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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
435085 |
135180139 |
1 |
SCl2N4O4C22H22 |
AB2C4D4E22F22 |
-81.65 |
5.4 |
-8.78 |
-0.84 |
0 |
|
|
435086 |
135180140 |
1 |
SCl2O3N4H20C24 |
AB2C3D4E20F24 |
-12.25 |
3.81 |
-8.51 |
-0.56 |
0 |
|
|
435087 |
135180141 |
1 |
SCl2N4O4C22H22 |
AB2C4D4E22F22 |
-80.57 |
3.86 |
-8.7 |
-0.86 |
0 |
|
|
435088 |
135180142 |
1 |
SCl2N3O3H15C18 |
AB2C3D3E15F18 |
-34.06 |
5.98 |
-8.89 |
-1.14 |
0 |
|
|
435089 |
135180272 |
1 |
SCl2O3N5H21C22 |
AB2C3D5E21F22 |
0.87 |
4.26 |
-8.55 |
-1.3 |
0 |
|
|
435090 |
135180273 |
1 |
SCl2O3N5H19C21 |
AB2C3D5E19F21 |
-2.71 |
4.45 |
-8.61 |
-1.36 |
0 |
|
|
435091 |
135180274 |
1 |
SCl2O3N5H21C23 |
AB2C3D5E21F23 |
2.51 |
5.08 |
-8.61 |
-1.36 |
0 |
|
|
435092 |
135180275 |
1 |
SF2N3O3H13C16 |
AB2C3D3E13F16 |
-124.6 |
7.7 |
-8.51 |
-1.22 |
0 |
|
|
435093 |
135180276 |
1 |
SF2N2O4H12C16 |
AB2C2D4E12F16 |
-152.72 |
5.07 |
-8.74 |
-1.57 |
0 |
|
|
435094 |
135180277 |
1 |
SF2N3O3C17H17 |
AB2C3D3E17F17 |
-111.72 |
5.73 |
-8.64 |
-0.67 |
0 |
|
|
435095 |
135180278 |
1 |
ClSO2F3N3H17C19 |
ABC2D3E3F17G19 |
-167.29 |
3.19 |
-8.86 |
-1.54 |
0 |
|
|
435096 |
135180326 |
1 |
Cl2O4N7H21C23 |
A2B4C7D21E23 |
-9.89 |
4.5 |
-8.37 |
-1.1 |
0 |
|
|
435097 |
135180342 |
1 |
Cl2O5N6C27H30 |
A2B5C6D27E30 |
-114.82 |
5.52 |
-8.3 |
-0.85 |
0 |
|
|
435098 |
135180411 |
1 |
NO3C16H21 |
AB3C16D21 |
-86.81 |
5.16 |
-8.85 |
-0.76 |
0 |
|
|
435099 |
135180412 |
1 |
O9N10C57H62 |
A9B10C57D62 |
-204.2 |
7.03 |
-8.6 |
-0.97 |
0 |
|
|
435100 |
135180413 |
1 |
S3O12N14C73H84 |
A3B12C14D73E84 |
-247.11 |
5.49 |
-9.26 |
-0.99 |
0 |
|
|
435101 |
135180415 |
1 |
O4N6C25H50 |
A4B6C25D50 |
-199.66 |
6.92 |
-8.46 |
0.91 |
0 |
|
|
435102 |
135180416 |
1 |
F2N3O3C19H21 |
A2B3C3D19E21 |
-122.4 |
2.0 |
-8.64 |
-1.08 |
0 |
|
|
435103 |
135180464 |
1 |
Cl2F2O4N5C27H27 |
A2B2C4D5E27F27 |
-179.48 |
6.23 |
-8.47 |
-1.1 |
0 |
|
|
435104 |
135180610 |
1 |
Cl2N2O3H14C15 |
A2B2C3D14E15 |
-35.99 |
3.75 |
-8.66 |
-1.15 |
0 |
|
|
435105 |
135180612 |
1 |
Cl2N5O5C24H25 |
A2B5C5D24E25 |
-108.2 |
5.02 |
-8.4 |
-0.84 |
0 |
|
|
435106 |
135180630 |
2 |
Cl2O4N7C26H26 |
A2B4C7D26E26 |
-62.2 |
7.68 |
-8.4 |
-0.98 |
0 |
|
|
435107 |
135180743 |
1 |
Cl2O4N6C27H30 |
A2B4C6D27E30 |
-70.26 |
3.71 |
-8.35 |
-0.94 |
0 |
|
|
435108 |
135180821 |
2 |
ClO2N3C15H15 |
AB2C3D15E15 |
-51.04 |
3.39 |
-8.14 |
-0.78 |
0 |
|
|
435109 |
135180877 |
1 |
Cl2O5N6C29H32 |
A2B5C6D29E32 |
-98.68 |
3.92 |
-8.33 |
-0.83 |
0 |
|
|
435110 |
135180887 |
1 |
Cl2F2O10N12C57H64 |
A2B2C10D12E57F64 |
-295.41 |
6.28 |
-8.27 |
-1.06 |
0 |
|
|
435111 |
135180889 |
2 |
ClFO5N6C27H29 |
ABC5D6E27F29 |
-290.8 |
10.12 |
-8.38 |
-1.25 |
0 |
|
|
435112 |
135180892 |
1 |
N2O4C15H16 |
A2B4C15D16 |
-113.08 |
2.52 |
-8.59 |
-0.81 |
0 |
|
|
435113 |
135180893 |
1 |
N3O4H13C15 |
A3B4C13D15 |
-108.16 |
1.96 |
-9.05 |
-1.47 |
0 |
|
|
435114 |
135180894 |
2 |
Cl2O5N6C28H31 |
A2B5C6D28E31 |
-227.65 |
3.68 |
-8.41 |
-1.29 |
0 |
|
|
435115 |
135180917 |
1 |
ClN3O3C22H24 |
AB3C3D22E24 |
-43.96 |
3.95 |
-8.46 |
-0.76 |
0 |
|
|
435116 |
135180989 |
1 |
Cl2O4N6C27H32 |
A2B4C6D27E32 |
-64.09 |
2.02 |
-8.04 |
-0.75 |
0 |
|
|
435117 |
135181011 |
1 |
Cl2O4N5C26H27 |
A2B4C5D26E27 |
-57.84 |
3.72 |
-8.41 |
-1.0 |
0 |
|
|
435118 |
135181034 |
1 |
Cl2O3N5C26H27 |
A2B3C5D26E27 |
-30.89 |
3.37 |
-8.32 |
-0.98 |
0 |
|
|
435119 |
135181035 |
1 |
ClF2O2N3C22H22 |
AB2C2D3E22F22 |
-127.71 |
1.12 |
-8.54 |
-0.98 |
0 |
|
|
435120 |
135181099 |
1 |
F2Cl4O9N12C53H54 |
A2B4C9D12E53F54 |
-270.75 |
6.36 |
-8.2 |
-1.19 |
0 |
|
|
435121 |
135181169 |
1 |
ClO3N4C21H23 |
AB3C4D21E23 |
-33.76 |
4.19 |
-8.26 |
-0.79 |
0 |
|
|
435122 |
135181298 |
1 |
O8C45H92 |
A8B45C92 |
-543.24 |
4.77 |
-9.1 |
2.13 |
0 |
|
|
435123 |
135181299 |
1 |
ON4H100C168 |
AB4C100D168 |
737.78 |
3.42 |
-7.76 |
-0.98 |
0 |
|
|
435124 |
135181300 |
2 |
N3H50C80 |
A3B50C80 |
729.3 |
3.19 |
-8.06 |
-0.61 |
0 |
|
|
435125 |
135181301 |
1 |
ClSN3O5F9H19C24 |
ABC3D5E9F19G24 |
-587.54 |
1.22 |
-10.12 |
-1.36 |
0 |
|
|
435126 |
135181302 |
1 |
N2H50C73 |
A2B50C73 |
297.94 |
2.42 |
-8.1 |
-0.58 |
0 |
|
|
435127 |
135181304 |
1 |
SCl2F4N4O6H26C29 |
AB2C4D4E6F26G29 |
-340.92 |
8.49 |
-9.66 |
-1.25 |
0 |
|
|
435128 |
135181305 |
2 |
ON2H45C74 |
AB2C45D74 |
595.05 |
1.3 |
-7.96 |
-0.66 |
0 |
|
|
435129 |
135181306 |
1 |
SN5C18H21 |
AB5C18D21 |
95.83 |
6.59 |
-9.31 |
-1.01 |
0 |
|
|
435130 |
135181307 |
1 |
SCl2F4N4O6C30H30 |
AB2C4D4E6F30G30 |
-357.51 |
9.13 |
-9.83 |
-1.04 |
0 |
|
|
435131 |
135181434 |
1 |
OSN5C19H21 |
ABC5D19E21 |
41.32 |
8.82 |
-8.75 |
-1.31 |
0 |
|
|
435132 |
135181435 |
1 |
Cl2O3N6C22H24 |
A2B3C6D22E24 |
4.85 |
6.25 |
-8.2 |
-1.31 |
0 |
|
|
435133 |
135181436 |
1 |
OSN5C16H19 |
ABC5D16E19 |
65.32 |
12.09 |
-8.62 |
-0.9 |
0 |
|
|
435134 |
135181437 |
1 |
F2O5N6C27H30 |
A2B5C6D27E30 |
-177.41 |
4.43 |
-8.13 |
-0.84 |
0 |
|
|
435135 |
135181438 |
1 |
O3F4N5C23H23 |
A3B4C5D23E23 |
-206.46 |
4.39 |
-8.47 |
-1.1 |
0 |
|
|
435136 |
135181466 |
1 |
OSN2C5H10 |
ABC2D5E10 |
-32.08 |
2.12 |
-9.14 |
-0.06 |
0 |
|
|
435137 |
135181583 |
1 |
BrON3C17H20 |
ABC3D17E20 |
-14.35 |
4.17 |
-9.32 |
-0.94 |
0 |
|
|
435138 |
135181585 |
1 |
N2H8C9 |
A2B8C9 |
74.31 |
2.87 |
-10.05 |
-0.45 |
0 |
|
|
435139 |
135181592 |
1 |
OSF2N5H15C17 |
ABC2D5E15F17 |
-42.24 |
9.32 |
-9.3 |
-1.56 |
0 |
|
|
435140 |
135181699 |
1 |
FOSN4H13C19 |
ABCD4E13F19 |
29.56 |
6.53 |
-9.58 |
-1.51 |
0 |
|
|
435141 |
135181725 |
1 |
OF2N9C24H25 |
AB2C9D24E25 |
20.12 |
6.59 |
-8.64 |
-1.1 |
0 |
|
|
435142 |
135181790 |
1 |
O4N5C28H35 |
A4B5C28D35 |
-117.6 |
5.0 |
-9.46 |
-0.72 |
0 |
|
|
435143 |
135181983 |
1 |
SO2N4C19H24 |
AB2C4D19E24 |
-1.83 |
9.29 |
-9.45 |
-1.14 |
0 |
|
|
435144 |
135181987 |
1 |
N3C16H35 |
A3B16C35 |
-36.22 |
1.64 |
-8.51 |
2.64 |
0 |
|
|
435145 |
135181988 |
1 |
ON2C13H28 |
AB2C13D28 |
-64.95 |
2.39 |
-8.39 |
2.29 |
0 |
|
|
435146 |
135181989 |
1 |
ON2C14H30 |
AB2C14D30 |
-71.28 |
2.15 |
-8.36 |
2.32 |
0 |
|
|
435147 |
135181990 |
1 |
FSO2N5C21H26 |
ABC2D5E21F26 |
-49.92 |
11.51 |
-9.45 |
-1.17 |
0 |
|
|
435148 |
135182118 |
1 |
N3F4O4H17C23 |
A3B4C4D17E23 |
-264.55 |
4.12 |
-9.59 |
-1.68 |
0 |
|
|
435149 |
135182120 |
1 |
SN3F4O4H17C24 |
AB3C4D4E17F24 |
-236.56 |
4.71 |
-9.76 |
-1.84 |
0 |
|
|
435150 |
135182122 |
1 |
FON4C14H19 |
ABC4D14E19 |
-18.22 |
6.44 |
-9.63 |
-0.1 |
0 |
|
|
435151 |
135182123 |
1 |
FON3C15H20 |
ABC3D15E20 |
-34.09 |
4.52 |
-9.23 |
0.0 |
0 |
|
|
435152 |
135182124 |
1 |
N5C12H21 |
A5B12C21 |
36.18 |
3.76 |
-8.61 |
-0.02 |
0 |
|
|
435153 |
135182125 |
1 |
ON5C10H15 |
AB5C10D15 |
1.37 |
3.78 |
-8.8 |
-0.63 |
0 |
|
|
435154 |
135182126 |
1 |
ClF2N4H13C16 |
AB2C4D13E16 |
-17.46 |
5.7 |
-9.16 |
-1.34 |
0 |
|
|
435155 |
135182262 |
1 |
NO2H11C15 |
AB2C11D15 |
35.1 |
3.2 |
-8.9 |
-1.16 |
0 |
|
|
435156 |
135182416 |
1 |
ON2C11H24 |
AB2C11D24 |
-61.72 |
1.56 |
-8.69 |
2.01 |
0 |
|
|
435157 |
135182441 |
4 |
OC3H5 |
AB3C5 |
-190.15 |
6.22 |
-10.18 |
0.74 |
0 |
|
|
435158 |
135182478 |
1 |
SF3O4N5C13H20 |
AB3C4D5E13F20 |
-325.21 |
5.6 |
-9.16 |
-0.17 |
0 |
|
|
435159 |
135182490 |
1 |
NOC14H25 |
ABC14D25 |
-62.12 |
2.92 |
-8.8 |
0.7 |
0 |
|
|
435160 |
135182505 |
1 |
FOC15H19 |
ABC15D19 |
-62.21 |
0.31 |
-8.94 |
0.03 |
0 |
|
|
435161 |
135182795 |
1 |
N2C13H18 |
A2B13C18 |
9.73 |
3.46 |
-8.54 |
0.04 |
0 |
|
|
435162 |
135182855 |
1 |
ClFN6O9C32H34 |
ABC6D9E32F34 |
-318.87 |
8.12 |
-9.06 |
-0.65 |
0 |
|
|
435163 |
135182856 |
1 |
ClN5O7C21H22 |
AB5C7D21E22 |
-214.6 |
2.59 |
-9.4 |
-0.93 |
0 |
|
|
435164 |
135182909 |
1 |
S2N4O10C81H152 |
A2B4C10D81E152 |
-696.85 |
3.55 |
-8.65 |
-0.14 |
0 |
|
|
435165 |
135182923 |
1 |
OSCl2N6H18C22 |
ABC2D6E18F22 |
88.02 |
2.76 |
-8.58 |
-1.36 |
0 |
|
|
435166 |
135182926 |
1 |
ClN8H13C22 |
AB8C13D22 |
216.37 |
10.12 |
-9.17 |
-1.75 |
0 |
|
|
435167 |
135182927 |
1 |
ON3C14H19 |
AB3C14D19 |
-31.02 |
4.85 |
-7.94 |
0.01 |
0 |
|
|
435168 |
135182928 |
1 |
ClN5H8C12 |
AB5C8D12 |
121.49 |
5.22 |
-10.03 |
-1.36 |
0 |
|
|
435169 |
135182981 |
1 |
ON7H37C38 |
AB7C37D38 |
130.01 |
4.38 |
-8.17 |
-1.08 |
0 |
|
|
435170 |
135183048 |
1 |
SN2C11H14 |
AB2C11D14 |
32.98 |
2.19 |
-8.63 |
-0.27 |
0 |
|
|
435171 |
135183053 |
2 |
NC7H9 |
AB7C9 |
65.86 |
3.41 |
-9.07 |
-0.56 |
0 |
|
|
435172 |
135183058 |
1 |
NO3C15H19 |
AB3C15D19 |
-81.51 |
4.66 |
-8.82 |
-1.01 |
0 |
|
|
435173 |
135183186 |
1 |
O2N7C20H33 |
A2B7C20D33 |
-12.92 |
4.19 |
-8.57 |
-0.18 |
0 |
|
|
435174 |
135183187 |
1 |
ON6C10H18 |
AB6C10D18 |
14.08 |
3.61 |
-9.26 |
-0.55 |
0 |
|
|
435175 |
135183189 |
1 |
O3N5C31H33 |
A3B5C31D33 |
-40.39 |
7.21 |
-8.37 |
-0.69 |
0 |
|
|
435176 |
135183324 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-123.24 |
4.13 |
-9.51 |
-0.12 |
0 |
|
|
435177 |
135183454 |
1 |
ClFSN5H19C21 |
ABCD5E19F21 |
59.71 |
9.22 |
-8.46 |
-1.38 |
0 |
|
|
435178 |
135183455 |
1 |
FCl2O2S2N6H35C40 |
AB2C2D2E6F35G40 |
62.59 |
2.11 |
-7.89 |
-1.04 |
0 |
|
|
435179 |
135183460 |
1 |
FNOSC7H12 |
ABCDE7F12 |
-72.07 |
2.16 |
-9.15 |
-0.69 |
0 |
|
|
435180 |
135183463 |
1 |
N2O4C11H22 |
A2B4C11D22 |
-209.34 |
7.93 |
-9.8 |
0.76 |
0 |
|
|
435181 |
135183464 |
1 |
O2C9H16 |
A2B9C16 |
-78.3 |
3.1 |
-9.39 |
1.08 |
0 |
|
|
435182 |
135183465 |
1 |
ClOSF3N5H21C23 |
ABCD3E5F21G23 |
-88.14 |
3.57 |
-8.81 |
-0.96 |
0 |
|
|
435183 |
135183466 |
1 |
BrClFSN3H14C15 |
ABCDE3F14G15 |
52.13 |
6.76 |
-8.56 |
-1.51 |
0 |
|
|
435184 |
135183474 |
1 |
BrSO4N7C11H16 |
ABC4D7E11F16 |
-5.86 |
3.82 |
-9.55 |
-0.75 |
0 |