |
135082813 |
1 |
AsC2N2H3 |
AB2C2D3 |
80.4 |
2.1 |
-8.88 |
-0.28 |
0 |
|
|
410025 |
135082814 |
2 |
NPO2H13C14 |
ABC2D13E14 |
-159.22 |
4.07 |
-8.41 |
-0.54 |
0 |
|
|
410026 |
135082815 |
1 |
ON5C10H13 |
AB5C10D13 |
44.25 |
4.07 |
-9.26 |
-0.72 |
0 |
|
|
410027 |
135082816 |
1 |
ON8C17H18 |
AB8C17D18 |
140.94 |
4.12 |
-9.23 |
-0.78 |
0 |
|
|
410028 |
135082817 |
1 |
AlClP2N4O4C56H58 |
ABC2D4E4F56G58 |
-160.14 |
7.03 |
-8.21 |
-0.54 |
0 |
|
|
410031 |
135082820 |
1 |
N2O2H8C13 |
A2B2C8D13 |
42.22 |
2.55 |
-9.55 |
-1.55 |
1 |
|
|
410032 |
135082821 |
1 |
N2O2H9C13 |
A2B2C9D13 |
34.13 |
7.01 |
0.0 |
0.0 |
0 |
|
|
410033 |
135082822 |
1 |
O2N3H7C8 |
A2B3C7D8 |
6.48 |
3.06 |
-9.49 |
-1.51 |
1 |
|
|
410034 |
135082823 |
1 |
O2N3C8H8 |
A2B3C8D8 |
-2.66 |
6.3 |
0.0 |
0.0 |
0 |
|
|
410035 |
135082824 |
1 |
ClFNOC13H15 |
ABCDE13F15 |
-63.39 |
4.42 |
-8.26 |
-0.15 |
0 |
|
|
410036 |
135082825 |
1 |
BC16H27 |
AB16C27 |
-39.7 |
0.33 |
-9.09 |
0.65 |
0 |
|
|
410037 |
135082826 |
1 |
BC18H35 |
AB18C35 |
-65.49 |
0.28 |
-9.1 |
0.54 |
0 |
|
|
410038 |
135082827 |
1 |
SN2O4C6H8 |
AB2C4D6E8 |
-129.03 |
1.36 |
-10.51 |
-0.81 |
0 |
|
|
410039 |
135082828 |
1 |
SN2O4H10C11 |
AB2C4D10E11 |
-96.02 |
4.9 |
-10.37 |
-0.92 |
0 |
|
|
410040 |
135082829 |
1 |
BrSC14H15 |
ABC14D15 |
49.1 |
5.57 |
-7.57 |
-0.49 |
0 |
|
|
410041 |
135082830 |
1 |
HOC8F13 |
ABC8D13 |
-680.63 |
2.28 |
-10.99 |
-1.29 |
0 |
|
|
410042 |
135082831 |
1 |
OC9H16 |
AB9C16 |
-74.78 |
3.78 |
-9.74 |
0.77 |
0 |
|
|
410043 |
135082832 |
1 |
BC9H17 |
AB9C17 |
-34.93 |
0.78 |
-8.89 |
0.65 |
0 |
|
|
410044 |
135082833 |
1 |
BC11H13 |
AB11C13 |
15.41 |
0.69 |
-8.97 |
-0.31 |
0 |
|
|
410045 |
135082834 |
1 |
BC10H15 |
AB10C15 |
7.05 |
0.59 |
-8.5 |
0.78 |
3 |
|
|
410046 |
135082835 |
1 |
BFeO3C16H20 |
ABC3D16E20 |
65.88 |
3.7 |
0.0 |
0.0 |
0 |
|
|
410047 |
135082836 |
1 |
BNPSiC23H33 |
ABCDE23F33 |
-133.54 |
4.16 |
-7.54 |
-0.1 |
0 |
|
|
410048 |
135082837 |
1 |
NB2Si2C12H29 |
AB2C2D12E29 |
-132.68 |
0.87 |
-8.0 |
1.04 |
1 |
|
|
410049 |
135082838 |
1 |
KNC10H12 |
ABC10D12 |
37.19 |
8.16 |
-5.63 |
0.12 |
0 |
|
|
410050 |
135082839 |
1 |
NC10H12 |
AB10C12 |
52.67 |
1.59 |
0.0 |
0.0 |
1 |
|
|
410051 |
135082840 |
1 |
KNC16H16 |
ABC16D16 |
44.02 |
9.17 |
-5.94 |
-0.09 |
0 |
|
|
410052 |
135082841 |
1 |
NC16H16 |
AB16C16 |
72.23 |
1.8 |
0.0 |
0.0 |
0 |
|
|
410053 |
135082842 |
1 |
FeN4O10H30C34 |
AB4C10D30E34 |
-153.15 |
9.73 |
-8.88 |
-2.1 |
0 |
|
|
410054 |
135082843 |
1 |
ZnN4H32C44 |
AB4C32D44 |
359.99 |
4.56 |
-8.5 |
-1.6 |
0 |