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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
443369 |
135258746 |
1 |
N2O3H24C28 |
A2B3C24D28 |
4.86 |
3.3 |
-8.27 |
-0.84 |
0 |
|
|
443370 |
135258747 |
1 |
ON2F3H23C28 |
AB2C3D23E28 |
-104.41 |
7.15 |
-8.41 |
-0.92 |
0 |
|
|
443371 |
135258749 |
1 |
SO2N3C13H15 |
AB2C3D13E15 |
-54.31 |
4.14 |
-8.68 |
-0.74 |
0 |
|
|
443372 |
135258750 |
1 |
SO3N7C28H33 |
AB3C7D28E33 |
-51.23 |
6.95 |
-8.43 |
-1.13 |
0 |
|
|
443373 |
135258751 |
1 |
SO3N6C28H28 |
AB3C6D28E28 |
10.57 |
7.89 |
-8.48 |
-1.22 |
0 |
|
|
443374 |
135258752 |
1 |
SO3N6C29H30 |
AB3C6D29E30 |
-2.16 |
7.43 |
-8.61 |
-1.32 |
0 |
|
|
443375 |
135258753 |
1 |
SO4N5C24H25 |
AB4C5D24E25 |
-106.33 |
4.63 |
-8.6 |
-1.26 |
0 |
|
|
443376 |
135258754 |
1 |
SO4N5H21C22 |
AB4C5D21E22 |
-97.11 |
4.25 |
-8.88 |
-1.53 |
0 |
|
|
443377 |
135258766 |
1 |
ClSO4N6C28H29 |
ABC4D6E28F29 |
-97.39 |
9.63 |
-8.61 |
-1.39 |
0 |
|
|
443378 |
135258771 |
1 |
SF3O3N7C31H40 |
AB3C3D7E31F40 |
-257.97 |
5.61 |
-8.53 |
-1.21 |
0 |
|
|
443379 |
135258775 |
1 |
ClSO3N7C27H30 |
ABC3D7E27F30 |
-52.07 |
8.45 |
-8.63 |
-1.44 |
0 |
|
|
443380 |
135258777 |
1 |
SO3N7C27H31 |
AB3C7D27E31 |
-59.14 |
8.77 |
-8.46 |
-1.16 |
0 |
|
|
443381 |
135258786 |
1 |
SO3N6C31H36 |
AB3C6D31E36 |
-82.68 |
1.99 |
-8.6 |
-1.28 |
0 |
|
|
443382 |
135258787 |
1 |
SO3N6C27H30 |
AB3C6D27E30 |
-62.78 |
8.42 |
-8.48 |
-1.18 |
0 |
|
|
443383 |
135258796 |
1 |
SO3N7C27H33 |
AB3C7D27E33 |
-71.76 |
7.54 |
-8.41 |
-1.12 |
0 |
|
|
443384 |
135258800 |
1 |
PN4O10C21H29 |
AB4C10D21E29 |
-448.03 |
2.78 |
-9.46 |
-0.36 |
0 |
|
|
443385 |
135258802 |
1 |
PN4O12C22H29 |
AB4C12D22E29 |
-511.71 |
3.97 |
-9.51 |
-0.34 |
0 |
|
|
443386 |
135258804 |
1 |
PN4O12C31H39 |
AB4C12D31E39 |
-522.57 |
5.28 |
-9.41 |
-0.42 |
0 |
|
|
443387 |
135258805 |
1 |
S2O3N5C25H27 |
A2B3C5D25E27 |
-56.17 |
3.87 |
-8.65 |
-1.37 |
0 |
|
|
443388 |
135258807 |
1 |
ClSO2N5H18C19 |
ABC2D5E18F19 |
-28.65 |
6.88 |
-8.63 |
-1.44 |
0 |
|
|
443389 |
135258808 |
1 |
PN4O11C23H29 |
AB4C11D23E29 |
-447.75 |
8.3 |
-9.81 |
-0.6 |
0 |
|
|
443390 |
135258810 |
1 |
ClSO3N7H24C26 |
ABC3D7E24F26 |
-16.16 |
9.54 |
-8.67 |
-1.46 |
0 |
|
|
443391 |
135258827 |
1 |
ClSO3N6C27H29 |
ABC3D6E27F29 |
-62.99 |
7.2 |
-8.71 |
-1.43 |
0 |
|
|
443392 |
135258828 |
1 |
ClSO3N7C29H34 |
ABC3D7E29F34 |
-78.0 |
9.01 |
-8.58 |
-1.36 |
0 |
|
|
443393 |
135258829 |
1 |
ClSO3N6C26H27 |
ABC3D6E26F27 |
-57.99 |
9.5 |
-8.55 |
-1.33 |
0 |
|
|
443394 |
135258838 |
1 |
N3O6C17H25 |
A3B6C17D25 |
-261.1 |
7.9 |
-9.38 |
-0.2 |
0 |
|
|
443395 |
135258844 |
1 |
ClSO3N7H26C27 |
ABC3D7E26F27 |
-23.86 |
9.72 |
-8.66 |
-1.42 |
0 |
|
|
443396 |
135258853 |
1 |
N2O2H32C37 |
A2B2C32D37 |
25.51 |
3.16 |
-7.94 |
-0.38 |
0 |
|
|
443397 |
135258857 |
1 |
NC18H19 |
AB18C19 |
48.53 |
1.59 |
-7.91 |
-0.81 |
0 |
|
|
443398 |
135258859 |
1 |
SN2O2H38C54 |
AB2C2D38E54 |
172.25 |
4.14 |
-8.3 |
-1.26 |
0 |
|
|
443399 |
135258860 |
1 |
IN2C5H13 |
AB2C5D13 |
12.57 |
4.22 |
-8.58 |
-0.57 |
0 |
|
|
443400 |
135258862 |
1 |
ON3H31C53 |
AB3C31D53 |
241.33 |
2.99 |
-8.39 |
-1.07 |
0 |
|
|
443401 |
135258865 |
2 |
N2S2H21C33 |
A2B2C21D33 |
422.71 |
0.17 |
-7.66 |
-2.86 |
0 |
|
|
443402 |
135258866 |
2 |
SN2H25C33 |
AB2C25D33 |
290.11 |
1.73 |
-7.88 |
-0.69 |
0 |
|
|
443403 |
135258872 |
1 |
OS5N12H66C104 |
AB5C12D66E104 |
673.15 |
3.68 |
-8.08 |
-1.54 |
0 |
|
|
443404 |
135258875 |
2 |
SN3H34C46 |
AB3C34D46 |
462.78 |
6.0 |
-7.87 |
-1.75 |
0 |
|
|
443405 |
135258888 |
2 |
NC7H11 |
AB7C11 |
-10.07 |
2.49 |
-9.62 |
-0.07 |
0 |
|
|
443406 |
135258896 |
1 |
N4O11C28H36 |
A4B11C28D36 |
-458.17 |
3.69 |
-9.48 |
-0.26 |
0 |
|
|
443407 |
135258900 |
1 |
N4O9C20H24 |
A4B9C20D24 |
-330.26 |
3.75 |
-9.49 |
-0.26 |
0 |
|
|
443408 |
135258911 |
1 |
N5H39C62 |
A5B39C62 |
332.37 |
3.08 |
-8.69 |
-1.1 |
0 |
|
|
443409 |
135258914 |
2 |
N2O3C11H11 |
A2B3C11D11 |
-134.54 |
9.72 |
-9.24 |
-0.53 |
0 |
|
|
443411 |
135258918 |
1 |
ClN3O4C12H18 |
AB3C4D12E18 |
-78.07 |
5.75 |
-9.04 |
-1.32 |
0 |
|
|
443412 |
135258920 |
1 |
N4O4C13H18 |
A4B4C13D18 |
-37.93 |
7.34 |
-9.47 |
-1.48 |
0 |
|
|
443413 |
135258921 |
1 |
BrPN3O8C21H27 |
ABC3D8E21F27 |
-346.07 |
4.47 |
-9.23 |
-0.72 |
0 |
|
|
443414 |
135258924 |
1 |
F3N3O5C13H18 |
A3B3C5D13E18 |
-272.42 |
7.62 |
-9.27 |
-1.42 |
0 |
|
|
443415 |
135258925 |
1 |
N3O6C19H29 |
A3B6C19D29 |
-272.98 |
8.04 |
-9.34 |
-0.16 |
0 |
|
|
443416 |
135258941 |
1 |
N3O7C15H23 |
A3B7C15D23 |
-295.42 |
4.14 |
-9.45 |
-0.14 |
0 |
|
|
443417 |
135258942 |
1 |
FN3O7C16H16 |
AB3C7D16E16 |
-285.76 |
3.93 |
-9.46 |
-1.25 |
0 |
|
|
443418 |
135258943 |
2 |
NOC7H10 |
ABC7D10 |
-63.54 |
3.38 |
-8.94 |
-0.62 |
0 |
|
|
443419 |
135258945 |
1 |
N4O5C18H22 |
A4B5C18D22 |
-172.13 |
3.9 |
-9.24 |
-0.08 |
0 |
|
|
443420 |
135258946 |
2 |
N2O3C9H11 |
A2B3C9D11 |
-212.76 |
3.79 |
-9.32 |
-0.12 |
0 |
|
|
443421 |
135258947 |
1 |
N4O7C19H24 |
A4B7C19D24 |
-247.33 |
2.74 |
-9.43 |
-0.19 |
0 |
|
|
443422 |
135258961 |
2 |
N4O5H23C24 |
A4B5C23D24 |
-152.79 |
15.49 |
-9.25 |
-0.86 |
0 |
|
|
443425 |
135258970 |
1 |
O2N6C19H22 |
A2B6C19D22 |
-29.42 |
2.47 |
-8.32 |
-0.79 |
0 |
|
|
443426 |
135258972 |
1 |
FN3O7C19H22 |
AB3C7D19E22 |
-311.44 |
1.52 |
-9.42 |
-0.47 |
0 |
|
|
443427 |
135258977 |
1 |
N3O7C17H27 |
A3B7C17D27 |
-303.62 |
4.35 |
-9.4 |
-0.14 |
0 |
|
|
443428 |
135258980 |
1 |
O2N5C21H21 |
A2B5C21D21 |
-0.24 |
6.27 |
-8.99 |
-1.17 |
0 |
|
|
443429 |
135258981 |
2 |
N2H21C32 |
A2B21C32 |
331.73 |
1.48 |
-8.47 |
-1.12 |
0 |
|
|
443430 |
135258982 |
1 |
SO2N6C20H24 |
AB2C6D20E24 |
-27.06 |
3.56 |
-8.72 |
-1.16 |
0 |
|
|
443431 |
135258983 |
1 |
O2N5C23H31 |
A2B5C23D31 |
-42.27 |
4.41 |
-8.8 |
-0.59 |
0 |
|
|
443432 |
135258984 |
2 |
NOC6H7 |
ABC6D7 |
-75.36 |
0.13 |
-9.15 |
-0.97 |
0 |
|
|
443433 |
135258985 |
1 |
O2N7C17H17 |
A2B7C17D17 |
81.13 |
7.1 |
-8.72 |
-1.23 |
0 |
|
|
443434 |
135258986 |
1 |
SO4N6C20H24 |
AB4C6D20E24 |
-116.61 |
6.25 |
-8.82 |
-1.18 |
0 |
|
|
443435 |
135259012 |
1 |
SF2O2N6H16C18 |
AB2C2D6E16F18 |
-110.93 |
0.68 |
-8.95 |
-1.57 |
0 |
|
|
443436 |
135259013 |
1 |
BrN2O2F3C15H22 |
AB2C2D3E15F22 |
-264.48 |
3.29 |
-9.92 |
-0.47 |
0 |
|
|
443437 |
135259014 |
1 |
F2O2N7H17C18 |
A2B2C7D17E18 |
-103.35 |
5.06 |
-9.18 |
-1.7 |
0 |
|
|
443438 |
135259015 |
1 |
NPS2O6C36H52 |
ABC2D6E36F52 |
-231.83 |
7.93 |
-8.39 |
-0.81 |
0 |
|
|
443439 |
135259016 |
1 |
SO2N5H15C17 |
AB2C5D15E17 |
6.73 |
3.41 |
-8.75 |
-1.36 |
0 |
|
|
443440 |
135259017 |
1 |
SO2N5C18H19 |
AB2C5D18E19 |
25.06 |
2.21 |
-8.99 |
-1.25 |
0 |
|
|
443442 |
135259044 |
1 |
S2N5C10H11 |
A2B5C10D11 |
129.04 |
6.16 |
-7.38 |
-2.09 |
0 |
|
|
443447 |
135259049 |
1 |
ON2C12H22 |
AB2C12D22 |
-68.48 |
3.97 |
-8.59 |
1.06 |
0 |
|
|
443448 |
135259068 |
1 |
F3N3O4C13H18 |
A3B3C4D13E18 |
-231.2 |
3.07 |
-9.41 |
-1.66 |
0 |
|
|
443449 |
135259071 |
1 |
SN5C23H29 |
AB5C23D29 |
87.4 |
4.42 |
-8.3 |
-0.7 |
0 |
|
|
443450 |
135259074 |
1 |
SO4N5C21H21 |
AB4C5D21E21 |
-114.34 |
5.33 |
-9.04 |
-1.74 |
0 |
|
|
443451 |
135259075 |
1 |
O2N5H13C14 |
A2B5C13D14 |
25.52 |
5.51 |
-9.29 |
-1.25 |
0 |
|
|
443452 |
135259076 |
1 |
O3N5C19H19 |
A3B5C19D19 |
-47.73 |
4.54 |
-8.89 |
-1.49 |
0 |
|
|
443453 |
135259077 |
1 |
O3N7C20H23 |
A3B7C20D23 |
-50.04 |
2.21 |
-8.74 |
-1.14 |
0 |
|
|
443454 |
135259078 |
1 |
SO3N7C24H27 |
AB3C7D24E27 |
-33.75 |
7.48 |
-8.84 |
-1.5 |
0 |
|
|
443455 |
135259080 |
1 |
O3N6C23H28 |
A3B6C23D28 |
-32.9 |
3.28 |
-8.59 |
-0.98 |
0 |
|
|
443456 |
135259081 |
1 |
SO4N6C24H26 |
AB4C6D24E26 |
-85.88 |
4.82 |
-8.78 |
-1.44 |
0 |
|
|
443457 |
135259095 |
1 |
BrN3O4C12H18 |
AB3C4D12E18 |
-66.84 |
5.68 |
-9.12 |
-1.31 |
0 |
|
|
443458 |
135259100 |
1 |
SO4N6C24H28 |
AB4C6D24E28 |
-100.7 |
3.55 |
-8.94 |
-1.6 |
0 |
|
|
443459 |
135259103 |
1 |
NO2F6C25H27 |
AB2C6D25E27 |
-384.21 |
5.67 |
-9.21 |
-1.13 |
0 |
|
|
443460 |
135259109 |
1 |
SN4O4C20H20 |
AB4C4D20E20 |
-111.49 |
1.04 |
-9.23 |
-1.51 |
0 |
|
|
443461 |
135259110 |
4 |
NC3H5 |
AB3C5 |
48.1 |
3.21 |
-8.78 |
0.17 |
0 |
|
|
443462 |
135259115 |
1 |
N2O2C11H16 |
A2B2C11D16 |
-57.34 |
3.95 |
-8.95 |
-0.63 |
0 |
|
|
443463 |
135259120 |
1 |
SO2N6C25H26 |
AB2C6D25E26 |
1.28 |
3.45 |
-8.6 |
-1.21 |
0 |
|
|
443464 |
135259122 |
1 |
SO5N6C33H40 |
AB5C6D33E40 |
-148.7 |
5.66 |
-8.96 |
-1.68 |
0 |
|
|
443465 |
135259126 |
1 |
SN3C11H17 |
AB3C11D17 |
70.58 |
1.2 |
-8.7 |
-0.08 |
0 |
|
|
443466 |
135259129 |
1 |
SO3N7C22H23 |
AB3C7D22E23 |
-33.02 |
6.21 |
-8.88 |
-1.52 |
0 |
|
|
443467 |
135259131 |
1 |
SF3O4N6C21H23 |
AB3C4D6E21F23 |
-274.77 |
6.21 |
-8.9 |
-1.31 |
0 |
|
|
443468 |
135259132 |
1 |
SO2F3N6C21H23 |
AB2C3D6E21F23 |
-192.39 |
1.66 |
-8.86 |
-1.23 |
0 |
|
|
443469 |
135259133 |
1 |
O4N7C24H27 |
A4B7C24D27 |
-117.56 |
5.23 |
-8.97 |
-1.39 |
0 |
|
|
443470 |
135259134 |
1 |
O4N7C24H27 |
A4B7C24D27 |
-117.4 |
6.05 |
-9.01 |
-1.38 |
0 |
|
|
443471 |
135259135 |
1 |
SO3N7C24H29 |
AB3C7D24E29 |
-61.33 |
3.53 |
-8.79 |
-1.51 |
0 |
|
|
443472 |
135259136 |
2 |
FON3C10H11 |
ABC3D10E11 |
-106.45 |
2.96 |
-8.76 |
-1.03 |
0 |
|
|
443473 |
135259137 |
1 |
ClO2N5H20C21 |
AB2C5D20E21 |
-30.66 |
4.36 |
-8.85 |
-1.45 |
0 |
|
|
443474 |
135259140 |
1 |
FSO4N7C25H30 |
ABC4D7E25F30 |
-156.47 |
4.06 |
-8.94 |
-1.65 |
0 |
|
|
443475 |
135259160 |
1 |
ClON5H14C18 |
ABC5D14E18 |
99.47 |
4.22 |
-8.75 |
-1.49 |
0 |
|
|
443476 |
135259161 |
1 |
SO3N5H19C20 |
AB3C5D19E20 |
-43.9 |
2.68 |
-8.97 |
-1.74 |
0 |