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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
130107 |
51074945 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-81.56 |
3.5 |
-9.43 |
-0.92 |
0 |
|
|
130108 |
51074947 |
2 |
NOC10H10 |
ABC10D10 |
-23.99 |
5.5 |
-8.91 |
-0.77 |
0 |
|
|
130109 |
51074949 |
1 |
ON2C14H18 |
AB2C14D18 |
9.41 |
4.46 |
-9.6 |
-0.11 |
0 |
|
|
130110 |
51074950 |
1 |
ON2C16H20 |
AB2C16D20 |
11.46 |
4.21 |
-9.63 |
-0.13 |
0 |
|
|
130111 |
51074953 |
1 |
ClFNO3C15H15 |
ABCD3E15F15 |
-125.84 |
2.67 |
-9.36 |
-0.84 |
0 |
|
|
130112 |
51074955 |
1 |
ON4C11H18 |
AB4C11D18 |
-19.84 |
4.76 |
-9.64 |
0.35 |
0 |
|
|
130113 |
51074956 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-17.24 |
6.04 |
-8.94 |
-0.01 |
0 |
|
|
130114 |
51074957 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-19.15 |
4.89 |
-9.09 |
-0.03 |
0 |
|
|
130115 |
51074962 |
1 |
SO3N5C15H17 |
AB3C5D15E17 |
-51.77 |
2.77 |
-9.61 |
-0.99 |
0 |
|
|
130116 |
51074963 |
1 |
SN2O5C14H16 |
AB2C5D14E16 |
-124.57 |
3.59 |
-8.97 |
-0.47 |
0 |
|
|
130117 |
51074966 |
1 |
FSO2N4C15H19 |
ABC2D4E15F19 |
-73.46 |
6.84 |
-9.46 |
-1.07 |
0 |
|
|
130118 |
51074967 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-43.9 |
11.15 |
-9.61 |
-0.68 |
0 |
|
|
130119 |
51074974 |
1 |
OF2N4C18H20 |
AB2C4D18E20 |
-80.8 |
3.9 |
-9.51 |
-0.84 |
0 |
|
|
130120 |
51074975 |
1 |
ON4C18H26 |
AB4C18D26 |
-23.39 |
4.74 |
-9.51 |
0.42 |
0 |
|
|
130121 |
51074976 |
1 |
ON4C15H24 |
AB4C15D24 |
-22.72 |
4.42 |
-9.61 |
0.31 |
0 |
|
|
130122 |
51074978 |
2 |
ON2C9H11 |
AB2C9D11 |
17.35 |
4.66 |
-8.98 |
-0.61 |
0 |
|
|
130123 |
51074979 |
1 |
ClFNO3C13H17 |
ABCD3E13F17 |
-144.7 |
7.36 |
-9.25 |
-0.92 |
0 |
|
|
130124 |
51074980 |
1 |
NO3C16H25 |
AB3C16D25 |
-117.48 |
6.09 |
-9.11 |
-0.03 |
0 |
|
|
130125 |
51074986 |
1 |
ON4C20H20 |
AB4C20D20 |
52.63 |
7.05 |
-9.54 |
-0.5 |
0 |
|
|
130126 |
51074988 |
1 |
SO2N3C15H15 |
AB2C3D15E15 |
-17.9 |
4.36 |
-8.96 |
-1.26 |
0 |
|
|
130127 |
51074991 |
1 |
ClO2N3C13H14 |
AB2C3D13E14 |
-49.01 |
3.2 |
-9.02 |
-0.74 |
0 |
|
|
130128 |
51075003 |
1 |
ON3C11H17 |
AB3C11D17 |
-23.15 |
4.06 |
-9.12 |
0.41 |
0 |
|
|
130129 |
51075004 |
1 |
ClNO2C11H14 |
ABC2D11E14 |
-64.19 |
3.6 |
-9.3 |
-0.5 |
0 |
|
|
130130 |
51075006 |
1 |
FO2N3H14C16 |
AB2C3D14E16 |
-27.28 |
2.7 |
-9.39 |
-0.69 |
0 |
|
|
130131 |
51075007 |
1 |
N3O4H17C18 |
A3B4C17D18 |
-56.27 |
4.36 |
-8.84 |
-0.62 |
0 |
|
|
130132 |
51075008 |
1 |
ClSO2N3H12C15 |
ABC2D3E12F15 |
-32.9 |
2.61 |
-9.06 |
-1.42 |
0 |
|
|
130133 |
51075011 |
1 |
ON3C13H21 |
AB3C13D21 |
-26.75 |
3.7 |
-8.95 |
0.52 |
0 |
|
|
130134 |
51075012 |
1 |
OSN2C13H18 |
ABC2D13E18 |
-21.75 |
6.82 |
-8.59 |
-1.08 |
0 |
|
|
130135 |
51075013 |
1 |
ON4C20H20 |
AB4C20D20 |
59.38 |
9.76 |
-8.86 |
-0.86 |
0 |
|
|
130136 |
51075019 |
1 |
FN2O2C11H11 |
AB2C2D11E11 |
-119.76 |
2.27 |
-9.48 |
-0.73 |
0 |
|
|
130137 |
51075025 |
1 |
ClSN3C10H14 |
ABC3D10E14 |
44.73 |
1.38 |
-8.67 |
-0.26 |
0 |
|
|
130138 |
51075027 |
1 |
OSN5C14H17 |
ABC5D14E17 |
30.94 |
2.57 |
-8.97 |
-0.5 |
0 |
|
|
130139 |
51075030 |
1 |
ON3C14H23 |
AB3C14D23 |
-35.45 |
3.6 |
-9.04 |
0.51 |
0 |
|
|
130140 |
51075036 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-109.56 |
3.12 |
-9.22 |
-0.36 |
0 |
|
|
130141 |
51075039 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-90.1 |
2.86 |
-9.1 |
-0.38 |
0 |
|
|
130142 |
51075047 |
1 |
O2S2N3H15C16 |
A2B2C3D15E16 |
18.64 |
3.9 |
-8.4 |
-0.73 |
0 |
|
|
130143 |
51075048 |
1 |
O3N4C17H18 |
A3B4C17D18 |
-69.91 |
4.32 |
-8.74 |
-0.72 |
0 |
|
|
130144 |
51075049 |
1 |
O2N5C14H17 |
A2B5C14D17 |
-3.45 |
4.3 |
-8.63 |
-0.56 |
0 |
|
|
130145 |
51075050 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
-24.18 |
5.0 |
-8.72 |
-1.31 |
0 |
|
|
130146 |
51075052 |
1 |
O2N3H17C19 |
A2B3C17D19 |
-4.71 |
1.02 |
-9.06 |
-0.91 |
0 |
|
|
130147 |
51075058 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-165.71 |
3.38 |
-9.77 |
-0.28 |
0 |
|
|
130148 |
51075059 |
1 |
N3O3C12H17 |
A3B3C12D17 |
-129.42 |
3.53 |
-9.81 |
-0.29 |
0 |
|
|
130149 |
51075063 |
1 |
OSN4C15H18 |
ABC4D15E18 |
13.43 |
3.48 |
-8.64 |
-0.58 |
0 |
|
|
130150 |
51075064 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
-16.59 |
3.73 |
-9.09 |
-0.84 |
0 |
|
|
130151 |
51075068 |
1 |
N3O3H19C20 |
A3B3C19D20 |
-15.04 |
6.09 |
-9.28 |
-0.7 |
0 |
|
|
130152 |
51075071 |
1 |
N2F3O3C16H19 |
A2B3C3D16E19 |
-247.16 |
6.01 |
-9.66 |
-0.91 |
0 |
|
|
130153 |
51075074 |
1 |
SO2N3C17H27 |
AB2C3D17E27 |
-93.85 |
4.36 |
-9.12 |
-0.45 |
0 |
|
|
130154 |
51075077 |
1 |
ON4C21H24 |
AB4C21D24 |
31.1 |
3.59 |
-8.48 |
-0.27 |
0 |
|
|
130155 |
51075082 |
1 |
O2N4C19H20 |
A2B4C19D20 |
21.23 |
3.17 |
-8.45 |
-0.91 |
0 |
|
|
130156 |
51075083 |
1 |
O2S2N3H13C14 |
A2B2C3D13E14 |
22.56 |
8.4 |
-9.24 |
-1.22 |
0 |
|
|
130157 |
51075085 |
1 |
ON7H15C16 |
AB7C15D16 |
111.53 |
5.17 |
-9.19 |
-1.1 |
0 |
|
|
130158 |
51075094 |
1 |
NSO2C13H13 |
ABC2D13E13 |
-28.57 |
2.65 |
-9.04 |
-0.29 |
0 |
|
|
130159 |
51075101 |
1 |
OSN5C16H23 |
ABC5D16E23 |
9.77 |
4.28 |
-9.07 |
-0.98 |
0 |
|
|
130160 |
51075104 |
1 |
SO2N5C16H23 |
AB2C5D16E23 |
-51.88 |
8.38 |
-9.06 |
-0.62 |
0 |
|
|
130161 |
51075106 |
1 |
SN4C16H16 |
AB4C16D16 |
105.96 |
3.91 |
-8.79 |
-0.87 |
0 |
|
|
130162 |
51075114 |
2 |
OSN2C7H7 |
ABC2D7E7 |
33.62 |
8.11 |
-9.6 |
-1.12 |
0 |
|
|
130163 |
51075120 |
1 |
ON6C15H20 |
AB6C15D20 |
40.28 |
7.41 |
-9.3 |
-0.26 |
0 |
|
|
130164 |
51075122 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-58.8 |
7.75 |
-8.68 |
-0.39 |
0 |
|
|
130165 |
51075125 |
1 |
ON5C18H25 |
AB5C18D25 |
13.79 |
6.57 |
-8.22 |
0.26 |
0 |
|
|
130166 |
51075127 |
1 |
ON5C13H15 |
AB5C13D15 |
53.54 |
12.34 |
-9.23 |
-0.56 |
0 |
|
|
130167 |
51075128 |
1 |
F3N3O4C13H16 |
A3B3C4D13E16 |
-311.77 |
6.78 |
-9.84 |
-1.52 |
0 |
|
|
130168 |
51075129 |
1 |
ON5C17H21 |
AB5C17D21 |
71.28 |
4.35 |
-8.82 |
-0.53 |
0 |
|
|
130169 |
51075130 |
1 |
ON4H12C19 |
AB4C12D19 |
151.46 |
4.28 |
-9.4 |
-1.7 |
0 |
|
|
130170 |
51075134 |
1 |
OSN2C13H18 |
ABC2D13E18 |
-14.97 |
4.36 |
-9.12 |
-0.83 |
0 |
|
|
130171 |
51075139 |
1 |
O3N4C13H20 |
A3B4C13D20 |
-81.56 |
8.07 |
-9.21 |
0.0 |
0 |
|
|
130172 |
51075144 |
1 |
FSO2N5C13H16 |
ABC2D5E13F16 |
-25.85 |
5.51 |
-9.66 |
-0.93 |
0 |
|
|
130173 |
51075145 |
1 |
S2N3O4C12H15 |
A2B3C4D12E15 |
-98.73 |
3.98 |
-9.44 |
-1.34 |
0 |
|
|
130174 |
51075146 |
2 |
OSN2C7H12 |
ABC2D7E12 |
-36.4 |
8.33 |
-8.48 |
-0.2 |
0 |
|
|
130175 |
51075147 |
1 |
SN3O3C14H19 |
AB3C3D14E19 |
-91.47 |
5.48 |
-8.74 |
-0.21 |
0 |
|
|
130176 |
51075149 |
1 |
ON4C17H22 |
AB4C17D22 |
18.93 |
4.25 |
-8.64 |
-0.66 |
0 |
|
|
130177 |
51075152 |
1 |
ON3C19H19 |
AB3C19D19 |
48.23 |
4.78 |
-9.23 |
-0.53 |
0 |
|
|
130178 |
51075153 |
1 |
FN5H12C16 |
AB5C12D16 |
90.81 |
5.9 |
-9.11 |
-1.24 |
0 |
|
|
130179 |
51075154 |
1 |
FN4O4C15H19 |
AB4C4D15E19 |
-100.51 |
4.67 |
-9.41 |
-1.16 |
0 |
|
|
130180 |
51075157 |
1 |
FON4H15C17 |
ABC4D15E17 |
4.62 |
5.84 |
-8.86 |
-1.18 |
0 |
|
|
130181 |
51075158 |
1 |
O2N3C18H29 |
A2B3C18D29 |
-75.7 |
3.59 |
-8.51 |
0.37 |
0 |
|
|
130182 |
51075166 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-80.34 |
1.3 |
-9.65 |
-0.82 |
0 |
|
|
130183 |
51075167 |
1 |
OSN4C15H18 |
ABC4D15E18 |
24.8 |
5.24 |
-8.96 |
-0.38 |
0 |
|
|
130184 |
51075176 |
1 |
OSN5C16H27 |
ABC5D16E27 |
-18.62 |
3.43 |
-8.69 |
-0.28 |
0 |
|
|
130185 |
51075184 |
1 |
OSN5C17H23 |
ABC5D17E23 |
17.56 |
4.41 |
-8.53 |
-0.3 |
0 |
|
|
130186 |
51075185 |
2 |
NO2C7H9 |
AB2C7D9 |
-131.28 |
3.54 |
-8.99 |
-0.35 |
0 |
|
|
130187 |
51075190 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-49.27 |
2.74 |
-8.4 |
-0.03 |
0 |
|
|
130188 |
51075192 |
1 |
SO2N3C16H19 |
AB2C3D16E19 |
-32.13 |
3.06 |
-8.57 |
-0.27 |
0 |
|
|
130189 |
51075199 |
1 |
NO3C15H21 |
AB3C15D21 |
-114.08 |
2.62 |
-8.72 |
0.31 |
0 |
|
|
130190 |
51075200 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-12.44 |
5.57 |
-8.72 |
-0.44 |
0 |
|
|
130191 |
51075205 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-66.24 |
3.35 |
-8.71 |
0.66 |
0 |
|
|
130192 |
51075207 |
1 |
OSN2C11H16 |
ABC2D11E16 |
-14.77 |
3.03 |
-8.88 |
-0.05 |
0 |
|
|
130193 |
51075209 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-68.57 |
4.41 |
-8.77 |
0.33 |
0 |
|
|
130194 |
51075210 |
1 |
ON3C19H23 |
AB3C19D23 |
12.87 |
2.35 |
-8.75 |
-0.02 |
0 |
|
|
130195 |
51075211 |
1 |
ON3C20H21 |
AB3C20D21 |
12.94 |
5.39 |
-8.73 |
0.07 |
0 |
|
|
130196 |
51075215 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-69.69 |
6.47 |
-8.93 |
-0.25 |
0 |
|
|
130197 |
51075229 |
1 |
OSN6C14H18 |
ABC6D14E18 |
35.27 |
3.59 |
-8.88 |
-0.62 |
0 |
|
|
130198 |
51075231 |
1 |
OSN4C13H22 |
ABC4D13E22 |
-31.9 |
2.58 |
-8.72 |
-0.36 |
0 |
|
|
130199 |
51075232 |
1 |
OSN4C18H20 |
ABC4D18E20 |
49.87 |
5.22 |
-9.13 |
-0.64 |
0 |
|
|
130200 |
51075233 |
1 |
O2N5C15H19 |
A2B5C15D19 |
-30.91 |
7.59 |
-9.25 |
-0.75 |
0 |
|
|
130201 |
51075236 |
1 |
ON5C17H21 |
AB5C17D21 |
16.4 |
7.4 |
-9.49 |
-0.04 |
0 |
|
|
130202 |
51075237 |
1 |
SO2N4C15H18 |
AB2C4D15E18 |
-16.99 |
5.59 |
-8.24 |
-0.59 |
0 |
|
|
130203 |
51075238 |
1 |
SO2N4C16H20 |
AB2C4D16E20 |
-25.72 |
5.09 |
-8.33 |
-0.36 |
0 |
|
|
130204 |
51075242 |
1 |
OSN6C15H20 |
ABC6D15E20 |
34.98 |
3.52 |
-8.09 |
-0.49 |
0 |
|
|
130205 |
51075253 |
1 |
O2N5H17C19 |
A2B5C17D19 |
50.77 |
6.08 |
-9.28 |
-0.9 |
0 |
|
|
130206 |
51075259 |
1 |
ClN2C14H15 |
AB2C14D15 |
46.48 |
2.59 |
-9.16 |
-0.14 |
0 |