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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
79052 |
49746576 |
1 |
SO3N4C18H18 |
AB3C4D18E18 |
17.4 |
3.1 |
-8.32 |
-1.09 |
0 |
|
|
79053 |
49746578 |
1 |
SO3N4C19H20 |
AB3C4D19E20 |
10.69 |
1.37 |
-8.31 |
-1.06 |
0 |
|
|
79054 |
49746589 |
1 |
SN4O4C20H20 |
AB4C4D20E20 |
-38.34 |
1.51 |
-9.18 |
-0.98 |
0 |
|
|
79055 |
49746591 |
1 |
SO3N4H18C19 |
AB3C4D18E19 |
13.89 |
7.15 |
-9.18 |
-1.17 |
0 |
|
|
79056 |
49746594 |
1 |
SO2N4C16H20 |
AB2C4D16E20 |
14.04 |
2.7 |
-9.34 |
-1.05 |
0 |
|
|
79057 |
49746605 |
1 |
O2S2N5H15C18 |
A2B2C5D15E18 |
88.9 |
2.26 |
-9.1 |
-1.1 |
0 |
|
|
79058 |
49746608 |
1 |
O2S2N5C15H15 |
A2B2C5D15E15 |
66.89 |
3.65 |
-8.93 |
-1.12 |
0 |
|
|
79059 |
49746623 |
1 |
SO3N4C17H22 |
AB3C4D17E22 |
-23.35 |
3.34 |
-9.22 |
-0.94 |
0 |
|
|
79060 |
49746641 |
1 |
OSF3N3H14C17 |
ABC3D3E14F17 |
-64.07 |
2.35 |
-9.32 |
-1.03 |
0 |
|
|
79061 |
49746642 |
1 |
OSF3N3H14C17 |
ABC3D3E14F17 |
-64.34 |
4.87 |
-9.33 |
-1.04 |
0 |
|
|
79062 |
49746643 |
1 |
SN3O4H15C16 |
AB3C4D15E16 |
-11.89 |
3.93 |
-9.28 |
-1.01 |
0 |
|
|
79063 |
49746645 |
1 |
FOSN3H14C16 |
ABCD3E14F16 |
51.87 |
1.49 |
-9.27 |
-0.96 |
0 |
|
|
79064 |
49746646 |
1 |
OSN3H17C20 |
ABC3D17E20 |
116.55 |
2.74 |
-8.85 |
-0.95 |
0 |
|
|
79065 |
49746647 |
1 |
OSN4H14C15 |
ABC4D14E15 |
109.15 |
2.4 |
-9.31 |
-1.01 |
0 |
|
|
79066 |
49746649 |
1 |
OSCl2N3H13C16 |
ABC2D3E13F16 |
79.78 |
2.76 |
-9.32 |
-1.03 |
0 |
|
|
79067 |
49746650 |
1 |
OSN4H14C15 |
ABC4D14E15 |
107.82 |
1.04 |
-9.28 |
-0.97 |
0 |
|
|
79068 |
49746657 |
1 |
SO2N5H15C16 |
AB2C5D15E16 |
68.08 |
5.77 |
-9.14 |
-1.15 |
0 |
|
|
79069 |
49746659 |
1 |
SO2N3H21C23 |
AB2C3D21E23 |
85.55 |
1.45 |
-8.82 |
-0.94 |
0 |
|
|
79070 |
49746667 |
1 |
ClSO2N4H13C16 |
ABC2D4E13F16 |
47.51 |
4.97 |
-9.17 |
-1.14 |
0 |
|
|
79071 |
49746675 |
1 |
SO3N4H16C17 |
AB3C4D16E17 |
19.25 |
4.94 |
-8.38 |
-1.11 |
0 |
|
|
79072 |
49746680 |
1 |
SN4O4C18H18 |
AB4C4D18E18 |
-21.48 |
6.0 |
-8.22 |
-1.04 |
0 |
|
|
79073 |
49746685 |
1 |
SO2N4H16C17 |
AB2C4D16E17 |
56.01 |
3.85 |
-9.34 |
-1.08 |
0 |
|
|
79074 |
49746710 |
1 |
SO3N5C11H13 |
AB3C5D11E13 |
8.82 |
2.61 |
-10.26 |
-1.38 |
0 |
|
|
79075 |
49746711 |
1 |
SO3N5C12H15 |
AB3C5D12E15 |
4.41 |
3.34 |
-10.25 |
-1.17 |
0 |
|
|
79076 |
49746713 |
1 |
SO3N5H15C16 |
AB3C5D15E16 |
37.77 |
6.71 |
-10.03 |
-1.11 |
0 |
|
|
79077 |
49746718 |
1 |
SO5N6H12C15 |
AB5C6D12E15 |
46.44 |
3.03 |
-10.37 |
-2.07 |
0 |
|
|
79078 |
49746719 |
1 |
SO4N6H16C17 |
AB4C6D16E17 |
-6.14 |
8.6 |
-9.66 |
-1.2 |
0 |
|
|
79079 |
49746721 |
1 |
SN5O5C17H17 |
AB5C5D17E17 |
-30.02 |
5.13 |
-9.08 |
-1.33 |
0 |
|
|
79080 |
49746722 |
1 |
SN5O5H15C17 |
AB5C5D15E17 |
-26.18 |
5.29 |
-9.35 |
-1.32 |
0 |
|
|
79081 |
49746723 |
1 |
S2O3N5H11C13 |
A2B3C5D11E13 |
55.8 |
3.72 |
-9.6 |
-1.42 |
0 |
|
|
79082 |
49746724 |
1 |
SO3N6H12C14 |
AB3C6D12E14 |
57.72 |
2.85 |
-10.29 |
-1.45 |
0 |
|
|
79083 |
49746731 |
1 |
SO3N5H15C16 |
AB3C5D15E16 |
41.13 |
2.94 |
-9.71 |
-1.29 |
0 |
|
|
79084 |
49746739 |
1 |
SO4N5C17H17 |
AB4C5D17E17 |
-2.79 |
7.46 |
-9.31 |
-1.18 |
0 |
|
|
79085 |
49746748 |
1 |
SF3O4N5H12C16 |
AB3C4D5E12F16 |
-157.13 |
1.94 |
-10.31 |
-1.4 |
0 |
|
|
79086 |
49746750 |
1 |
SO4N5H15C17 |
AB4C5D15E17 |
6.39 |
1.16 |
-10.34 |
-1.2 |
0 |
|
|
79087 |
49746752 |
1 |
ClSO3N5H14C16 |
ABC3D5E14F16 |
28.3 |
4.05 |
-9.84 |
-1.26 |
0 |
|
|
79088 |
49746755 |
1 |
SO3N5C12H13 |
AB3C5D12E13 |
35.39 |
3.66 |
-10.18 |
-1.29 |
0 |
|
|
79089 |
49746762 |
1 |
SCl2O3N5H13C16 |
AB2C3D5E13F16 |
23.74 |
3.05 |
-9.99 |
-1.36 |
0 |
|
|
79090 |
49746766 |
1 |
SO3N5C19H19 |
AB3C5D19E19 |
26.58 |
6.18 |
-9.78 |
-1.32 |
0 |
|
|
79091 |
49746770 |
1 |
BrS2O3N5H10C13 |
AB2C3D5E10F13 |
64.66 |
3.16 |
-9.81 |
-1.43 |
0 |
|
|
79092 |
49746771 |
1 |
S2N5O5H13C15 |
A2B5C5D13E15 |
-24.47 |
1.8 |
-10.02 |
-1.56 |
0 |
|
|
79093 |
49746773 |
1 |
SO3N5C15H19 |
AB3C5D15E19 |
-3.12 |
2.99 |
-10.16 |
-1.28 |
0 |
|
|
79094 |
49746774 |
1 |
SN5O5H15C17 |
AB5C5D15E17 |
-31.22 |
3.47 |
-10.28 |
-1.52 |
0 |
|
|
79095 |
49746775 |
1 |
SO3N5H17C18 |
AB3C5D17E18 |
50.39 |
6.59 |
-9.62 |
-1.12 |
0 |
|
|
79096 |
49746776 |
1 |
O2N9H13C17 |
A2B9C13D17 |
172.31 |
5.86 |
-10.3 |
-1.48 |
0 |
|
|
79097 |
49746778 |
2 |
ON3H8C10 |
AB3C8D10 |
116.52 |
3.24 |
-9.14 |
-1.23 |
0 |
|
|
79098 |
49746779 |
1 |
O2N6H16C19 |
A2B6C16D19 |
106.13 |
4.29 |
-8.45 |
-1.58 |
0 |
|
|
79099 |
49746785 |
1 |
O4N5C21H21 |
A4B5C21D21 |
-6.75 |
4.57 |
-8.75 |
-1.41 |
0 |
|
|
79100 |
49746798 |
2 |
OSN3H7C9 |
ABC3D7E9 |
113.38 |
3.79 |
-8.84 |
-1.54 |
0 |
|
|
79101 |
49746800 |
1 |
SO2N5C19H19 |
AB2C5D19E19 |
73.54 |
3.29 |
-9.21 |
-1.48 |
0 |
|
|
79102 |
49746803 |
1 |
O3N5C21H21 |
A3B5C21D21 |
34.24 |
3.25 |
-9.73 |
-1.55 |
0 |
|
|
79103 |
49746804 |
1 |
O2N7H17C20 |
A2B7C17D20 |
121.82 |
6.84 |
-9.41 |
-1.58 |
0 |
|
|
79104 |
49746805 |
1 |
SO2N9C13H13 |
AB2C9D13E13 |
138.34 |
4.03 |
-9.38 |
-1.48 |
0 |
|
|
79105 |
49746806 |
1 |
ClO2N5H14C18 |
AB2C5D14E18 |
88.69 |
4.77 |
-9.67 |
-1.48 |
0 |
|
|
79106 |
49746807 |
1 |
FO2N7H14C19 |
AB2C7D14E19 |
81.44 |
3.37 |
-9.32 |
-1.28 |
0 |
|
|
79107 |
49746808 |
1 |
O3N7H17C20 |
A3B7C17D20 |
88.89 |
2.65 |
-8.89 |
-1.61 |
0 |
|
|
79108 |
49746810 |
1 |
O3N7H11C14 |
A3B7C11D14 |
66.21 |
3.47 |
-10.16 |
-1.6 |
0 |
|
|
79109 |
49746811 |
1 |
SO2N7H13C17 |
AB2C7D13E17 |
134.78 |
4.8 |
-9.6 |
-1.48 |
0 |
|
|
79110 |
49746813 |
1 |
O3N7H13C17 |
A3B7C13D17 |
98.02 |
4.61 |
-9.43 |
-1.43 |
0 |
|
|
79111 |
49746814 |
1 |
O4N7H19C21 |
A4B7C19D21 |
50.34 |
2.61 |
-8.36 |
-1.47 |
0 |
|
|
79112 |
49746815 |
2 |
ON3H9C10 |
AB3C9D10 |
91.19 |
3.88 |
-8.45 |
-1.49 |
0 |
|
|
79113 |
49746833 |
1 |
SO2N5H13C16 |
AB2C5D13E16 |
103.69 |
3.78 |
-9.41 |
-1.52 |
0 |
|
|
79114 |
49746835 |
1 |
O2N7H17C20 |
A2B7C17D20 |
121.98 |
5.04 |
-9.63 |
-1.13 |
0 |
|
|
79115 |
49746844 |
1 |
O2N5C14H17 |
A2B5C14D17 |
35.67 |
2.55 |
-9.94 |
-1.48 |
0 |
|
|
79116 |
49746852 |
1 |
O2N5C16H19 |
A2B5C16D19 |
35.25 |
3.2 |
-9.8 |
-1.18 |
0 |
|
|
79117 |
49746881 |
1 |
FO2N5H12C16 |
AB2C5D12E16 |
39.01 |
4.06 |
-10.01 |
-1.52 |
0 |
|
|
79118 |
49746883 |
1 |
FO2N5H12C16 |
AB2C5D12E16 |
37.36 |
3.31 |
-10.09 |
-1.46 |
0 |
|
|
79119 |
49746884 |
1 |
ClO2N5H12C16 |
AB2C5D12E16 |
77.28 |
3.81 |
-9.9 |
-1.45 |
0 |
|
|
79120 |
49746897 |
1 |
ClO3N5H14C17 |
AB3C5D14E17 |
37.44 |
5.75 |
-9.25 |
-1.46 |
0 |
|
|
79121 |
49746904 |
1 |
O2N5H15C20 |
A2B5C15D20 |
102.86 |
4.0 |
-9.19 |
-1.23 |
0 |
|
|
79122 |
49746908 |
1 |
O2N5H15C18 |
A2B5C15D18 |
98.43 |
3.45 |
-9.6 |
-1.22 |
0 |
|
|
79123 |
49746909 |
1 |
O4N5H19C20 |
A4B5C19D20 |
22.21 |
2.28 |
-8.56 |
-1.3 |
0 |
|
|
79124 |
49746974 |
1 |
SO2N7H11C13 |
AB2C7D11E13 |
112.35 |
3.69 |
-9.97 |
-1.55 |
0 |
|
|
79125 |
49746976 |
1 |
O3N7H19C21 |
A3B7C19D21 |
49.52 |
7.13 |
-9.35 |
-1.23 |
0 |
|
|
79126 |
49746977 |
1 |
O3N6H14C19 |
A3B6C14D19 |
113.02 |
3.0 |
-9.67 |
-1.51 |
0 |
|
|
79127 |
49746979 |
1 |
O2N6H12C15 |
A2B6C12D15 |
95.91 |
3.95 |
-10.17 |
-1.52 |
0 |
|
|
79128 |
49746986 |
1 |
O2N7H13C18 |
A2B7C13D18 |
128.58 |
4.81 |
-10.0 |
-1.57 |
0 |
|
|
79129 |
49747025 |
1 |
BrFON5H13C16 |
ABCD5E13F16 |
77.56 |
1.14 |
-9.71 |
-1.35 |
0 |
|
|
79130 |
49747032 |
1 |
O3N5C18H19 |
A3B5C18D19 |
47.46 |
1.75 |
-8.82 |
-1.31 |
0 |
|
|
79131 |
49747040 |
1 |
ON5C19H21 |
AB5C19D21 |
103.31 |
3.15 |
-9.25 |
-1.3 |
0 |
|
|
79132 |
49747041 |
1 |
ON5C13H17 |
AB5C13D17 |
80.44 |
3.28 |
-9.33 |
-1.14 |
0 |
|
|
79133 |
49747044 |
1 |
ON6H14C17 |
AB6C14D17 |
154.32 |
6.48 |
-9.78 |
-1.13 |
0 |
|
|
79134 |
49747045 |
1 |
O2N5H17C18 |
A2B5C17D18 |
81.8 |
1.38 |
-8.72 |
-1.33 |
0 |
|
|
79135 |
49747046 |
1 |
ON5C17H19 |
AB5C17D19 |
124.76 |
2.95 |
-9.34 |
-1.37 |
0 |
|
|
79136 |
49747047 |
1 |
O2F3N5H14C17 |
A2B3C5D14E17 |
-82.21 |
3.04 |
-9.52 |
-1.25 |
0 |
|
|
79137 |
49747048 |
1 |
O2F3N5H14C17 |
A2B3C5D14E17 |
-82.05 |
3.77 |
-9.65 |
-1.37 |
0 |
|
|
79138 |
49747051 |
1 |
ON5C11H13 |
AB5C11D13 |
90.3 |
3.2 |
-9.38 |
-1.3 |
0 |
|
|
79139 |
49747061 |
2 |
ON3C10H10 |
AB3C10D10 |
77.18 |
3.02 |
-8.63 |
-1.4 |
0 |
|
|
79140 |
49747076 |
1 |
FO2N6H15C17 |
AB2C6D15E17 |
35.38 |
0.55 |
-9.1 |
-1.36 |
0 |
|
|
79141 |
49747078 |
1 |
FO2N6H15C17 |
AB2C6D15E17 |
32.97 |
3.9 |
-9.04 |
-1.47 |
0 |
|
|
79142 |
49747083 |
1 |
Cl2O2N6H14C17 |
A2B2C6D14E17 |
63.96 |
4.77 |
-9.07 |
-1.46 |
0 |
|
|
79143 |
49747088 |
3 |
ON2C6H6 |
AB2C6D6 |
40.48 |
1.97 |
-8.34 |
-1.36 |
0 |
|
|
79144 |
49747092 |
1 |
O4N6C19H20 |
A4B6C19D20 |
2.57 |
2.83 |
-8.3 |
-1.4 |
0 |
|
|
79145 |
49747093 |
1 |
O4N6C19H20 |
A4B6C19D20 |
3.43 |
3.43 |
-8.08 |
-1.42 |
0 |
|
|
79146 |
49747094 |
2 |
O2N3H8C9 |
A2B3C8D9 |
16.45 |
2.77 |
-8.49 |
-1.44 |
0 |
|
|
79147 |
49747095 |
1 |
O4N6H18C19 |
A4B6C18D19 |
6.44 |
2.7 |
-8.38 |
-1.39 |
0 |
|
|
79148 |
49747096 |
1 |
O2F3N6H15C18 |
A2B3C6D15E18 |
-80.27 |
2.54 |
-9.41 |
-1.17 |
0 |
|
|
79149 |
49747098 |
1 |
O2F3N6H15C18 |
A2B3C6D15E18 |
-83.81 |
6.15 |
-9.43 |
-1.52 |
0 |
|
|
79150 |
49747099 |
1 |
ClO2F3N6H14C18 |
AB2C3D6E14F18 |
-89.69 |
4.35 |
-9.43 |
-1.36 |
0 |
|
|
79151 |
49747128 |
2 |
ON3C7H9 |
AB3C7D9 |
40.04 |
1.6 |
-9.86 |
-1.38 |
0 |