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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
434982 |
135176143 |
1 |
BrNPCl2O2H11C16 |
ABCD2E2F11G16 |
11.64 |
2.98 |
-8.49 |
-1.51 |
0 |
|
|
434983 |
135176144 |
1 |
ON2C10H16 |
AB2C10D16 |
-13.4 |
3.06 |
-8.83 |
0.09 |
0 |
|
|
434984 |
135176145 |
1 |
NO2C7H11 |
AB2C7D11 |
-73.22 |
1.06 |
-10.0 |
-0.88 |
0 |
|
|
434985 |
135176146 |
1 |
ClON6H31C33 |
ABC6D31E33 |
118.45 |
6.73 |
-8.9 |
-1.3 |
0 |
|
|
434986 |
135176153 |
2 |
ON2H13C14 |
AB2C13D14 |
35.55 |
4.59 |
-9.07 |
-1.3 |
0 |
|
|
434987 |
135176154 |
1 |
OSCl2N4H28C31 |
ABC2D4E28F31 |
70.3 |
4.6 |
-9.06 |
-1.09 |
0 |
|
|
434988 |
135176155 |
1 |
O4N7C37H39 |
A4B7C37D39 |
-28.43 |
9.57 |
-8.6 |
-1.19 |
0 |
|
|
434989 |
135176156 |
1 |
NOC9H17 |
ABC9D17 |
-52.23 |
2.55 |
-9.51 |
-0.18 |
0 |
|
|
434990 |
135176157 |
2 |
NOC15H24 |
ABC15D24 |
-96.08 |
1.32 |
-8.39 |
0.53 |
0 |
|
|
434991 |
135176371 |
1 |
ClO2N7H30C32 |
AB2C7D30E32 |
68.2 |
6.98 |
-9.08 |
-1.19 |
0 |
|
|
434992 |
135176385 |
1 |
BrNO3C8H10 |
ABC3D8E10 |
-86.82 |
9.05 |
-9.19 |
-1.54 |
0 |
|
|
434993 |
135176415 |
1 |
F2N3O3C25H25 |
A2B3C3D25E25 |
-126.9 |
2.28 |
-8.85 |
-0.92 |
0 |
|
|
434994 |
135176480 |
1 |
N5O6C43H45 |
A5B6C43D45 |
-115.49 |
4.65 |
-9.16 |
-1.29 |
0 |
|
|
434996 |
135176510 |
1 |
N3O5C25H33 |
A3B5C25D33 |
-145.0 |
5.45 |
-8.58 |
-0.62 |
0 |
|
|
434998 |
135176657 |
1 |
NC16H21 |
AB16C21 |
12.95 |
3.47 |
-8.08 |
0.22 |
0 |
|
|
434999 |
135176767 |
1 |
FP2S2O9N11C19H24 |
AB2C2D9E11F19G24 |
-382.94 |
11.2 |
-9.33 |
-1.52 |
0 |
|
|
435000 |
135176848 |
1 |
ClO2N6C40H43 |
AB2C6D40E43 |
21.59 |
0.91 |
-8.35 |
-0.99 |
0 |
|
|
435001 |
135176909 |
1 |
S2O3N9H15C16 |
A2B3C9D15E16 |
125.73 |
5.63 |
-9.09 |
-2.93 |
0 |
|
|
435002 |
135176911 |
1 |
S2O3N9C25H25 |
A2B3C9D25E25 |
92.16 |
3.31 |
-8.64 |
-0.9 |
0 |
|
|
435003 |
135176914 |
2 |
NH16C24 |
AB16C24 |
221.6 |
4.28 |
-8.12 |
-0.57 |
0 |
|
|
435004 |
135177015 |
1 |
OF3N4C21H29 |
AB3C4D21E29 |
-93.36 |
4.14 |
-8.91 |
-0.21 |
0 |
|
|
435005 |
135177016 |
1 |
SF3O3N5C24H26 |
AB3C3D5E24F26 |
-189.44 |
6.6 |
-9.28 |
-1.27 |
0 |
|
|
435007 |
135177111 |
1 |
BrPH6C7 |
ABC6D7 |
58.93 |
1.08 |
-9.13 |
-1.1 |
0 |
|
|
435008 |
135177324 |
2 |
FN4O4C20H24 |
AB4C4D20E24 |
-367.72 |
5.16 |
-8.82 |
-1.85 |
0 |
|
|
435009 |
135177337 |
2 |
FN3O3C20H27 |
AB3C3D20E27 |
-358.6 |
10.31 |
-8.9 |
-0.35 |
0 |
|
|
435010 |
135177338 |
1 |
OC12H12 |
AB12C12 |
28.23 |
3.11 |
-9.72 |
-0.88 |
0 |
|
|
435011 |
135177371 |
1 |
IF2N8O16C58H83 |
AB2C8D16E58F83 |
-783.7 |
9.34 |
-8.85 |
-0.61 |
0 |
|
|
435012 |
135177403 |
1 |
F2N6O7C35H44 |
A2B6C7D35E44 |
-366.64 |
7.62 |
-8.7 |
-0.31 |
0 |
|
|
435013 |
135177405 |
1 |
FO2N6C24H29 |
AB2C6D24E29 |
-16.36 |
3.74 |
-8.75 |
-0.78 |
0 |
|
|
435014 |
135177416 |
1 |
O2N6C21H24 |
A2B6C21D24 |
42.63 |
5.51 |
-8.16 |
-0.8 |
0 |
|
|
435015 |
135177424 |
1 |
O2F3N6H19C20 |
A2B3C6D19E20 |
-87.77 |
5.21 |
-8.83 |
-0.9 |
0 |
|
|
435016 |
135177547 |
1 |
NSF5O5H22C27 |
ABC5D5E22F27 |
-137.94 |
4.92 |
-8.68 |
-1.63 |
0 |
|
|
435017 |
135177598 |
1 |
N2S2C13H20 |
A2B2C13D20 |
13.29 |
2.34 |
-8.52 |
-0.95 |
0 |
|
|
435018 |
135177624 |
1 |
ISO2N4C27H37 |
ABC2D4E27F37 |
-52.62 |
6.98 |
-8.89 |
-1.47 |
0 |
|
|
435019 |
135177625 |
1 |
N5C38H45 |
A5B38C45 |
121.4 |
2.36 |
-8.33 |
-0.35 |
0 |
|
|
435020 |
135177627 |
1 |
O2N3C29H39 |
A2B3C29D39 |
-76.52 |
3.6 |
-8.68 |
-0.67 |
0 |
|
|
435021 |
135177674 |
1 |
ClNF3O4C27H31 |
ABC3D4E27F31 |
-323.99 |
8.57 |
-8.78 |
-0.4 |
0 |
|
|
435022 |
135177772 |
1 |
SF2N9O12C50H63 |
AB2C9D12E50F63 |
-524.96 |
5.16 |
-8.38 |
-1.74 |
0 |
|
|
435023 |
135177803 |
2 |
NO3C10H20 |
AB3C10D20 |
-304.48 |
6.36 |
-9.95 |
0.95 |
0 |
|
|
435024 |
135177826 |
1 |
O20C73H80 |
A20B73C80 |
-726.86 |
7.37 |
-8.06 |
-0.61 |
0 |
|
|
435025 |
135177828 |
1 |
O17C79H108 |
A17B79C108 |
-738.21 |
7.46 |
-8.38 |
-0.47 |
0 |
|
|
435026 |
135177936 |
2 |
ON4C11H13 |
AB4C11D13 |
33.77 |
4.46 |
-8.43 |
-0.81 |
0 |
|
|
435027 |
135177940 |
1 |
FON9C22H26 |
ABC9D22E26 |
24.15 |
4.72 |
-8.68 |
-1.23 |
0 |
|
|
435028 |
135177976 |
1 |
ClN2O2H9C15 |
AB2C2D9E15 |
-1.2 |
3.48 |
-9.61 |
-1.88 |
0 |
|
|
435029 |
135178015 |
1 |
NC14H23 |
AB14C23 |
-30.79 |
2.46 |
-8.79 |
0.47 |
0 |
|
|
435030 |
135178041 |
2 |
FON2H8C12 |
ABC2D8E12 |
-11.64 |
3.01 |
-9.15 |
-1.3 |
0 |
|
|
435031 |
135178043 |
1 |
F3N5H16C24 |
A3B5C16D24 |
19.58 |
3.12 |
-8.51 |
-1.4 |
0 |
|
|
435032 |
135178049 |
1 |
ClF2N5H16C24 |
AB2C5D16E24 |
55.61 |
2.98 |
-8.46 |
-1.41 |
0 |
|
|
435033 |
135178087 |
1 |
FON5H18C24 |
ABC5D18E24 |
61.29 |
5.85 |
-8.54 |
-1.11 |
0 |
|
|
435034 |
135178200 |
1 |
ClNF3O4C25H27 |
ABC3D4E25F27 |
-311.42 |
9.9 |
-8.93 |
-0.88 |
0 |
|
|
435035 |
135178271 |
1 |
O4N5H21C27 |
A4B5C21D27 |
-7.25 |
5.23 |
-8.9 |
-1.87 |
0 |
|
|
435036 |
135178291 |
1 |
N5O5H21C26 |
A5B5C21D26 |
-12.02 |
10.94 |
-9.12 |
-2.1 |
0 |
|
|
435037 |
135178308 |
1 |
SN2C10H20 |
AB2C10D20 |
-20.77 |
3.09 |
-8.83 |
0.55 |
0 |
|
|
435038 |
135178427 |
1 |
S3N4H26C48 |
A3B4C26D48 |
284.76 |
1.56 |
-8.08 |
-1.83 |
0 |
|
|
435039 |
135178499 |
1 |
ON10C28H28 |
AB10C28D28 |
187.75 |
9.66 |
-8.63 |
-1.0 |
0 |
|
|
435040 |
135178530 |
1 |
N2O5C30H36 |
A2B5C30D36 |
-129.11 |
4.09 |
-8.98 |
0.05 |
0 |
|
|
435041 |
135178531 |
1 |
S2N5O9C42H53 |
A2B5C9D42E53 |
-327.56 |
5.02 |
-8.69 |
-0.93 |
0 |
|
|
435042 |
135178532 |
1 |
N3O8C39H41 |
A3B8C39D41 |
-216.88 |
3.38 |
-8.85 |
-0.66 |
0 |
|
|
435043 |
135178533 |
4 |
NO2C5H6 |
AB2C5D6 |
-197.9 |
5.95 |
-9.0 |
-1.65 |
0 |
|
|
435044 |
135178646 |
1 |
ClFON6H16C22 |
ABCD6E16F22 |
81.59 |
4.95 |
-9.25 |
-0.82 |
0 |
|
|
435045 |
135178647 |
1 |
ClON7H16C23 |
ABC7D16E23 |
159.99 |
6.81 |
-9.33 |
-1.09 |
0 |
|
|
435046 |
135178648 |
1 |
ClFON6H16C24 |
ABCD6E16F24 |
101.51 |
6.64 |
-9.33 |
-1.02 |
0 |
|
|
435047 |
135178649 |
1 |
ON5F6H21C23 |
AB5C6D21E23 |
-236.21 |
2.4 |
-9.15 |
-1.27 |
0 |
|
|
435048 |
135178696 |
1 |
ON2H18C22 |
AB2C18D22 |
69.27 |
1.22 |
-8.88 |
-0.7 |
0 |
|
|
435049 |
135178725 |
1 |
SN3O3C21H27 |
AB3C3D21E27 |
-55.61 |
4.81 |
-8.02 |
-0.82 |
0 |
|
|
435050 |
135178846 |
1 |
N4F9H13C36 |
A4B9C13D36 |
-203.97 |
9.41 |
-9.91 |
-2.65 |
0 |
|
|
435051 |
135178892 |
1 |
O3N4C20H22 |
A3B4C20D22 |
-68.91 |
9.04 |
-8.88 |
-0.62 |
0 |
|
|
435052 |
135178894 |
1 |
FN2O3C16H29 |
AB2C3D16E29 |
-243.77 |
4.11 |
-9.69 |
0.34 |
0 |
|
|
435053 |
135178977 |
1 |
O2F3H9C18 |
A2B3C9D18 |
-165.98 |
4.82 |
-9.37 |
-1.57 |
0 |
|
|
435054 |
135178978 |
1 |
O2F3H9C18 |
A2B3C9D18 |
-165.05 |
3.23 |
-9.29 |
-1.68 |
0 |
|
|
435055 |
135178979 |
1 |
NOC15H27 |
ABC15D27 |
-56.0 |
1.84 |
-8.28 |
0.72 |
0 |
|
|
435056 |
135179026 |
1 |
FN2C11H23 |
AB2C11D23 |
-87.91 |
2.34 |
-8.72 |
2.37 |
0 |
|
|
435057 |
135179097 |
1 |
ClFNOC18H19 |
ABCDE18F19 |
-64.48 |
3.43 |
-9.58 |
-0.98 |
0 |
|
|
435058 |
135179158 |
1 |
OF6N6H14C23 |
AB6C6D14E23 |
-158.93 |
7.12 |
-9.44 |
-1.18 |
0 |
|
|
435059 |
135179234 |
2 |
O4N5C35H48 |
A4B5C35D48 |
-319.9 |
8.48 |
-9.19 |
0.15 |
0 |
|
|
435060 |
135179386 |
2 |
NO2C14H16 |
AB2C14D16 |
-142.07 |
8.92 |
-8.38 |
-1.08 |
0 |
|
|
435061 |
135179388 |
2 |
NOC4H8 |
ABC4D8 |
-107.48 |
2.53 |
-9.24 |
0.98 |
0 |
|
|
435062 |
135179391 |
1 |
S3N12O12C83H104 |
A3B12C12D83E104 |
-432.71 |
8.55 |
-9.12 |
-0.8 |
0 |
|
|
435063 |
135179428 |
1 |
SO8N9C65H85 |
AB8C9D65E85 |
-286.85 |
6.05 |
-8.28 |
-0.94 |
0 |
|
|
435064 |
135179434 |
1 |
N5O11C50H63 |
A5B11C50D63 |
-421.65 |
10.69 |
-8.32 |
-1.72 |
0 |
|
|
435065 |
135179447 |
1 |
ClFO3N6C30H32 |
ABC3D6E30F32 |
-71.62 |
7.57 |
-8.48 |
-0.66 |
0 |
|
|
435066 |
135179461 |
1 |
NOSC9H11 |
ABCD9E11 |
-17.35 |
3.42 |
-9.31 |
-0.39 |
0 |
|
|
435067 |
135179523 |
1 |
SN2O3C23H44 |
AB2C3D23E44 |
-118.64 |
4.04 |
-8.31 |
0.94 |
0 |
|
|
435068 |
135179524 |
1 |
NO6C36H39 |
AB6C36D39 |
-151.28 |
4.3 |
-8.83 |
-0.45 |
0 |
|
|
435069 |
135179525 |
1 |
ClF2N5O7H38C40 |
AB2C5D7E38F40 |
-256.9 |
1.96 |
-8.7 |
-0.66 |
0 |
|
|
435070 |
135179526 |
1 |
NC23H49 |
AB23C49 |
-105.17 |
1.33 |
-8.67 |
3.12 |
0 |
|
|
435071 |
135179549 |
1 |
FC14H17 |
AB14C17 |
-40.62 |
1.36 |
-9.43 |
0.12 |
0 |
|
|
435072 |
135179670 |
1 |
SN7O15C59H65 |
AB7C15D59E65 |
-451.58 |
4.05 |
-8.49 |
-1.82 |
0 |
|
|
435073 |
135179780 |
1 |
O3N5C8H13 |
A3B5C8D13 |
-65.35 |
4.49 |
-9.12 |
-0.86 |
0 |
|
|
435074 |
135179794 |
1 |
Cl3N3O3H10C15 |
A3B3C3D10E15 |
-51.22 |
8.58 |
-9.2 |
-1.38 |
0 |
|
|
435075 |
135179899 |
1 |
ClN2O2F3C11H14 |
AB2C2D3E11F14 |
-234.93 |
3.18 |
-10.02 |
-1.42 |
0 |
|
|
435076 |
135179916 |
1 |
F2O4N6C25H26 |
A2B4C6D25E26 |
-117.95 |
3.0 |
-8.44 |
-1.07 |
0 |
|
|
435077 |
135179958 |
1 |
Cl2F2O2N3H17C18 |
A2B2C2D3E17F18 |
-102.26 |
3.81 |
-8.66 |
-1.17 |
0 |
|
|
435078 |
135179998 |
1 |
Cl2F2O3N4C25H26 |
A2B2C3D4E25F26 |
-177.64 |
2.29 |
-8.29 |
-0.93 |
0 |
|
|
435079 |
135179999 |
1 |
FO2N4C17H17 |
AB2C4D17E17 |
-49.74 |
3.35 |
-8.15 |
-0.75 |
0 |
|
|
435080 |
135180000 |
1 |
O3N5C24H31 |
A3B5C24D31 |
-48.41 |
3.77 |
-7.98 |
-0.7 |
0 |
|
|
435081 |
135180024 |
1 |
Cl2O3N6C27H34 |
A2B3C6D27E34 |
-58.41 |
3.66 |
-8.16 |
-0.76 |
0 |
|
|
435082 |
135180090 |
1 |
Cl2N5O5C30H35 |
A2B5C5D30E35 |
-133.25 |
5.32 |
-8.47 |
-1.05 |
0 |
|
|
435083 |
135180137 |
1 |
Cl2N4O5C23H24 |
A2B4C5D23E24 |
-124.25 |
7.19 |
-8.62 |
-1.13 |
0 |
|
|
435084 |
135180138 |
1 |
F2N5O5C23H23 |
A2B5C5D23E23 |
-180.68 |
4.29 |
-8.73 |
-1.22 |
0 |