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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
435690 |
135192163 |
1 |
FN2O4C30H35 |
AB2C4D30E35 |
-166.92 |
4.53 |
-8.41 |
-0.15 |
0 |
|
|
435691 |
135192165 |
1 |
FSN2O3C20H21 |
ABC2D3E20F21 |
-125.27 |
4.48 |
-8.43 |
-0.39 |
0 |
|
|
435692 |
135192169 |
1 |
FSO2N3C20H24 |
ABC2D3E20F24 |
-72.94 |
4.42 |
-8.2 |
-0.59 |
0 |
|
|
435693 |
135192171 |
1 |
FSN2O3C20H21 |
ABC2D3E20F21 |
-129.29 |
5.28 |
-8.86 |
-0.94 |
0 |
|
|
435694 |
135192172 |
1 |
FSN2O2C20H21 |
ABC2D2E20F21 |
-75.61 |
6.22 |
-8.56 |
-0.76 |
0 |
|
|
435695 |
135192174 |
1 |
FSN2O2C20H23 |
ABC2D2E20F23 |
-96.4 |
5.81 |
-8.22 |
-0.36 |
0 |
|
|
435696 |
135192181 |
1 |
N5O7H13C25 |
A5B7C13D25 |
20.92 |
4.21 |
-9.41 |
-2.27 |
0 |
|
|
435697 |
135192186 |
1 |
SN2O3F7H17C20 |
AB2C3D7E17F20 |
-425.74 |
4.84 |
-8.86 |
-1.86 |
0 |
|
|
435698 |
135192187 |
1 |
OSN2F7H17C20 |
ABC2D7E17F20 |
-342.96 |
3.43 |
-8.3 |
-1.84 |
0 |
|
|
435699 |
135192192 |
1 |
FSN2O2C20H23 |
ABC2D2E20F23 |
-97.57 |
7.5 |
-8.07 |
-0.4 |
0 |
|
|
435700 |
135192193 |
1 |
FO2N3C36H42 |
AB2C3D36E42 |
-43.28 |
4.38 |
-8.33 |
-0.42 |
0 |
|
|
435701 |
135192194 |
1 |
FSN2O3C20H21 |
ABC2D3E20F21 |
-129.12 |
4.26 |
-8.93 |
-1.02 |
0 |
|
|
435702 |
135192200 |
2 |
FNC17H17 |
ABC17D17 |
18.0 |
2.23 |
-8.09 |
-0.41 |
0 |
|
|
435703 |
135192204 |
1 |
ClFN2O4H26C28 |
ABC2D4E26F28 |
-151.33 |
6.3 |
-8.72 |
-0.92 |
0 |
|
|
435704 |
135192206 |
1 |
FN2O4C38H39 |
AB2C4D38E39 |
-139.53 |
4.72 |
-8.73 |
-0.75 |
0 |
|
|
435705 |
135192207 |
1 |
SN2O3C21H24 |
AB2C3D21E24 |
-93.09 |
4.62 |
-8.85 |
-0.87 |
0 |
|
|
435706 |
135192211 |
1 |
ON2C13H20 |
AB2C13D20 |
-49.16 |
1.84 |
-7.82 |
0.31 |
0 |
|
|
435707 |
135192212 |
1 |
OSN2F4C21H22 |
ABC2D4E21F22 |
-201.37 |
2.81 |
-8.23 |
-1.08 |
0 |
|
|
435708 |
135192214 |
1 |
SN2O3C20H22 |
AB2C3D20E22 |
-75.61 |
3.27 |
-8.78 |
-0.39 |
0 |
|
|
435709 |
135192217 |
1 |
ClN2O3C13H17 |
AB2C3D13E17 |
-63.55 |
7.61 |
-9.02 |
-1.56 |
0 |
|
|
435710 |
135192218 |
1 |
FSN2O3C20H23 |
ABC2D3E20F23 |
-134.12 |
4.2 |
-8.22 |
-0.49 |
0 |
|
|
435711 |
135192224 |
1 |
FC11H11 |
AB11C11 |
15.08 |
0.83 |
-8.37 |
-0.66 |
0 |
|
|
435712 |
135192235 |
1 |
FN3O5C36H40 |
AB3C5D36E40 |
168.17 |
7.41 |
-8.4 |
-1.0 |
0 |
|
|
435713 |
135192236 |
1 |
FO2N3C34H38 |
AB2C3D34E38 |
-51.25 |
2.34 |
-7.86 |
-0.24 |
0 |
|
|
435714 |
135192237 |
1 |
N2O3H38C65 |
A2B3C38D65 |
229.53 |
2.11 |
-8.39 |
-1.22 |
0 |
|
|
435715 |
135192238 |
1 |
O2N3H31C53 |
A2B3C31D53 |
212.31 |
1.69 |
-8.41 |
-1.33 |
0 |
|
|
435716 |
135192239 |
1 |
N2H40C57 |
A2B40C57 |
225.4 |
1.08 |
-8.33 |
-1.03 |
0 |
|
|
435717 |
135192240 |
1 |
O3H34C59 |
A3B34C59 |
147.74 |
0.7 |
-8.43 |
-1.08 |
0 |
|
|
435718 |
135192241 |
1 |
O3H38C67 |
A3B38C67 |
187.92 |
0.93 |
-8.15 |
-1.09 |
0 |
|
|
435719 |
135192244 |
1 |
N3O3H33C56 |
A3B3C33D56 |
218.2 |
7.28 |
-7.57 |
-1.59 |
0 |
|
|
435720 |
135192245 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-42.01 |
3.94 |
-8.13 |
-0.1 |
0 |
|
|
435721 |
135192247 |
1 |
N2O2H32C51 |
A2B2C32D51 |
187.72 |
3.82 |
-8.48 |
-1.18 |
0 |
|
|
435722 |
135192249 |
1 |
N2O3H36C65 |
A2B3C36D65 |
211.67 |
2.21 |
-8.26 |
-1.21 |
0 |
|
|
435723 |
135192250 |
1 |
N5H29C43 |
A5B29C43 |
242.39 |
1.98 |
-7.98 |
-1.14 |
0 |
|
|
435724 |
135192251 |
1 |
N2C7H12 |
A2B7C12 |
72.24 |
1.64 |
-9.08 |
1.06 |
0 |
|
|
435725 |
135192253 |
1 |
F2O2N4H18C29 |
A2B2C4D18E29 |
27.15 |
6.97 |
-9.73 |
-1.19 |
0 |
|
|
435726 |
135192254 |
2 |
FNO2H17C18 |
ABC2D17E18 |
-186.7 |
5.45 |
-8.69 |
-0.7 |
0 |
|
|
435727 |
135192255 |
1 |
N2O2H36C59 |
A2B2C36D59 |
224.67 |
2.01 |
-8.56 |
-1.26 |
0 |
|
|
435728 |
135192256 |
1 |
ClN2O4C31H33 |
AB2C4D31E33 |
-114.07 |
4.36 |
-8.35 |
-0.73 |
0 |
|
|
435729 |
135192259 |
2 |
NOC3H6 |
ABC3D6 |
-54.2 |
1.46 |
-9.02 |
1.01 |
0 |
|
|
435730 |
135192260 |
2 |
NSH11C14 |
ABC11D14 |
151.43 |
5.36 |
-8.65 |
-1.1 |
0 |
|
|
435731 |
135192261 |
1 |
NSH29C37 |
ABC29D37 |
189.71 |
3.42 |
-7.64 |
-0.14 |
0 |
|
|
435732 |
135192263 |
1 |
BrO3N6C24H31 |
AB3C6D24E31 |
-35.18 |
7.53 |
-8.1 |
-0.81 |
0 |
|
|
435733 |
135192268 |
1 |
ON9C26H31 |
AB9C26D31 |
155.38 |
3.78 |
-8.29 |
-0.96 |
0 |
|
|
435734 |
135192271 |
1 |
O3C13H26 |
A3B13C26 |
-183.32 |
1.1 |
-9.65 |
2.03 |
0 |
|
|
435735 |
135192274 |
1 |
BrO2N5C18H20 |
AB2C5D18E20 |
-7.52 |
2.76 |
-8.14 |
-0.94 |
0 |
|
|
435736 |
135192275 |
1 |
SC27H48 |
AB27C48 |
-27.47 |
3.54 |
-8.48 |
-0.57 |
0 |
|
|
435737 |
135192279 |
2 |
ClC4H6 |
AB4C6 |
-13.67 |
3.21 |
-9.81 |
0.51 |
0 |
|
|
435738 |
135192283 |
1 |
NO2F4C40H41 |
AB2C4D40E41 |
-216.06 |
11.25 |
-9.06 |
-1.3 |
0 |
|
|
435739 |
135192284 |
1 |
ON2C11H24 |
AB2C11D24 |
-38.78 |
4.92 |
-8.77 |
2.09 |
0 |
|
|
435740 |
135192286 |
2 |
NOC3H6 |
ABC3D6 |
-57.44 |
1.24 |
-8.78 |
0.53 |
0 |
|
|
435741 |
135192287 |
1 |
O2N7C18H21 |
A2B7C18D21 |
36.17 |
3.87 |
-8.39 |
-1.02 |
0 |
|
|
435742 |
135192288 |
1 |
ON9C25H31 |
AB9C25D31 |
99.47 |
6.34 |
-7.77 |
-0.7 |
0 |
|
|
435743 |
135192290 |
1 |
INO2C6H10 |
ABC2D6E10 |
-61.97 |
4.83 |
-9.71 |
-2.53 |
0 |
|
|
435744 |
135192299 |
1 |
NC10H17 |
AB10C17 |
12.45 |
2.22 |
-8.8 |
0.68 |
0 |
|
|
435745 |
135192303 |
1 |
Cl2O4N9H27C30 |
A2B4C9D27E30 |
23.27 |
5.37 |
-9.58 |
-1.57 |
0 |
|
|
435746 |
135192307 |
1 |
FCl2O2N9H26C27 |
AB2C2D9E26F27 |
7.05 |
2.33 |
-8.81 |
-0.94 |
0 |
|
|
435747 |
135192314 |
1 |
O2F5N9H28C29 |
A2B5C9D28E29 |
-188.19 |
10.72 |
-8.27 |
-0.99 |
0 |
|
|
435748 |
135192326 |
1 |
ClO2F5N9H27C29 |
AB2C5D9E27F29 |
-196.72 |
8.26 |
-8.47 |
-0.83 |
0 |
|
|
435749 |
135192327 |
1 |
ClOF3N7H29C32 |
ABC3D7E29F32 |
-52.68 |
10.08 |
-8.93 |
-1.05 |
0 |
|
|
435750 |
135192328 |
1 |
ClO2F3N7H31C32 |
AB2C3D7E31F32 |
-129.23 |
4.02 |
-8.63 |
-1.18 |
0 |
|
|
435751 |
135192329 |
1 |
ClO2N7C29H30 |
AB2C7D29E30 |
26.87 |
8.47 |
-8.12 |
-0.98 |
0 |
|
|
435752 |
135192339 |
1 |
FCl2O3N9H28C30 |
AB2C3D9E28F30 |
-13.38 |
5.74 |
-9.36 |
-1.5 |
0 |
|
|
435753 |
135192343 |
1 |
F2O3N5C23H29 |
A2B3C5D23E29 |
-179.4 |
5.2 |
-9.29 |
-0.65 |
0 |
|
|
435754 |
135192344 |
1 |
ClO3N7H28C29 |
AB3C7D28E29 |
6.92 |
2.45 |
-8.97 |
-1.04 |
0 |
|
|
435755 |
135192345 |
1 |
ClO3N10C29H29 |
AB3C10D29E29 |
54.64 |
4.16 |
-8.96 |
-1.66 |
0 |
|
|
435756 |
135192346 |
1 |
ClO3N10C28H31 |
AB3C10D28E31 |
30.11 |
5.12 |
-8.58 |
-1.0 |
0 |
|
|
435757 |
135192347 |
1 |
ClO3N13C34H38 |
AB3C13D34E38 |
98.09 |
2.71 |
-8.26 |
-1.04 |
0 |
|
|
435758 |
135192354 |
1 |
Cl2F2O2N9H29C30 |
A2B2C2D9E29F30 |
-40.69 |
11.88 |
-8.47 |
-1.1 |
0 |
|
|
435759 |
135192355 |
1 |
ClO2F3N10C33H36 |
AB2C3D10E33F36 |
-96.61 |
3.71 |
-8.7 |
-1.0 |
0 |
|
|
435760 |
135192356 |
1 |
NC11H15 |
AB11C15 |
37.0 |
1.75 |
-8.73 |
0.06 |
0 |
|
|
435761 |
135192357 |
1 |
ClO2F5N8C30H30 |
AB2C5D8E30F30 |
-211.35 |
3.7 |
-8.7 |
-1.22 |
0 |
|
|
435762 |
135192358 |
1 |
ClO3N9C29H32 |
AB3C9D29E32 |
8.91 |
1.95 |
-8.16 |
-0.96 |
0 |
|
|
435763 |
135192361 |
1 |
BrClON5C13H13 |
ABCD5E13F13 |
40.86 |
9.02 |
-8.97 |
-1.12 |
0 |
|
|
435764 |
135192363 |
1 |
ClO2F3N9C31H31 |
AB2C3D9E31F31 |
-65.91 |
4.43 |
-8.0 |
-1.04 |
0 |
|
|
435765 |
135192364 |
1 |
ClF2O2N8H25C27 |
AB2C2D8E25F27 |
-66.5 |
4.93 |
-9.2 |
-1.05 |
0 |
|
|
435766 |
135192365 |
1 |
ClFON5C13H13 |
ABCD5E13F13 |
-4.52 |
8.78 |
-8.99 |
-1.09 |
0 |
|
|
435767 |
135192367 |
1 |
ClF3O3N6H30C33 |
AB3C3D6E30F33 |
-170.38 |
6.71 |
-8.86 |
-0.9 |
0 |
|
|
435768 |
135192368 |
1 |
BrClO2F5N10H27C28 |
ABC2D5E10F27G28 |
-175.03 |
10.24 |
-8.48 |
-1.76 |
0 |
|
|
435769 |
135192370 |
1 |
ON4C16H20 |
AB4C16D20 |
10.54 |
7.14 |
-8.35 |
-0.65 |
0 |
|
|
435770 |
135192371 |
1 |
ClO2N9C29H32 |
AB2C9D29E32 |
60.94 |
1.94 |
-8.28 |
-1.24 |
0 |
|
|
435771 |
135192372 |
1 |
ClO2F3N8H28C30 |
AB2C3D8E28F30 |
-108.47 |
7.64 |
-8.46 |
-1.18 |
0 |
|
|
435772 |
135192374 |
1 |
ClFON5H11C12 |
ABCD5E11F12 |
5.58 |
6.39 |
-8.6 |
-1.2 |
0 |
|
|
435773 |
135192375 |
1 |
ClF3O3N11H31C32 |
AB3C3D11E31F32 |
-97.66 |
9.89 |
-8.45 |
-1.47 |
0 |
|
|
435774 |
135192376 |
1 |
ClO3F4N10H31C34 |
AB3C4D10E31F34 |
-143.09 |
7.18 |
-8.6 |
-1.22 |
0 |
|
|
435775 |
135192378 |
1 |
Cl2O2N9C28H29 |
A2B2C9D28E29 |
55.84 |
3.29 |
-8.4 |
-1.12 |
0 |
|
|
435776 |
135192380 |
1 |
ClOF2N5C14H14 |
ABC2D5E14F14 |
-51.97 |
3.93 |
-8.46 |
-0.81 |
0 |
|
|
435777 |
135192382 |
1 |
ClOSN4H11C12 |
ABCD4E11F12 |
32.99 |
7.17 |
-9.04 |
-1.33 |
0 |
|
|
435778 |
135192383 |
1 |
Cl2O5N9C28H29 |
A2B5C9D28E29 |
-82.87 |
1.4 |
-8.55 |
-1.15 |
0 |
|
|
435779 |
135192385 |
1 |
ClF2O2N9H28C30 |
AB2C2D9E28F30 |
-10.26 |
5.79 |
-8.65 |
-1.51 |
0 |
|
|
435780 |
135192386 |
1 |
ClNOC16H16 |
ABCD16E16 |
-13.51 |
3.75 |
-9.5 |
-0.46 |
0 |
|
|
435781 |
135192389 |
1 |
BrClO5N8C29H30 |
ABC5D8E29F30 |
-91.82 |
4.25 |
-8.47 |
-1.03 |
0 |
|
|
435782 |
135192390 |
1 |
ClO2F3N9H27C28 |
AB2C3D9E27F28 |
-77.26 |
3.73 |
-8.12 |
-1.04 |
0 |
|
|
435783 |
135192391 |
1 |
ClO2F3N8H28C32 |
AB2C3D8E28F32 |
-82.79 |
11.27 |
-8.79 |
-1.43 |
0 |
|
|
435784 |
135192392 |
1 |
ClNC10H12 |
ABC10D12 |
29.04 |
4.23 |
-8.25 |
-0.26 |
0 |
|
|
435785 |
135192401 |
1 |
NO2C23H41 |
AB2C23D41 |
-146.97 |
2.96 |
-8.89 |
0.3 |
0 |
|
|
435786 |
135192403 |
1 |
ClO2N7C28H28 |
AB2C7D28E28 |
91.75 |
4.2 |
-8.37 |
-0.96 |
0 |
|
|
435787 |
135192406 |
1 |
Cl2F2O3N9H29C30 |
A2B2C3D9E29F30 |
-92.28 |
3.08 |
-8.4 |
-1.1 |
0 |
|
|
435788 |
135192414 |
1 |
ClF2O3N9C30H32 |
AB2C3D9E30F32 |
-90.65 |
2.82 |
-8.56 |
-0.9 |
0 |
|
|
435789 |
135192421 |
1 |
ClF3O3N7H31C32 |
AB3C3D7E31F32 |
-155.6 |
7.52 |
-8.56 |
-1.07 |
0 |