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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
314042 |
126619901 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-88.07 |
3.5 |
-9.82 |
-0.92 |
0 |
|
|
314043 |
126619957 |
1 |
N2O4C15H28 |
A2B4C15D28 |
-231.36 |
3.96 |
-9.33 |
0.43 |
0 |
|
|
314044 |
126619995 |
1 |
N2O5C18H32 |
A2B5C18D32 |
-255.95 |
4.9 |
-9.03 |
0.7 |
0 |
|
|
314045 |
126620052 |
1 |
O3N5C22H27 |
A3B5C22D27 |
-51.53 |
5.0 |
-8.37 |
-1.07 |
0 |
|
|
314046 |
126620091 |
1 |
NSO3C14H31 |
ABC3D14E31 |
-174.28 |
4.52 |
-9.09 |
0.96 |
0 |
|
|
314047 |
126620092 |
1 |
ClS2N9O11C55H72 |
AB2C9D11E55F72 |
-354.6 |
11.61 |
-9.34 |
-1.46 |
0 |
|
|
314048 |
126620093 |
1 |
NO2C11H23 |
AB2C11D23 |
-98.78 |
1.81 |
-9.48 |
0.78 |
0 |
|
|
314049 |
126620094 |
1 |
SN5O10C36H57 |
AB5C10D36E57 |
-406.74 |
2.36 |
-9.16 |
-0.73 |
0 |
|
|
314050 |
126620098 |
1 |
SN4O10C36H56 |
AB4C10D36E56 |
-411.47 |
5.79 |
-8.91 |
-0.4 |
0 |
|
|
314051 |
126620102 |
1 |
ClS2N9O9C52H66 |
AB2C9D9E52F66 |
-267.82 |
15.54 |
-8.15 |
-1.6 |
0 |
|
|
314052 |
126620125 |
1 |
BrSN2O3H15C17 |
ABC2D3E15F17 |
-50.61 |
9.35 |
-9.19 |
-1.98 |
0 |
|
|
314053 |
126620153 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-118.73 |
4.56 |
-9.75 |
-0.23 |
0 |
|
|
314054 |
126620154 |
1 |
ClF2S2O6N9C48H52 |
AB2C2D6E9F48G52 |
-187.15 |
8.55 |
-9.14 |
-1.34 |
0 |
|
|
314055 |
126620156 |
1 |
SO8N9C63H75 |
AB8C9D63E75 |
-172.8 |
14.77 |
-8.63 |
-1.16 |
0 |
|
|
314056 |
126620158 |
1 |
NSF2O4C12H15 |
ABC2D4E12F15 |
-207.95 |
7.24 |
-9.49 |
-0.83 |
0 |
|
|
314057 |
126620167 |
1 |
ClS2O5N11C55H72 |
AB2C5D11E55F72 |
-111.74 |
12.45 |
-8.63 |
-1.29 |
0 |
|
|
314058 |
126620199 |
1 |
NO3C9H19 |
AB3C9D19 |
-130.96 |
4.29 |
-9.13 |
0.49 |
0 |
|
|
314059 |
126620207 |
1 |
NI2O3H9C11 |
AB2C3D9E11 |
-21.55 |
4.86 |
-8.95 |
-2.05 |
0 |
|
|
314060 |
126620211 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-126.26 |
1.7 |
-8.94 |
-0.18 |
0 |
|
|
314061 |
126620218 |
1 |
NO3C14H17 |
AB3C14D17 |
-78.63 |
5.07 |
-8.91 |
-1.09 |
0 |
|
|
314062 |
126620219 |
1 |
FNOC11H16 |
ABCD11E16 |
-85.43 |
3.32 |
-8.97 |
0.32 |
0 |
|
|
314063 |
126620222 |
1 |
FINO2H13C14 |
ABCD2E13F14 |
-16.19 |
5.98 |
-9.31 |
-2.1 |
0 |
|
|
314064 |
126620237 |
1 |
ClS2O6N10C54H69 |
AB2C6D10E54F69 |
-165.4 |
1.67 |
-8.86 |
-0.88 |
0 |
|
|
314065 |
126620241 |
1 |
ClS2O5N11C54H68 |
AB2C5D11E54F68 |
-105.89 |
11.61 |
-8.42 |
-1.42 |
0 |
|
|
314066 |
126620248 |
1 |
FN2O5C13H15 |
AB2C5D13E15 |
-243.96 |
6.67 |
-10.21 |
-1.13 |
0 |
|
|
314067 |
126620251 |
1 |
ClN4C14H17 |
AB4C14D17 |
36.42 |
2.05 |
-8.56 |
0.05 |
0 |
|
|
314068 |
126620270 |
1 |
ClN3O4C26H30 |
AB3C4D26E30 |
-157.46 |
7.32 |
-9.19 |
-0.9 |
0 |
|
|
314069 |
126620274 |
1 |
SO3N4C31H38 |
AB3C4D31E38 |
-83.11 |
3.12 |
-9.05 |
-0.62 |
0 |
|
|
314070 |
126620276 |
1 |
ISO3N5C25H28 |
ABC3D5E25F28 |
-19.25 |
2.11 |
-9.31 |
-0.97 |
0 |
|
|
314071 |
126620281 |
1 |
IO4N5C24H28 |
AB4C5D24E28 |
-73.24 |
3.1 |
-9.08 |
-1.03 |
0 |
|
|
314072 |
126620283 |
1 |
SO4N5C26H33 |
AB4C5D26E33 |
-113.92 |
4.97 |
-9.4 |
-0.82 |
0 |
|
|
314073 |
126620303 |
1 |
O3C10H16 |
A3B10C16 |
-112.83 |
2.49 |
-9.89 |
0.79 |
0 |
|
|
314074 |
126620307 |
1 |
N2O5C26H34 |
A2B5C26D34 |
-197.8 |
5.24 |
-8.3 |
0.05 |
0 |
|
|
314075 |
126620324 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-79.03 |
5.62 |
-8.74 |
0.96 |
0 |
|
|
314076 |
126620337 |
1 |
NO6C21H23 |
AB6C21D23 |
-140.13 |
6.96 |
-9.34 |
-0.73 |
0 |
|
|
314077 |
126620340 |
1 |
O2N5C16H17 |
A2B5C16D17 |
-21.09 |
7.96 |
-8.87 |
-0.43 |
0 |
|
|
314078 |
126620342 |
1 |
ON4C16H18 |
AB4C16D18 |
29.06 |
3.67 |
-8.25 |
-0.18 |
0 |
|
|
314079 |
126620343 |
1 |
ON4C17H20 |
AB4C17D20 |
31.3 |
3.36 |
-8.31 |
-0.25 |
0 |
|
|
314082 |
126620362 |
1 |
NC11H23 |
AB11C23 |
-19.38 |
1.52 |
-8.71 |
2.71 |
0 |
|
|
314083 |
126620363 |
1 |
FO5C31H37 |
AB5C31D37 |
-199.74 |
2.18 |
-8.48 |
-0.24 |
0 |
|
|
314084 |
126620364 |
1 |
ISN3O4H16C21 |
ABC3D4E16F21 |
-10.67 |
7.8 |
-9.15 |
-1.4 |
0 |
|
|
314085 |
126620365 |
2 |
O3C7H7 |
A3B7C7 |
-237.96 |
9.16 |
-10.89 |
-0.37 |
0 |
|
|
314086 |
126620366 |
1 |
NO2C14H15 |
AB2C14D15 |
-50.83 |
2.95 |
-8.49 |
-0.3 |
0 |
|
|
314087 |
126620369 |
1 |
NO7C18H19 |
AB7C18D19 |
-162.69 |
7.91 |
-9.4 |
-0.6 |
0 |
|
|
314088 |
126620374 |
1 |
F3O3H17C19 |
A3B3C17D19 |
-216.45 |
4.27 |
-8.7 |
-1.05 |
0 |
|
|
314089 |
126620375 |
1 |
IO3C9H9 |
AB3C9D9 |
-69.55 |
5.17 |
-9.0 |
-1.24 |
0 |
|
|
314090 |
126620376 |
1 |
NSO3C13H15 |
ABC3D13E15 |
-74.31 |
4.56 |
-8.84 |
-0.77 |
0 |
|
|
314091 |
126620380 |
1 |
OH14C17 |
AB14C17 |
28.09 |
0.7 |
-8.57 |
-0.34 |
0 |
|
|
314092 |
126620383 |
1 |
ClSO2N8H13C17 |
ABC2D8E13F17 |
155.28 |
2.71 |
-8.97 |
-1.92 |
0 |
|
|
314093 |
126620384 |
1 |
ClN2O5H17C18 |
AB2C5D17E18 |
-89.74 |
4.11 |
-10.15 |
-1.28 |
0 |
|
|
314094 |
126620389 |
1 |
N2O5H20C21 |
A2B5C20D21 |
-69.37 |
5.86 |
-10.02 |
-0.94 |
0 |
|
|
314095 |
126620392 |
1 |
ClSO2N5C17H18 |
ABC2D5E17F18 |
12.37 |
3.74 |
-8.75 |
-1.17 |
0 |
|
|
314096 |
126620393 |
1 |
FO2H23C25 |
AB2C23D25 |
-48.86 |
1.12 |
-8.52 |
-0.65 |
0 |
|
|
314097 |
126620395 |
1 |
ClSN3O3C14H14 |
ABC3D3E14F14 |
-46.39 |
4.87 |
-9.19 |
-1.22 |
0 |
|
|
314098 |
126620396 |
1 |
SN2O3C12H12 |
AB2C3D12E12 |
-54.26 |
4.98 |
-8.84 |
-0.71 |
0 |
|
|
314099 |
126620397 |
1 |
S2O6N9C22H23 |
A2B6C9D22E23 |
-67.7 |
7.92 |
-8.92 |
-1.12 |
0 |
|
|
314100 |
126620399 |
1 |
SO3N5C11H13 |
AB3C5D11E13 |
-51.39 |
8.74 |
-9.06 |
-1.08 |
0 |
|
|
314101 |
126620400 |
1 |
SN3O5C12H13 |
AB3C5D12E13 |
-121.39 |
2.65 |
-8.8 |
-1.01 |
0 |
|
|
314102 |
126620401 |
1 |
S2O5N9H21C24 |
A2B5C9D21E24 |
-8.9 |
10.54 |
-9.26 |
-1.36 |
0 |
|
|
314103 |
126620402 |
1 |
OSN8H16C18 |
ABC8D16E18 |
205.19 |
3.7 |
-8.8 |
-1.43 |
0 |
|
|
314104 |
126620404 |
1 |
O2F3H13C14 |
A2B3C13D14 |
-201.93 |
5.16 |
-8.9 |
-0.86 |
0 |
|
|
314105 |
126620420 |
1 |
NSH37C56 |
ABC37D56 |
237.03 |
3.73 |
-8.2 |
-0.94 |
0 |
|
|
314106 |
126620421 |
1 |
NSH41C62 |
ABC41D62 |
257.88 |
3.35 |
-8.22 |
-0.77 |
0 |
|
|
314107 |
126620422 |
1 |
NSH41C62 |
ABC41D62 |
258.29 |
2.2 |
-8.21 |
-0.84 |
0 |
|
|
314108 |
126620441 |
1 |
NS2H39C62 |
AB2C39D62 |
263.43 |
3.64 |
-8.15 |
-0.76 |
0 |
|
|
314109 |
126620446 |
1 |
O3N4C14H14 |
A3B4C14D14 |
-65.93 |
3.87 |
-9.36 |
-1.23 |
0 |
|
|
314110 |
126620448 |
2 |
NOC19H32 |
ABC19D32 |
-127.98 |
1.74 |
-8.65 |
0.1 |
0 |
|
|
314111 |
126620458 |
1 |
SN3H25C44 |
AB3C25D44 |
242.34 |
8.19 |
-8.59 |
-0.91 |
0 |
|
|
314112 |
126620464 |
1 |
SO3N5C13H15 |
AB3C5D13E15 |
-20.12 |
6.56 |
-8.64 |
-0.77 |
0 |
|
|
314113 |
126620471 |
1 |
F3C30H31 |
A3B30C31 |
-89.49 |
1.66 |
-9.08 |
-0.38 |
0 |
|
|
314114 |
126620474 |
1 |
SN3O3C13H17 |
AB3C3D13E17 |
-81.57 |
5.02 |
-8.91 |
-1.28 |
0 |
|
|
314115 |
126620488 |
1 |
N5O8C38H73 |
A5B8C38D73 |
-474.75 |
3.96 |
-9.39 |
0.58 |
0 |
|
|
314116 |
126620493 |
1 |
N4O15C41H68 |
A4B15C41D68 |
-786.91 |
11.42 |
-10.5 |
-0.47 |
0 |
|
|
314117 |
126620494 |
1 |
IPN6O18C51H86 |
ABC6D18E51F86 |
-929.91 |
10.06 |
-8.72 |
-1.3 |
0 |
|
|
314118 |
126620510 |
1 |
BrO2C13H17 |
AB2C13D17 |
-93.14 |
3.73 |
-9.4 |
-0.12 |
0 |
|
|
314119 |
126620511 |
1 |
NC12H27 |
AB12C27 |
-52.65 |
1.59 |
-8.74 |
3.2 |
0 |
|
|
314120 |
126620512 |
1 |
N6O12C47H88 |
A6B12C47D88 |
-666.78 |
10.02 |
-9.56 |
0.47 |
0 |
|
|
314121 |
126620520 |
1 |
N4O15C41H72 |
A4B15C41D72 |
-750.43 |
10.28 |
-10.13 |
-0.32 |
0 |
|
|
314122 |
126620523 |
1 |
O3C15H20 |
A3B15C20 |
-125.21 |
2.86 |
-8.58 |
0.1 |
0 |
|
|
314123 |
126620530 |
1 |
NH43C64 |
AB43C64 |
261.56 |
2.5 |
-8.24 |
-0.76 |
0 |
|
|
314124 |
126620532 |
1 |
NH43C64 |
AB43C64 |
267.43 |
2.59 |
-8.1 |
-0.84 |
0 |
|
|
314125 |
126620537 |
1 |
NSH25C38 |
ABC25D38 |
166.18 |
1.51 |
-8.23 |
-0.81 |
0 |
|
|
314126 |
126620548 |
1 |
NF3H34C51 |
AB3C34D51 |
44.73 |
1.79 |
-8.31 |
-0.98 |
0 |
|
|
314127 |
126620550 |
1 |
NF3H34C51 |
AB3C34D51 |
45.06 |
1.86 |
-8.28 |
-0.89 |
0 |
|
|
314128 |
126620551 |
1 |
NH31C45 |
AB31C45 |
197.01 |
2.23 |
-8.13 |
-0.78 |
0 |
|
|
314129 |
126620552 |
1 |
NH35C53 |
AB35C53 |
230.62 |
2.39 |
-8.17 |
-0.79 |
0 |
|
|
314130 |
126620554 |
1 |
NH43C61 |
AB43C61 |
230.38 |
3.21 |
-8.08 |
-0.81 |
0 |
|
|
314131 |
126620555 |
1 |
NH49C69 |
AB49C69 |
253.95 |
4.0 |
-8.05 |
-0.67 |
0 |
|
|
314132 |
126620556 |
1 |
NSH39C54 |
ABC39D54 |
246.77 |
10.03 |
-6.54 |
-0.37 |
0 |
|
|
314133 |
126620558 |
1 |
F3C29H29 |
A3B29C29 |
-80.8 |
2.3 |
-9.24 |
-0.39 |
0 |
|
|
314134 |
126620562 |
1 |
NH35C52 |
AB35C52 |
211.99 |
2.58 |
-8.34 |
-0.45 |
0 |
|
|
314135 |
126620567 |
1 |
NH33C48 |
AB33C48 |
202.48 |
2.04 |
-8.15 |
-0.63 |
0 |
|
|
314136 |
126620569 |
1 |
NH47C65 |
AB47C65 |
267.65 |
1.87 |
-8.09 |
-0.51 |
0 |
|
|
314137 |
126620571 |
1 |
NH41C57 |
AB41C57 |
257.06 |
1.82 |
-7.98 |
-0.61 |
0 |
|
|
314138 |
126620573 |
1 |
NH27C40 |
AB27C40 |
173.74 |
2.96 |
-8.2 |
-0.86 |
0 |
|
|
314139 |
126620575 |
1 |
NH41C60 |
AB41C60 |
248.48 |
2.41 |
-8.15 |
-0.64 |
0 |
|
|
314140 |
126620580 |
1 |
NSH29C44 |
ABC29D44 |
191.07 |
3.51 |
-8.19 |
-0.93 |
0 |
|
|
314141 |
126620582 |
1 |
NSH29C44 |
ABC29D44 |
190.16 |
2.75 |
-8.2 |
-0.71 |
0 |
|
|
314142 |
126620583 |
1 |
NOH33C50 |
ABC33D50 |
184.04 |
2.85 |
-8.2 |
-0.89 |
0 |
|
|
314143 |
126620584 |
1 |
NSH29C44 |
ABC29D44 |
189.3 |
2.07 |
-8.24 |
-0.82 |
0 |