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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
445995 |
135271204 |
1 |
PN7O7C25H36 |
AB7C7D25E36 |
-311.23 |
4.83 |
-8.51 |
-0.06 |
0 |
|
|
445997 |
135271247 |
2 |
N3O4C17H25 |
A3B4C17D25 |
-354.58 |
5.03 |
-9.63 |
-1.52 |
0 |
|
|
445998 |
135271248 |
2 |
NOC13H13 |
ABC13D13 |
8.17 |
1.21 |
-8.0 |
-0.31 |
0 |
|
|
445999 |
135271249 |
1 |
NOC23H49 |
ABC23D49 |
-157.9 |
2.63 |
-8.71 |
2.88 |
0 |
|
|
446000 |
135271251 |
1 |
O2N4H22C23 |
A2B4C22D23 |
28.19 |
4.64 |
-8.72 |
-0.56 |
0 |
|
|
446001 |
135271252 |
1 |
OC12H22 |
AB12C22 |
-77.64 |
3.01 |
-9.57 |
0.87 |
0 |
|
|
446002 |
135271253 |
1 |
O2N5H21C22 |
A2B5C21D22 |
30.15 |
5.96 |
-8.89 |
-0.57 |
0 |
|
|
446003 |
135271255 |
1 |
OC13H26 |
AB13C26 |
-101.09 |
2.98 |
-9.48 |
0.9 |
0 |
|
|
446004 |
135271261 |
1 |
N3O4C23H25 |
A3B4C23D25 |
-103.15 |
4.89 |
-9.13 |
-0.67 |
0 |
|
|
446005 |
135271374 |
1 |
ON4H20C22 |
AB4C20D22 |
82.46 |
7.92 |
-8.52 |
-0.67 |
0 |
|
|
446006 |
135271390 |
2 |
ON3H7C9 |
AB3C7D9 |
73.45 |
3.16 |
-8.98 |
-1.11 |
0 |
|
|
446007 |
135271391 |
1 |
O2F3N6H11C18 |
A2B3C6D11E18 |
-72.58 |
7.42 |
-9.09 |
-1.6 |
0 |
|
|
446008 |
135271403 |
1 |
FON6C21H21 |
ABC6D21E21 |
46.71 |
3.18 |
-8.9 |
-1.34 |
0 |
|
|
446009 |
135271405 |
1 |
O2N4C21H22 |
A2B4C21D22 |
37.68 |
4.29 |
-8.26 |
-1.26 |
0 |
|
|
446010 |
135271491 |
1 |
NF2C10H19 |
AB2C10D19 |
-139.11 |
3.49 |
-8.79 |
2.22 |
0 |
|
|
446011 |
135271507 |
1 |
FO3N6C28H29 |
AB3C6D28E29 |
-81.71 |
6.37 |
-8.94 |
-0.71 |
0 |
|
|
446012 |
135271510 |
1 |
FO3N6H29C30 |
AB3C6D29E30 |
-70.41 |
4.13 |
-8.3 |
-1.14 |
0 |
|
|
446013 |
135271511 |
1 |
FN3O3C19H22 |
AB3C3D19E22 |
-148.56 |
8.65 |
-8.89 |
-0.72 |
0 |
|
|
446014 |
135271512 |
1 |
FO3N6C28H29 |
AB3C6D28E29 |
-77.86 |
10.74 |
-8.53 |
-1.13 |
0 |
|
|
446015 |
135271555 |
1 |
PSO3N5C11H16 |
ABC3D5E11F16 |
-151.54 |
3.72 |
-9.0 |
-0.43 |
0 |
|
|
446016 |
135271556 |
1 |
O5N8C17H22 |
A5B8C17D22 |
-68.5 |
11.16 |
-9.09 |
-0.55 |
0 |
|
|
446017 |
135271562 |
1 |
FO5N7C27H30 |
AB5C7D27E30 |
-105.09 |
7.61 |
-8.94 |
-1.19 |
0 |
|
|
446018 |
135271613 |
1 |
N7O8C32H37 |
A7B8C32D37 |
-233.87 |
2.91 |
-8.8 |
-0.65 |
0 |
|
|
446019 |
135271614 |
1 |
N7O7C24H29 |
A7B7C24D29 |
-224.33 |
3.34 |
-8.98 |
-0.63 |
0 |
|
|
446020 |
135271617 |
2 |
N3O3C11H14 |
A3B3C11D14 |
-185.98 |
5.22 |
-8.8 |
-0.45 |
0 |
|
|
446021 |
135271619 |
1 |
N5O6C27H27 |
A5B6C27D27 |
-147.05 |
4.98 |
-8.96 |
-0.98 |
0 |
|
|
446022 |
135271620 |
1 |
N8H14C21 |
A8B14C21 |
252.44 |
6.43 |
-8.79 |
-2.34 |
0 |
|
|
446023 |
135271622 |
1 |
O2N9C29H31 |
A2B9C29D31 |
104.44 |
9.58 |
-7.93 |
-1.9 |
0 |
|
|
446024 |
135271623 |
1 |
SCl3N6O8C33H35 |
AB3C6D8E33F35 |
-255.2 |
5.47 |
-8.78 |
-0.79 |
0 |
|
|
446025 |
135271633 |
1 |
O2C9H20 |
A2B9C20 |
-134.19 |
3.99 |
-10.24 |
2.67 |
0 |
|
|
446026 |
135271636 |
1 |
SN4O6C28H30 |
AB4C6D28E30 |
-145.56 |
4.08 |
-8.73 |
-1.17 |
0 |
|
|
446027 |
135271639 |
1 |
OC13H20 |
AB13C20 |
-57.38 |
1.8 |
-8.45 |
0.47 |
0 |
|
|
446028 |
135271681 |
1 |
NH35C51 |
AB35C51 |
220.89 |
0.82 |
-8.01 |
-0.64 |
0 |
|
|
446029 |
135271682 |
1 |
NH39C57 |
AB39C57 |
243.56 |
0.61 |
-7.98 |
-0.61 |
0 |
|
|
446030 |
135271728 |
1 |
NOH41C63 |
ABC41D63 |
241.82 |
1.72 |
-7.89 |
-0.71 |
0 |
|
|
446031 |
135271754 |
1 |
NS2H35C56 |
AB2C35D56 |
238.69 |
1.37 |
-8.07 |
-0.67 |
0 |
|
|
446032 |
135271758 |
1 |
NH39C57 |
AB39C57 |
233.06 |
1.45 |
-8.04 |
-0.68 |
0 |
|
|
446033 |
135271804 |
1 |
NOH37C56 |
ABC37D56 |
207.77 |
0.95 |
-8.01 |
-0.66 |
0 |
|
|
446034 |
135271805 |
2 |
NH16C25 |
AB16C25 |
219.95 |
2.16 |
-7.96 |
-0.75 |
0 |
|
|
446035 |
135271807 |
2 |
NH15C22 |
AB15C22 |
199.91 |
2.1 |
-7.87 |
-0.68 |
0 |
|
|
446036 |
135271842 |
1 |
ON2H32C50 |
AB2C32D50 |
197.32 |
3.08 |
-7.98 |
-0.75 |
0 |
|
|
446037 |
135271846 |
1 |
N2O6C19H30 |
A2B6C19D30 |
-238.44 |
4.32 |
-8.96 |
-0.1 |
0 |
|
|
446038 |
135271875 |
1 |
N3O4C25H43 |
A3B4C25D43 |
-226.52 |
5.34 |
-9.36 |
-0.04 |
0 |
|
|
446039 |
135271882 |
2 |
NOH7C8 |
ABC7D8 |
-21.34 |
6.0 |
-8.76 |
-1.0 |
0 |
|
|
446040 |
135271926 |
1 |
SN6O6C26H42 |
AB6C6D26E42 |
-302.14 |
2.32 |
-8.91 |
-0.17 |
0 |
|
|
446041 |
135271927 |
1 |
SN4O5C21H32 |
AB4C5D21E32 |
-241.41 |
5.22 |
-8.82 |
-0.19 |
0 |
|
|
446042 |
135271929 |
1 |
NPSO2C10H20 |
ABCD2E10F20 |
-113.56 |
5.4 |
-9.01 |
-0.04 |
0 |
|
|
446043 |
135271930 |
1 |
NOSC8H19 |
ABCD8E19 |
-74.97 |
2.88 |
-8.68 |
0.61 |
0 |
|
|
446044 |
135271957 |
1 |
ON2C10H14 |
AB2C10D14 |
5.44 |
1.01 |
-8.68 |
-0.04 |
0 |
|
|
446045 |
135271959 |
1 |
NO4C14H29 |
AB4C14D29 |
-211.43 |
1.76 |
-9.04 |
1.66 |
0 |
|
|
446046 |
135271961 |
1 |
NO2C6H13 |
AB2C6D13 |
-104.15 |
2.17 |
-9.13 |
1.89 |
0 |
|
|
446047 |
135271963 |
1 |
N3S3O8C40H61 |
A3B3C8D40E61 |
-261.42 |
3.68 |
-8.45 |
-0.93 |
0 |
|
|
446048 |
135271967 |
1 |
N3S3O14C56H75 |
A3B3C14D56E75 |
-441.24 |
10.22 |
-7.86 |
-0.89 |
0 |
|
|
446049 |
135272033 |
1 |
OSH14C15 |
ABC14D15 |
70.33 |
2.57 |
-8.78 |
-0.86 |
0 |
|
|
446050 |
135272042 |
1 |
PSO3C8H19 |
ABC3D8E19 |
-244.76 |
1.44 |
-9.3 |
0.1 |
0 |
|
|
446051 |
135272049 |
1 |
NSO4C25H31 |
ABC4D25E31 |
-143.36 |
3.42 |
-8.09 |
-0.48 |
0 |
|
|
446052 |
135272050 |
1 |
NO3C12H17 |
AB3C12D17 |
-110.3 |
2.68 |
-10.11 |
-1.45 |
0 |
|
|
446053 |
135272055 |
1 |
NO2C41H63 |
AB2C41D63 |
-138.24 |
2.01 |
-9.26 |
-1.48 |
0 |
|
|
446054 |
135272056 |
1 |
NO2C30H41 |
AB2C30D41 |
-87.91 |
1.69 |
-9.26 |
-1.53 |
0 |
|
|
446055 |
135272067 |
1 |
ClSN11O12C61H76 |
ABC11D12E61F76 |
-440.85 |
6.95 |
-8.27 |
-1.35 |
0 |
|
|
446056 |
135272078 |
1 |
FON7H26C30 |
ABC7D26E30 |
90.76 |
8.95 |
-8.42 |
-1.91 |
0 |
|
|
446057 |
135272080 |
1 |
FN6H17C25 |
AB6C17D25 |
156.89 |
4.93 |
-8.53 |
-2.05 |
0 |
|
|
446058 |
135272082 |
1 |
FON7H24C29 |
ABC7D24E29 |
98.06 |
9.81 |
-8.42 |
-1.91 |
0 |
|
|
446059 |
135272084 |
1 |
FON7H24C33 |
ABC7D24E33 |
134.32 |
9.2 |
-8.43 |
-1.93 |
0 |
|
|
446060 |
135272092 |
1 |
FON7H22C29 |
ABC7D22E29 |
130.21 |
9.78 |
-8.43 |
-1.92 |
0 |
|
|
446061 |
135272096 |
1 |
FON7H28C32 |
ABC7D28E32 |
91.12 |
9.8 |
-8.42 |
-1.91 |
0 |
|
|
446062 |
135272098 |
1 |
F3N7H24C30 |
A3B7C24D30 |
45.49 |
7.05 |
-8.56 |
-2.07 |
0 |
|
|
446063 |
135272107 |
1 |
FN6H17C25 |
AB6C17D25 |
157.63 |
7.11 |
-8.57 |
-2.07 |
0 |
|
|
446064 |
135272110 |
1 |
FON7H28C31 |
ABC7D28E31 |
114.08 |
9.44 |
-8.47 |
-1.95 |
0 |
|
|
446065 |
135272111 |
1 |
FON6H19C26 |
ABC6D19E26 |
119.14 |
8.42 |
-8.48 |
-1.98 |
0 |
|
|
446066 |
135272114 |
1 |
FON7H26C30 |
ABC7D26E30 |
113.89 |
8.12 |
-8.5 |
-1.99 |
0 |
|
|
446067 |
135272133 |
1 |
OF3N3H22C27 |
AB3C3D22E27 |
-79.42 |
9.45 |
-9.0 |
-1.38 |
0 |
|
|
446068 |
135272137 |
1 |
ClF3N3H9C14 |
AB3C3D9E14 |
-65.0 |
6.99 |
-9.4 |
-1.59 |
0 |
|
|
446069 |
135272142 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-84.55 |
5.58 |
-8.25 |
-0.51 |
0 |
|
|
446070 |
135272143 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-81.62 |
3.97 |
-8.43 |
-0.56 |
0 |
|
|
446071 |
135272144 |
1 |
SN4O5H12C13 |
AB4C5D12E13 |
-2.57 |
8.26 |
-9.41 |
-1.84 |
0 |
|
|
446072 |
135272148 |
1 |
ClO2N4C23H29 |
AB2C4D23E29 |
-52.33 |
6.86 |
-8.32 |
-0.34 |
0 |
|
|
446073 |
135272156 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-74.11 |
6.15 |
-8.32 |
-0.45 |
0 |
|
|
446074 |
135272166 |
1 |
N2O2C21H28 |
A2B2C21D28 |
-81.4 |
3.0 |
-8.44 |
-0.71 |
0 |
|
|
446075 |
135272173 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-77.25 |
7.54 |
-8.53 |
-0.76 |
0 |
|
|
446076 |
135272178 |
1 |
ON4C18H26 |
AB4C18D26 |
-19.85 |
3.61 |
-8.36 |
-0.43 |
0 |
|
|
446077 |
135272199 |
1 |
ClSO2N4H11C13 |
ABC2D4E11F13 |
18.0 |
6.04 |
-9.79 |
-1.03 |
0 |
|
|
446078 |
135272215 |
1 |
ClSO2N3H14C15 |
ABC2D3E14F15 |
-16.47 |
3.56 |
-8.93 |
-0.91 |
0 |
|
|
446079 |
135272225 |
1 |
S2O3N4C26H26 |
A2B3C4D26E26 |
-12.05 |
4.5 |
-8.88 |
-1.46 |
0 |
|
|
446080 |
135272230 |
1 |
FN4O4H11C14 |
AB4C4D11E14 |
-92.68 |
6.4 |
-9.36 |
-1.06 |
0 |
|
|
446081 |
135272245 |
1 |
N3O3C17H17 |
A3B3C17D17 |
-17.97 |
4.36 |
-9.05 |
-0.76 |
0 |
|
|
446082 |
135272252 |
1 |
O3N4H14C15 |
A3B4C14D15 |
17.32 |
5.33 |
-9.05 |
-0.92 |
0 |
|
|
446083 |
135272266 |
1 |
OSN4F6H10C17 |
ABC4D6E10F17 |
-263.26 |
5.03 |
-9.52 |
-1.27 |
0 |
|
|
446084 |
135272268 |
1 |
OSN6H10C17 |
ABC6D10E17 |
123.02 |
5.03 |
-9.51 |
-1.51 |
0 |
|
|
446085 |
135272271 |
1 |
NO3C8H9 |
AB3C8D9 |
-47.65 |
3.84 |
-10.62 |
-0.32 |
0 |
|
|
446086 |
135272281 |
1 |
IN2O10C36H53 |
AB2C10D36E53 |
-454.09 |
6.76 |
-9.66 |
-1.22 |
0 |
|
|
446087 |
135272289 |
1 |
N6O10C21H42 |
A6B10C21D42 |
-457.19 |
4.0 |
-9.52 |
0.41 |
0 |
|
|
446088 |
135272290 |
1 |
N5O10C21H41 |
A5B10C21D41 |
-461.57 |
3.58 |
-9.59 |
0.46 |
0 |
|
|
446089 |
135272294 |
1 |
N6O13C50H62 |
A6B13C50D62 |
-451.57 |
1.86 |
-9.52 |
-0.76 |
0 |
|
|
446090 |
135272307 |
1 |
N6O15C46H60 |
A6B15C46D60 |
-570.71 |
3.9 |
-9.43 |
-0.24 |
0 |
|
|
446091 |
135272327 |
1 |
N3O13C48H65 |
A3B13C48D65 |
-568.59 |
4.84 |
-9.37 |
0.03 |
0 |
|
|
446092 |
135272329 |
1 |
IN3O15C46H60 |
AB3C15D46E60 |
-633.0 |
1.91 |
-9.43 |
-1.22 |
0 |
|
|
446093 |
135272331 |
1 |
N5O9C21H41 |
A5B9C21D41 |
-423.35 |
4.74 |
-9.36 |
0.78 |
0 |
|
|
446094 |
135272337 |
3 |
NO4C14H19 |
AB4C14D19 |
-518.59 |
3.8 |
-9.48 |
-0.1 |
0 |
|
|
446095 |
135272345 |
1 |
FN5O9C21H40 |
AB5C9D21E40 |
-465.65 |
4.59 |
-9.58 |
0.68 |
0 |