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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
124063 |
50871719 |
1 |
N2S3O7H14C18 |
A2B3C7D14E18 |
-93.62 |
8.7 |
-8.78 |
-2.01 |
0 |
|
|
124064 |
50871720 |
1 |
BrON2S2F3H16C23 |
ABC2D2E3F16G23 |
-93.77 |
8.18 |
-8.85 |
-1.45 |
0 |
|
|
124065 |
50871741 |
1 |
S2N6O6C29H30 |
A2B6C6D29E30 |
-78.56 |
2.34 |
-8.97 |
-1.6 |
0 |
|
|
124066 |
50871742 |
1 |
Cl2N2S2O5H16C24 |
A2B2C2D5E16F24 |
-12.25 |
5.67 |
-8.9 |
-1.77 |
0 |
|
|
124067 |
50871748 |
1 |
SO3N4H14C19 |
AB3C4D14E19 |
52.85 |
6.94 |
-8.58 |
-1.7 |
0 |
|
|
124068 |
50871749 |
1 |
SO3N4H18C25 |
AB3C4D18E25 |
88.86 |
5.46 |
-8.59 |
-1.57 |
0 |
|
|
124069 |
50871750 |
1 |
N3O4H17C22 |
A3B4C17D22 |
-49.99 |
6.45 |
-9.45 |
-1.57 |
0 |
|
|
124070 |
50871751 |
2 |
NOSH8C10 |
ABCD8E10 |
35.86 |
5.33 |
-8.81 |
-1.56 |
0 |
|
|
124071 |
50871820 |
1 |
S2N3O4H15C24 |
A2B3C4D15E24 |
72.53 |
9.46 |
-9.33 |
-1.79 |
0 |
|
|
124072 |
50871919 |
1 |
ClN2S2O4H9C15 |
AB2C2D4E9F15 |
8.98 |
5.9 |
-9.19 |
-2.22 |
0 |
|
|
124073 |
50871920 |
1 |
ClS2N3O6H12C22 |
AB2C3D6E12F22 |
36.73 |
6.47 |
-9.48 |
-2.02 |
0 |
|
|
124074 |
50871926 |
1 |
ClON2S2H23C25 |
ABC2D2E23F25 |
36.68 |
6.17 |
-8.43 |
-1.32 |
0 |
|
|
124075 |
50871927 |
1 |
ClS2N3O3H16C25 |
AB2C3D3E16F25 |
79.86 |
11.73 |
-8.68 |
-1.65 |
0 |
|
|
124076 |
50871977 |
1 |
FNO2S2H18C27 |
ABC2D2E18F27 |
13.48 |
6.24 |
-8.92 |
-1.52 |
0 |
|
|
124077 |
50872031 |
1 |
SN3O4H13C19 |
AB3C4D13E19 |
-7.02 |
6.61 |
-8.82 |
-1.74 |
0 |
|
|
124078 |
50872032 |
1 |
SN3O3H21C31 |
AB3C3D21E31 |
58.13 |
7.93 |
-8.75 |
-1.6 |
0 |
|
|
124079 |
50872033 |
1 |
ClN2S2O5H17C24 |
AB2C2D5E17F24 |
-3.21 |
6.98 |
-8.85 |
-1.66 |
0 |
|
|
124080 |
50872034 |
1 |
SN2O6H18C24 |
AB2C6D18E24 |
-60.36 |
4.74 |
-8.86 |
-1.43 |
0 |
|
|
124081 |
50872035 |
1 |
N2S2F3O5H17C25 |
A2B2C3D5E17F25 |
-160.15 |
7.55 |
-8.92 |
-1.74 |
0 |
|
|
124082 |
50872036 |
1 |
S2N3O7H19C25 |
A2B3C7D19E25 |
-6.19 |
7.53 |
-8.95 |
-1.88 |
0 |
|
|
124083 |
50872037 |
1 |
FN2S2O5H19C25 |
AB2C2D5E19F25 |
-50.18 |
7.2 |
-8.88 |
-1.63 |
0 |
|
|
124084 |
50872038 |
1 |
N3O6H19C24 |
A3B6C19D24 |
-39.08 |
5.74 |
-8.95 |
-1.6 |
0 |
|
|
124085 |
50872051 |
1 |
ClN2S2O5H17C24 |
AB2C2D5E17F24 |
-3.41 |
6.62 |
-8.94 |
-1.7 |
0 |
|
|
124086 |
50872116 |
1 |
SBr2N2O2H10C17 |
AB2C2D2E10F17 |
39.78 |
3.19 |
-9.07 |
-1.39 |
0 |
|
|
124087 |
50872187 |
1 |
N2O2S2C17H18 |
A2B2C2D17E18 |
6.58 |
4.01 |
-8.93 |
-1.3 |
0 |
|
|
124088 |
50872197 |
2 |
NO3H9C10 |
AB3C9D10 |
-74.88 |
7.96 |
-9.15 |
-1.42 |
0 |
|
|
124089 |
50872228 |
1 |
N2S2O3H20C21 |
A2B2C3D20E21 |
-20.95 |
4.57 |
-8.84 |
-1.42 |
0 |
|
|
124090 |
50872352 |
1 |
ClFN4O5H14C19 |
ABC4D5E14F19 |
-131.67 |
3.11 |
-9.44 |
-1.63 |
0 |
|
|
124091 |
50872353 |
1 |
N2O4H14C15 |
A2B4C14D15 |
-95.07 |
3.61 |
-9.09 |
-1.68 |
0 |
|
|
124092 |
50872354 |
1 |
BrSN3O3H16C23 |
ABC3D3E16F23 |
32.09 |
5.77 |
-8.97 |
-1.51 |
0 |
|
|
124093 |
50872355 |
1 |
FO2N3H18C24 |
AB2C3D18E24 |
23.69 |
1.11 |
-8.67 |
-1.18 |
0 |
|
|
124094 |
50872356 |
1 |
N2O4H12C17 |
A2B4C12D17 |
-66.73 |
5.5 |
-9.2 |
-1.94 |
0 |
|
|
124095 |
50872498 |
1 |
N3O7H17C23 |
A3B7C17D23 |
-111.14 |
6.65 |
-9.33 |
-2.2 |
0 |
|
|
124096 |
50872521 |
1 |
N3H15C20 |
A3B15C20 |
132.02 |
8.6 |
-8.81 |
-1.27 |
0 |
|
|
124097 |
50872547 |
1 |
BrSN2O4H17C23 |
ABC2D4E17F23 |
-41.68 |
0.6 |
-9.36 |
-1.39 |
0 |
|
|
124098 |
50872548 |
1 |
ClFN4O5H14C18 |
ABC4D5E14F18 |
-148.53 |
2.05 |
-9.37 |
-1.52 |
0 |
|
|
124099 |
50872625 |
1 |
OSN3H21C26 |
ABC3D21E26 |
83.18 |
1.96 |
-8.31 |
-0.92 |
0 |
|
|
124100 |
50872690 |
1 |
N2S2O6H12C21 |
A2B2C6D12E21 |
-36.89 |
10.11 |
-9.4 |
-2.22 |
0 |
|
|
124101 |
50872709 |
1 |
NS2O4H15C18 |
AB2C4D15E18 |
-77.86 |
3.17 |
-8.83 |
-1.83 |
0 |
|
|
124102 |
50872754 |
1 |
FON3H20C26 |
ABC3D20E26 |
53.59 |
6.81 |
-8.38 |
-1.0 |
0 |
|
|
124103 |
50872758 |
1 |
FNBr2O2S2H16C24 |
ABC2D2E2F16G24 |
-3.56 |
2.28 |
-9.18 |
-1.71 |
0 |
|
|
124104 |
50872759 |
1 |
FNBr2O2S2H16C24 |
ABC2D2E2F16G24 |
-3.45 |
1.89 |
-9.12 |
-1.76 |
0 |
|
|
124105 |
50872760 |
1 |
NSO3Cl4H13C23 |
ABC3D4E13F23 |
-56.64 |
5.94 |
-9.33 |
-1.55 |
0 |
|
|
124106 |
50872761 |
1 |
NSCl2O3H15C23 |
ABC2D3E15F23 |
-37.79 |
6.17 |
-9.24 |
-1.37 |
0 |
|
|
124107 |
50872762 |
1 |
NBr2O2S2H13C18 |
AB2C2D2E13F18 |
18.94 |
1.08 |
-9.2 |
-1.69 |
0 |
|
|
124108 |
50872763 |
1 |
NOS2Cl3H8C16 |
ABC2D3E8F16 |
34.41 |
4.07 |
-9.26 |
-1.71 |
0 |
|
|
124109 |
50872804 |
1 |
BrSN3O3H16C23 |
ABC3D3E16F23 |
33.38 |
2.56 |
-8.89 |
-1.38 |
0 |
|
|
124110 |
50872805 |
1 |
BrO2N4H17C23 |
AB2C4D17E23 |
84.68 |
1.26 |
-8.8 |
-1.42 |
0 |
|
|
124111 |
50872806 |
1 |
ON2S2C22H24 |
AB2C2D22E24 |
21.38 |
7.73 |
-8.24 |
-1.23 |
0 |
|
|
124112 |
50872807 |
1 |
NCl2S2O3H17C24 |
AB2C2D3E17F24 |
-16.54 |
3.63 |
-8.77 |
-1.52 |
0 |
|
|
124113 |
50872808 |
1 |
NCl2O2S2F3H14C24 |
AB2C2D2E3F14G24 |
-137.91 |
5.11 |
-9.01 |
-1.73 |
0 |
|
|
124114 |
50872809 |
1 |
OF2N2S2H16C25 |
AB2C2D2E16F25 |
-0.22 |
6.99 |
-8.48 |
-1.43 |
0 |
|
|
124115 |
50872810 |
1 |
ClNO2S2H12C20 |
ABC2D2E12F20 |
37.16 |
4.75 |
-8.84 |
-1.88 |
0 |
|
|
124116 |
50872811 |
1 |
NO2S2F3H12C21 |
AB2C2D3E12F21 |
-115.29 |
6.35 |
-8.91 |
-1.96 |
0 |
|
|
124117 |
50872812 |
1 |
NS2O3H25C30 |
AB2C3D25E30 |
9.28 |
2.9 |
-8.57 |
-1.34 |
0 |
|
|
124118 |
50872813 |
1 |
FBr2N2O2H17C24 |
AB2C2D2E17F24 |
7.31 |
3.56 |
-8.68 |
-1.48 |
0 |
|
|
124119 |
50872814 |
1 |
NSO3H17C23 |
ABC3D17E23 |
-20.33 |
4.23 |
-9.1 |
-1.14 |
0 |
|
|
124120 |
50872815 |
1 |
SN2O8H14C22 |
AB2C8D14E22 |
-124.8 |
11.62 |
-9.29 |
-1.75 |
0 |
|
|
124121 |
50872816 |
1 |
ClNS2O4H18C25 |
ABC2D4E18F25 |
-45.95 |
5.27 |
-9.06 |
-1.62 |
0 |
|
|
124122 |
50872817 |
1 |
ClFNS2O4H15C24 |
ABCD2E4F15G24 |
-84.48 |
4.82 |
-9.07 |
-1.59 |
0 |
|
|
124123 |
50872818 |
1 |
BrN3O4H18C23 |
AB3C4D18E23 |
-19.72 |
2.5 |
-8.97 |
-1.68 |
0 |
|
|
124124 |
50872819 |
1 |
ON2S2H18C21 |
AB2C2D18E21 |
40.67 |
5.87 |
-8.48 |
-1.22 |
0 |
|
|
124125 |
50872820 |
1 |
NCl2O2S2H21C23 |
AB2C2D2E21F23 |
-26.24 |
3.4 |
-8.87 |
-1.44 |
0 |
|
|
124126 |
50872821 |
1 |
ClSN2O4H13C21 |
ABC2D4E13F21 |
-40.72 |
6.19 |
-9.19 |
-1.68 |
0 |
|
|
124127 |
50872822 |
1 |
BrOCl2N2H9C17 |
ABC2D2E9F17 |
77.11 |
5.08 |
-9.6 |
-1.31 |
0 |
|
|
124128 |
50872823 |
1 |
BrCl2N2O3H15C23 |
AB2C2D3E15F23 |
-11.53 |
2.0 |
-9.06 |
-1.34 |
0 |
|
|
124129 |
50872824 |
1 |
NS2O3H11C15 |
AB2C3D11E15 |
-49.84 |
2.62 |
-8.66 |
-1.6 |
0 |
|
|
124130 |
50872825 |
1 |
S2N3O3H19C22 |
A2B3C3D19E22 |
51.75 |
4.79 |
-8.94 |
-1.63 |
0 |
|
|
124131 |
50872842 |
1 |
NO5H13C17 |
AB5C13D17 |
-110.38 |
3.84 |
-9.2 |
-1.75 |
0 |
|
|
124132 |
50872843 |
2 |
NO2H8C11 |
AB2C8D11 |
-28.17 |
5.1 |
-8.66 |
-1.81 |
0 |
|
|
124133 |
50873155 |
1 |
NS2O3C24H27 |
AB2C3D24E27 |
-57.13 |
3.16 |
-8.78 |
-1.48 |
0 |
|
|
124134 |
50873156 |
1 |
NS2O4C26H31 |
AB2C4D26E31 |
-101.2 |
4.45 |
-8.72 |
-1.55 |
0 |
|
|
124135 |
50873188 |
1 |
SN2O4H12C17 |
AB2C4D12E17 |
-21.28 |
4.82 |
-9.52 |
-1.44 |
0 |
|
|
124136 |
50873244 |
1 |
SN2F3O5H13C23 |
AB2C3D5E13F23 |
-177.13 |
5.63 |
-9.57 |
-1.7 |
0 |
|
|
124137 |
50873290 |
1 |
NS2O5C24H25 |
AB2C5D24E25 |
-139.26 |
8.57 |
-8.96 |
-1.63 |
0 |
|
|
124138 |
50873319 |
1 |
ClFS2N4O4H10C20 |
ABC2D4E4F10G20 |
23.97 |
8.02 |
-9.53 |
-1.94 |
0 |
|
|
124139 |
50873411 |
1 |
OCl2N2S2H18C29 |
AB2C2D2E18F29 |
94.47 |
7.15 |
-8.37 |
-1.26 |
0 |
|
|
124140 |
50873479 |
1 |
BrSCl2N2O4H21C31 |
ABC2D2E4F21G31 |
-22.13 |
3.88 |
-8.91 |
-1.85 |
0 |
|
|
124141 |
50873480 |
1 |
ON2S2H16C18 |
AB2C2D16E18 |
52.07 |
7.23 |
-8.37 |
-1.37 |
0 |
|
|
124142 |
50873484 |
1 |
Cl2S2N3O3H15C22 |
A2B2C3D3E15F22 |
44.75 |
12.64 |
-8.84 |
-1.66 |
0 |
|
|
124143 |
50873509 |
1 |
FNOS3H10C15 |
ABCD3E10F15 |
6.21 |
4.69 |
-9.11 |
-1.57 |
0 |
|
|
124144 |
50873520 |
1 |
NO2S2H15C21 |
AB2C2D15E21 |
47.75 |
2.85 |
-8.8 |
-1.62 |
0 |
|
|
124145 |
50873521 |
1 |
BrFOSN2H6C10 |
ABCDE2F6G10 |
-23.69 |
3.26 |
-9.26 |
-1.82 |
0 |
|
|
124146 |
50873522 |
1 |
ClFN2O5H14C19 |
ABC2D5E14F19 |
-191.37 |
5.96 |
-8.79 |
-1.69 |
0 |
|
|
124147 |
50873523 |
1 |
Cl2N2O5H14C19 |
A2B2C5D14E19 |
-150.53 |
6.38 |
-8.8 |
-1.62 |
0 |
|
|
124148 |
50873524 |
1 |
SN2O6H26C29 |
AB2C6D26E29 |
-129.65 |
6.39 |
-8.77 |
-1.64 |
0 |
|
|
124149 |
50873525 |
1 |
ON2S2H18C24 |
AB2C2D18E24 |
78.77 |
7.64 |
-8.36 |
-1.3 |
0 |
|
|
124150 |
50873526 |
1 |
NS2O3H9C12 |
AB2C3D9E12 |
-58.04 |
4.78 |
-9.35 |
-2.01 |
0 |
|
|
124151 |
50873527 |
1 |
ClFS2N3O3H13C17 |
ABC2D3E3F13G17 |
-47.29 |
2.53 |
-9.16 |
-1.63 |
0 |
|
|
124152 |
50873528 |
1 |
N2S2O5H12C17 |
A2B2C5D12E17 |
0.61 |
5.62 |
-9.04 |
-2.3 |
0 |
|
|
124153 |
50873529 |
1 |
N2S2F3O5H13C22 |
A2B2C3D5E13F22 |
-154.01 |
7.9 |
-8.98 |
-2.14 |
0 |
|
|
124154 |
50873578 |
1 |
ON2S2F3H19C27 |
AB2C2D3E19F27 |
-71.48 |
5.46 |
-8.71 |
-1.47 |
0 |
|
|
124155 |
50873641 |
1 |
BrN2S2O4H19C24 |
AB2C2D4E19F24 |
-16.69 |
6.16 |
-8.95 |
-1.53 |
0 |
|
|
124156 |
50873647 |
1 |
S2N3O3H19C26 |
A2B3C3D19E26 |
78.21 |
11.07 |
-8.63 |
-1.61 |
0 |
|
|
124157 |
50873648 |
1 |
BrN2S3O6H13C22 |
AB2C3D6E13F22 |
-21.22 |
8.29 |
-9.42 |
-1.99 |
0 |
|
|
124158 |
50873653 |
1 |
BrNS3O4H16C23 |
ABC3D4E16F23 |
-27.0 |
3.91 |
-9.09 |
-1.55 |
0 |
|
|
124159 |
50873684 |
2 |
NSC7H8 |
ABC7D8 |
25.39 |
4.22 |
-8.22 |
-1.04 |
0 |
|
|
124160 |
50873685 |
1 |
ClSN2H7C8 |
ABC2D7E8 |
42.78 |
6.33 |
-8.96 |
-0.82 |
0 |
|
|
124161 |
50873686 |
1 |
BrSN2H7C8 |
ABC2D7E8 |
50.18 |
6.5 |
-8.94 |
-0.75 |
0 |
|
|
124162 |
50873688 |
1 |
ClNSH10C14 |
ABCD10E14 |
54.38 |
1.87 |
-9.03 |
-1.17 |
0 |