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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
442060 |
135248892 |
1 |
ClSF3N3O3H17C23 |
ABC3D3E3F17G23 |
-169.17 |
6.17 |
-9.42 |
-1.01 |
0 |
|
|
442061 |
135248895 |
1 |
ClFSN3O3H21C24 |
ABCD3E3F21G24 |
-87.4 |
6.5 |
-9.03 |
-0.79 |
0 |
|
|
442062 |
135248914 |
1 |
OF2N2C19H28 |
AB2C2D19E28 |
-126.25 |
2.5 |
-8.37 |
0.32 |
0 |
|
|
442063 |
135248926 |
1 |
NO2C20H31 |
AB2C20D31 |
-115.01 |
7.85 |
-9.94 |
0.43 |
0 |
|
|
442064 |
135248940 |
1 |
NC8H15 |
AB8C15 |
4.8 |
1.93 |
-8.7 |
1.74 |
0 |
|
|
442065 |
135248951 |
1 |
FPN2S2O13C20H30 |
ABC2D2E13F20G30 |
-672.18 |
9.59 |
-9.11 |
-1.3 |
0 |
|
|
442066 |
135248982 |
1 |
PN2S3O10C21H35 |
AB2C3D10E21F35 |
-534.92 |
3.92 |
-9.36 |
-1.33 |
0 |
|
|
442067 |
135248990 |
1 |
PN2S2O13C26H35 |
AB2C2D13E26F35 |
-530.82 |
3.05 |
-9.1 |
-1.13 |
0 |
|
|
442068 |
135249023 |
2 |
O2F3H19C22 |
A2B3C19D22 |
-321.83 |
1.66 |
-8.16 |
-1.62 |
0 |
|
|
442069 |
135249024 |
2 |
OF3C25H25 |
AB3C25D25 |
-292.41 |
3.48 |
-9.07 |
-1.18 |
0 |
|
|
442070 |
135249057 |
1 |
O4N5C36H47 |
A4B5C36D47 |
-158.3 |
8.94 |
-9.02 |
-0.45 |
0 |
|
|
442071 |
135249072 |
1 |
O3N6C32H40 |
A3B6C32D40 |
-74.04 |
9.62 |
-8.4 |
-0.4 |
0 |
|
|
442072 |
135249114 |
1 |
O3N5C29H35 |
A3B5C29D35 |
-85.65 |
7.65 |
-8.6 |
-0.35 |
0 |
|
|
442074 |
135249243 |
1 |
SO2N5C24H27 |
AB2C5D24E27 |
22.72 |
4.67 |
-8.71 |
-0.9 |
0 |
|
|
442075 |
135249278 |
1 |
NO2C6H15 |
AB2C6D15 |
-96.45 |
1.99 |
-10.22 |
1.29 |
0 |
|
|
442076 |
135249313 |
1 |
OF4N4H16C21 |
AB4C4D16E21 |
-111.92 |
2.62 |
-9.38 |
-1.23 |
0 |
|
|
442077 |
135249357 |
1 |
N6H22C23 |
A6B22C23 |
129.41 |
1.47 |
-8.34 |
-0.26 |
0 |
|
|
442078 |
135249364 |
1 |
ON7C25H27 |
AB7C25D27 |
97.14 |
1.97 |
-9.1 |
-0.94 |
0 |
|
|
442079 |
135249374 |
1 |
ON4H18C22 |
AB4C18D22 |
58.4 |
7.64 |
-8.75 |
-0.56 |
0 |
|
|
442080 |
135249416 |
1 |
ON6C18H18 |
AB6C18D18 |
110.47 |
10.91 |
-8.19 |
-0.5 |
0 |
|
|
442081 |
135249423 |
1 |
ON5H19C21 |
AB5C19D21 |
123.59 |
2.16 |
-8.62 |
-1.21 |
0 |
|
|
442082 |
135249426 |
2 |
FON3C12H12 |
ABC3D12E12 |
-62.15 |
3.98 |
-8.9 |
-0.74 |
0 |
|
|
442083 |
135249479 |
2 |
NO2C7H14 |
AB2C7D14 |
-196.51 |
2.44 |
-8.94 |
0.1 |
0 |
|
|
442084 |
135249500 |
1 |
ClON6C26H27 |
ABC6D26E27 |
76.73 |
4.66 |
-9.06 |
-1.01 |
0 |
|
|
442085 |
135249536 |
1 |
ON6C25H26 |
AB6C25D26 |
66.11 |
8.11 |
-8.08 |
0.04 |
0 |
|
|
442086 |
135249557 |
1 |
ON5H21C23 |
AB5C21D23 |
102.39 |
5.86 |
-8.95 |
-0.95 |
0 |
|
|
442087 |
135249574 |
1 |
SN4H20C22 |
AB4C20D22 |
136.47 |
1.12 |
-8.37 |
-0.65 |
0 |
|
|
442088 |
135249585 |
1 |
ON5H23C24 |
AB5C23D24 |
75.39 |
9.23 |
-8.63 |
-0.39 |
0 |
|
|
442089 |
135249713 |
1 |
N2H42C53 |
A2B42C53 |
189.72 |
2.0 |
-8.22 |
-1.07 |
0 |
|
|
442090 |
135249749 |
1 |
SN2H32C44 |
AB2C32D44 |
179.87 |
0.87 |
-8.24 |
-1.07 |
0 |
|
|
442091 |
135249761 |
1 |
ON2H40C51 |
AB2C40D51 |
151.14 |
1.59 |
-8.48 |
-1.0 |
0 |
|
|
442092 |
135249765 |
1 |
ON2H36C49 |
AB2C36D49 |
164.21 |
1.72 |
-8.49 |
-1.03 |
0 |
|
|
442093 |
135249788 |
1 |
N3H43C52 |
A3B43C52 |
229.46 |
3.16 |
-8.25 |
-1.6 |
0 |
|
|
442094 |
135249789 |
1 |
ON3H35C44 |
AB3C35D44 |
126.34 |
1.25 |
-8.24 |
-0.87 |
0 |
|
|
442095 |
135249792 |
2 |
NH23C29 |
AB23C29 |
210.69 |
2.28 |
-8.3 |
-0.87 |
0 |
|
|
442096 |
135249795 |
1 |
N3H43C52 |
A3B43C52 |
186.21 |
1.48 |
-8.32 |
-0.94 |
0 |
|
|
442097 |
135249797 |
1 |
ON2H28C41 |
AB2C28D41 |
139.2 |
2.05 |
-8.2 |
-0.83 |
0 |
|
|
442098 |
135249798 |
1 |
ON2H32C43 |
AB2C32D43 |
121.29 |
2.09 |
-8.17 |
-0.84 |
0 |
|
|
442099 |
135249799 |
1 |
ON3H31C42 |
AB3C31D42 |
139.4 |
1.49 |
-8.26 |
-0.89 |
0 |
|
|
442100 |
135249804 |
1 |
N3H41C51 |
A3B41C51 |
187.33 |
3.79 |
-8.13 |
-0.82 |
0 |
|
|
442101 |
135249812 |
1 |
ON3H27C40 |
AB3C27D40 |
150.34 |
4.51 |
-8.26 |
-0.98 |
0 |
|
|
442102 |
135249814 |
1 |
N3H39C46 |
A3B39C46 |
151.15 |
0.89 |
-8.19 |
-0.8 |
0 |
|
|
442103 |
135249820 |
1 |
SN3H35C44 |
AB3C35D44 |
164.37 |
2.49 |
-8.23 |
-0.92 |
0 |
|
|
442104 |
135249821 |
1 |
SN3H31C42 |
AB3C31D42 |
174.99 |
3.99 |
-8.25 |
-0.94 |
0 |
|
|
442105 |
135249855 |
2 |
ON2H17C20 |
AB2C17D20 |
79.81 |
6.37 |
-8.52 |
-1.32 |
0 |
|
|
442106 |
135249860 |
2 |
ON2H21C22 |
AB2C21D22 |
55.4 |
3.83 |
-8.36 |
-1.14 |
0 |
|
|
442107 |
135249862 |
1 |
SO3N5C25H25 |
AB3C5D25E25 |
7.71 |
2.88 |
-8.78 |
-1.36 |
0 |
|
|
442108 |
135249869 |
2 |
N3C23H24 |
A3B23C24 |
133.07 |
0.78 |
-8.27 |
-1.13 |
0 |
|
|
442109 |
135249871 |
2 |
N3H26C28 |
A3B26C28 |
208.27 |
2.54 |
-8.22 |
-1.2 |
0 |
|
|
442110 |
135249873 |
2 |
N3H26C28 |
A3B26C28 |
207.21 |
6.46 |
-8.28 |
-1.16 |
0 |
|
|
442111 |
135249878 |
2 |
NOH12C16 |
ABC12D16 |
66.13 |
2.02 |
-8.34 |
-1.06 |
0 |
|
|
442112 |
135249880 |
2 |
NOH16C18 |
ABC16D18 |
35.31 |
1.99 |
-8.3 |
-1.03 |
0 |
|
|
442113 |
135249893 |
2 |
N2C21H23 |
A2B21C23 |
88.75 |
3.46 |
-8.33 |
-1.06 |
0 |
|
|
442114 |
135249899 |
2 |
ON2C19H19 |
AB2C19D19 |
35.91 |
2.22 |
-8.44 |
-1.2 |
0 |
|
|
442115 |
135249900 |
2 |
ON2H15C17 |
AB2C15D17 |
64.3 |
2.51 |
-8.33 |
-1.07 |
0 |
|
|
442116 |
135249901 |
2 |
ON2H15C17 |
AB2C15D17 |
69.16 |
1.53 |
-8.35 |
-1.09 |
0 |
|
|
442117 |
135249904 |
2 |
ON2H15C17 |
AB2C15D17 |
57.04 |
6.47 |
-8.54 |
-1.31 |
0 |
|
|
442118 |
135249911 |
2 |
N3H20C23 |
A3B20C23 |
209.94 |
2.31 |
-8.41 |
-1.32 |
0 |
|
|
442119 |
135249918 |
2 |
N3H24C25 |
A3B24C25 |
186.33 |
6.55 |
-8.28 |
-1.12 |
0 |
|
|
442120 |
135249922 |
1 |
N2S2H38C47 |
A2B2C38D47 |
160.89 |
0.48 |
-8.65 |
-0.82 |
0 |
|
|
442121 |
135249933 |
1 |
N4H52C53 |
A4B52C53 |
136.41 |
1.63 |
-8.52 |
-0.65 |
0 |
|
|
442122 |
135249941 |
1 |
O2N4H36C45 |
A2B4C36D45 |
114.2 |
0.86 |
-8.67 |
-1.02 |
0 |
|
|
442123 |
135249945 |
1 |
O2N4H44C49 |
A2B4C44D49 |
76.83 |
1.23 |
-8.68 |
-1.19 |
0 |
|
|
442124 |
135249954 |
1 |
N6H50C51 |
A6B50C51 |
156.91 |
3.08 |
-8.49 |
-0.91 |
0 |
|
|
442125 |
135249959 |
1 |
FN6H17C22 |
AB6C17D22 |
132.23 |
3.9 |
-8.82 |
-1.1 |
0 |
|
|
442126 |
135249964 |
1 |
O2N4H36C45 |
A2B4C36D45 |
97.1 |
6.72 |
-8.79 |
-0.98 |
0 |
|
|
442127 |
135249969 |
1 |
S2N4H36C45 |
A2B4C36D45 |
182.46 |
5.69 |
-8.79 |
-0.99 |
0 |
|
|
442128 |
135249971 |
1 |
S2N4H44C49 |
A2B4C44D49 |
161.26 |
0.62 |
-8.72 |
-1.04 |
0 |
|
|
442129 |
135249975 |
1 |
N6H50C51 |
A6B50C51 |
214.62 |
1.14 |
-8.46 |
-0.97 |
0 |
|
|
442130 |
135249996 |
1 |
O2N3C26H27 |
A2B3C26D27 |
19.63 |
3.66 |
-8.54 |
-0.73 |
0 |
|
|
442131 |
135250003 |
1 |
O2N4H40C49 |
A2B4C40D49 |
119.47 |
0.69 |
-8.49 |
-1.26 |
0 |
|
|
442132 |
135250008 |
1 |
ON5H17C21 |
AB5C17D21 |
65.6 |
7.9 |
-8.56 |
-0.58 |
0 |
|
|
442133 |
135250009 |
1 |
S2N4H48C53 |
A2B4C48D53 |
174.43 |
1.79 |
-8.41 |
-1.19 |
0 |
|
|
442134 |
135250020 |
1 |
ON4H22C23 |
AB4C22D23 |
100.6 |
1.53 |
-8.42 |
-0.93 |
0 |
|
|
442135 |
135250041 |
1 |
N2O2H40C51 |
A2B2C40D51 |
92.64 |
2.12 |
-8.48 |
-0.9 |
0 |
|
|
442136 |
135250043 |
1 |
N2O2H32C47 |
A2B2C32D47 |
129.11 |
2.2 |
-8.5 |
-1.0 |
0 |
|
|
442137 |
135250045 |
1 |
ON4H24C26 |
AB4C24D26 |
97.81 |
3.74 |
-8.39 |
-0.58 |
0 |
|
|
442138 |
135250051 |
1 |
N2O2H40C51 |
A2B2C40D51 |
98.49 |
2.1 |
-8.44 |
-0.83 |
0 |
|
|
442139 |
135250052 |
1 |
N2S2H48C55 |
A2B2C48D55 |
152.9 |
1.24 |
-8.44 |
-0.84 |
0 |
|
|
442140 |
135250053 |
1 |
N2S2H40C51 |
A2B2C40D51 |
178.02 |
0.93 |
-8.46 |
-0.92 |
0 |
|
|
442141 |
135250059 |
1 |
N4H54C57 |
A4B54C57 |
153.17 |
1.59 |
-8.3 |
-0.8 |
0 |
|
|
442142 |
135250063 |
1 |
N4H58C67 |
A4B58C67 |
222.81 |
4.13 |
-8.34 |
-0.76 |
0 |
|
|
442143 |
135250068 |
1 |
N4H58C67 |
A4B58C67 |
222.43 |
3.75 |
-8.37 |
-0.8 |
0 |
|
|
442144 |
135250071 |
1 |
O2N4H30C45 |
A2B4C30D45 |
161.94 |
0.7 |
-8.51 |
-1.09 |
0 |
|
|
442145 |
135250075 |
1 |
S2N4H38C49 |
A2B4C38D49 |
200.28 |
3.02 |
-8.52 |
-1.13 |
0 |
|
|
442146 |
135250078 |
1 |
ON7C21H21 |
AB7C21D21 |
123.05 |
7.52 |
-8.08 |
-0.4 |
0 |
|
|
442147 |
135250092 |
1 |
O2N4H16C17 |
A2B4C16D17 |
47.49 |
2.33 |
-8.72 |
-1.1 |
0 |
|
|
442148 |
135250110 |
1 |
N2O2H30C41 |
A2B2C30D41 |
96.12 |
2.11 |
-8.48 |
-1.0 |
0 |
|
|
442149 |
135250113 |
1 |
N6H52C55 |
A6B52C55 |
188.64 |
7.85 |
-8.6 |
-1.02 |
0 |
|
|
442150 |
135250122 |
5 |
NH11C12 |
AB11C12 |
196.24 |
1.07 |
-8.09 |
-0.73 |
0 |
|
|
442151 |
135250126 |
1 |
O2N5H27C38 |
A2B5C27D38 |
125.11 |
4.89 |
-8.27 |
-1.18 |
0 |
|
|
442152 |
135250128 |
1 |
S2N3H45C48 |
A2B3C45D48 |
125.96 |
4.33 |
-8.1 |
-0.72 |
0 |
|
|
442153 |
135250131 |
1 |
O2N5H35C42 |
A2B5C35D42 |
88.88 |
2.27 |
-8.22 |
-1.03 |
0 |
|
|
442154 |
135250132 |
1 |
O2N5H27C38 |
A2B5C27D38 |
135.51 |
3.64 |
-8.19 |
-0.95 |
0 |
|
|
442155 |
135250133 |
1 |
O2N5H35C42 |
A2B5C35D42 |
105.02 |
2.38 |
-8.19 |
-0.96 |
0 |
|
|
442156 |
135250139 |
1 |
O2N5H35C42 |
A2B5C35D42 |
102.02 |
2.46 |
-8.4 |
-1.03 |
0 |
|
|
442157 |
135250173 |
1 |
O2N5H35C42 |
A2B5C35D42 |
88.7 |
3.14 |
-8.2 |
-1.09 |
0 |
|
|
442158 |
135250179 |
1 |
O2N5H43C46 |
A2B5C43D46 |
67.76 |
5.69 |
-8.16 |
-1.1 |
0 |
|
|
442159 |
135250188 |
1 |
N7C48H49 |
A7B48C49 |
150.79 |
1.95 |
-8.07 |
-0.81 |
0 |
|
|
442160 |
135250189 |
1 |
N7C48H49 |
A7B48C49 |
147.81 |
1.21 |
-8.18 |
-0.87 |
0 |