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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
422317 |
135117628 |
1 |
SO2N4C19H24 |
AB2C4D19E24 |
-37.81 |
7.19 |
-8.62 |
-0.3 |
0 |
|
|
422318 |
135117630 |
1 |
ClNO2C18H24 |
ABC2D18E24 |
-96.98 |
2.37 |
-9.32 |
-0.14 |
0 |
|
|
422319 |
135117632 |
1 |
FSO2N4C19H23 |
ABC2D4E19F23 |
-60.73 |
4.32 |
-8.55 |
-0.38 |
0 |
|
|
422320 |
135117633 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-28.21 |
5.6 |
-9.04 |
-0.46 |
0 |
|
|
422321 |
135117637 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-35.99 |
4.46 |
-8.55 |
-0.59 |
0 |
|
|
422322 |
135117638 |
1 |
FN2S2O5C14H21 |
AB2C2D5E14F21 |
-235.25 |
8.64 |
-9.5 |
-0.05 |
0 |
|
|
422323 |
135117640 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-109.89 |
4.3 |
-9.35 |
-0.75 |
0 |
|
|
422324 |
135117641 |
1 |
SN2O3C19H26 |
AB2C3D19E26 |
-106.44 |
5.72 |
-9.03 |
-0.79 |
0 |
|
|
422325 |
135117644 |
1 |
ON6C15H20 |
AB6C15D20 |
39.82 |
4.78 |
-9.22 |
-0.52 |
0 |
|
|
422326 |
135117645 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-76.86 |
7.0 |
-8.96 |
-0.19 |
0 |
|
|
422327 |
135117646 |
1 |
N3O3F4H17C18 |
A3B3C4D17E18 |
-265.19 |
2.83 |
-9.59 |
-0.84 |
0 |
|
|
422328 |
135117647 |
1 |
O2N5C15H21 |
A2B5C15D21 |
-6.45 |
8.88 |
-9.13 |
-0.9 |
0 |
|
|
422329 |
135117648 |
1 |
ClNO3C22H24 |
ABC3D22E24 |
-114.06 |
4.61 |
-9.03 |
-0.26 |
0 |
|
|
422330 |
135117649 |
2 |
N2O2C8H9 |
A2B2C8D9 |
-30.42 |
4.55 |
-9.52 |
-0.9 |
0 |
|
|
422332 |
135117651 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-171.6 |
3.27 |
-9.62 |
-0.15 |
0 |
|
|
422333 |
135117654 |
1 |
N2O2C21H32 |
A2B2C21D32 |
-106.78 |
4.31 |
-9.04 |
0.3 |
0 |
|
|
422334 |
135117655 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-60.13 |
10.11 |
-9.58 |
-0.27 |
0 |
|
|
422335 |
135117657 |
2 |
ON2C10H12 |
AB2C10D12 |
-33.73 |
3.85 |
-8.91 |
-0.43 |
0 |
|
|
422336 |
135117661 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-74.32 |
6.3 |
-8.85 |
-1.27 |
0 |
|
|
422337 |
135117662 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-59.18 |
5.75 |
-9.25 |
-0.63 |
0 |
|
|
422338 |
135117663 |
1 |
SN2O2C18H22 |
AB2C2D18E22 |
-52.98 |
3.2 |
-9.13 |
-0.72 |
0 |
|
|
422339 |
135117664 |
1 |
N7O8C35H49 |
A7B8C35D49 |
-307.87 |
7.48 |
-9.55 |
-1.1 |
0 |
|
|
422340 |
135117666 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-53.05 |
3.25 |
-8.74 |
-1.19 |
0 |
|
|
422341 |
135117667 |
1 |
SN2O5C16H18 |
AB2C5D16E18 |
-173.9 |
11.57 |
-9.7 |
-1.57 |
0 |
|
|
422342 |
135117668 |
2 |
ON3C11H12 |
AB3C11D12 |
49.79 |
5.46 |
-9.26 |
-0.9 |
0 |
|
|
422343 |
135117669 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-40.94 |
4.43 |
-9.17 |
-0.67 |
0 |
|
|
422344 |
135117670 |
1 |
O3N4C13H18 |
A3B4C13D18 |
-108.77 |
5.05 |
-9.78 |
-0.05 |
0 |
|
|
422345 |
135117671 |
1 |
ClON4C15H25 |
ABC4D15E25 |
-31.28 |
2.72 |
-8.64 |
0.3 |
0 |
|
|
422346 |
135117672 |
1 |
ON6C18H26 |
AB6C18D26 |
40.21 |
3.7 |
-8.43 |
-0.34 |
0 |
|
|
422347 |
135117674 |
1 |
O2F3N3C19H20 |
A2B3C3D19E20 |
-185.55 |
5.77 |
-8.99 |
-0.67 |
0 |
|
|
422348 |
135117675 |
1 |
ON3C21H29 |
AB3C21D29 |
-11.05 |
1.96 |
-8.83 |
-0.49 |
0 |
|
|
422349 |
135117676 |
1 |
NS2O5C16H25 |
AB2C5D16E25 |
-227.75 |
4.83 |
-9.4 |
-0.37 |
0 |
|
|
422350 |
135117678 |
1 |
NO4C20H29 |
AB4C20D29 |
-168.43 |
5.71 |
-8.31 |
0.15 |
0 |
|
|
422351 |
135117679 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-189.75 |
6.88 |
-9.09 |
-0.14 |
0 |
|
|
422352 |
135117680 |
1 |
SN3C14H19 |
AB3C14D19 |
60.77 |
3.04 |
-8.34 |
0.1 |
0 |
|
|
422353 |
135117682 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-68.3 |
5.16 |
-9.22 |
-0.61 |
0 |
|
|
422354 |
135117683 |
1 |
ClNO4C17H24 |
ABC4D17E24 |
-172.32 |
8.74 |
-9.2 |
-0.49 |
0 |
|
|
422355 |
135117684 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-113.91 |
2.7 |
-9.22 |
-0.7 |
0 |
|
|
422356 |
135117685 |
1 |
SO6N12C36H48 |
AB6C12D36E48 |
-136.94 |
7.35 |
-8.55 |
-1.48 |
0 |
|
|
422357 |
135117687 |
1 |
FN5O5C31H38 |
AB5C5D31E38 |
-195.22 |
2.43 |
-8.9 |
-0.64 |
0 |
|
|
422358 |
135117690 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-0.18 |
2.94 |
-8.37 |
-0.98 |
0 |
|
|
422359 |
135117692 |
2 |
ON3C8H10 |
AB3C8D10 |
-21.96 |
9.34 |
-8.89 |
-0.39 |
0 |
|
|
422360 |
135117693 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-50.97 |
4.03 |
-9.06 |
0.11 |
0 |
|
|
422361 |
135117694 |
1 |
ClN2O3C16H21 |
AB2C3D16E21 |
-108.71 |
7.39 |
-8.94 |
-0.27 |
0 |
|
|
422363 |
135117696 |
1 |
O7N8C34H46 |
A7B8C34D46 |
-261.24 |
10.74 |
-9.62 |
-1.49 |
0 |
|
|
422364 |
135117697 |
1 |
N2O4C15H24 |
A2B4C15D24 |
-132.11 |
4.65 |
-9.52 |
0.16 |
0 |
|
|
422365 |
135117698 |
1 |
O4N5C23H29 |
A4B5C23D29 |
-98.86 |
3.88 |
-9.54 |
-0.79 |
0 |
|
|
422366 |
135117699 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-76.12 |
7.85 |
-8.7 |
-0.53 |
0 |
|
|
422367 |
135117700 |
1 |
O6N7C34H41 |
A6B7C34D41 |
-189.72 |
5.19 |
-9.43 |
-1.07 |
0 |
|
|
422368 |
135117701 |
1 |
FN4O4C20H25 |
AB4C4D20E25 |
-130.85 |
9.14 |
-8.7 |
-0.77 |
0 |
|
|
422369 |
135117702 |
1 |
O2N5C13H21 |
A2B5C13D21 |
-23.99 |
5.23 |
-9.66 |
-0.56 |
0 |
|
|
422370 |
135117704 |
1 |
SO2N4C15H16 |
AB2C4D15E16 |
0.44 |
3.17 |
-8.88 |
-1.1 |
0 |
|
|
422371 |
135117705 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-66.73 |
2.29 |
-9.3 |
-0.46 |
0 |
|
|
422372 |
135117707 |
1 |
O2N3C25H31 |
A2B3C25D31 |
-31.98 |
3.68 |
-9.14 |
0.04 |
0 |
|
|
422373 |
135117708 |
1 |
O2N5C13H21 |
A2B5C13D21 |
-31.95 |
2.65 |
-8.95 |
-0.38 |
0 |
|
|
422374 |
135117709 |
1 |
SO3N4C17H24 |
AB3C4D17E24 |
-100.94 |
3.67 |
-8.6 |
-0.09 |
0 |
|
|
422375 |
135117710 |
1 |
ON2C19H26 |
AB2C19D26 |
-18.91 |
4.46 |
-9.23 |
-0.67 |
0 |
|
|
422376 |
135117711 |
1 |
O4N6C19H24 |
A4B6C19D24 |
-72.43 |
6.02 |
-9.48 |
-0.79 |
0 |
|
|
422377 |
135117712 |
1 |
N5C18H25 |
A5B18C25 |
65.39 |
8.6 |
-8.0 |
0.13 |
0 |
|
|
422378 |
135117715 |
1 |
ON4C19H24 |
AB4C19D24 |
-8.04 |
1.84 |
-8.33 |
0.0 |
0 |
|
|
422379 |
135117718 |
1 |
O2N5C14H17 |
A2B5C14D17 |
-24.49 |
7.98 |
-9.9 |
-0.47 |
0 |
|
|
422380 |
135117719 |
1 |
NSO6C15H21 |
ABC6D15E21 |
-253.12 |
4.7 |
-9.11 |
-0.68 |
0 |
|
|
422381 |
135117720 |
1 |
SN2O5C18H28 |
AB2C5D18E28 |
-194.37 |
7.84 |
-9.14 |
-0.08 |
0 |
|
|
422382 |
135117724 |
1 |
SN3O4C17H27 |
AB3C4D17E27 |
-146.59 |
5.84 |
-9.1 |
0.25 |
0 |
|
|
422383 |
135117726 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-51.58 |
7.05 |
-8.74 |
0.06 |
0 |
|
|
422384 |
135117733 |
1 |
ON3C23H33 |
AB3C23D33 |
-25.81 |
5.72 |
-8.36 |
-0.86 |
0 |
|
|
422385 |
135117734 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-140.34 |
4.43 |
-8.96 |
0.07 |
0 |
|
|
422386 |
135117737 |
1 |
FO2N4C13H17 |
AB2C4D13E17 |
-49.2 |
3.65 |
-8.96 |
-0.27 |
0 |
|
|
422387 |
135117739 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-48.73 |
5.35 |
-9.48 |
0.09 |
0 |
|
|
422388 |
135117744 |
1 |
N4O4C29H38 |
A4B4C29D38 |
-156.65 |
7.89 |
-9.43 |
0.06 |
0 |
|
|
422389 |
135117747 |
1 |
ON5C20H27 |
AB5C20D27 |
12.95 |
0.75 |
-8.28 |
-0.14 |
0 |
|
|
422390 |
135117748 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-64.71 |
4.4 |
-8.39 |
0.01 |
0 |
|
|
422391 |
135117749 |
1 |
SN3O5C16H23 |
AB3C5D16E23 |
-200.05 |
4.3 |
-9.14 |
-0.87 |
0 |
|
|
422392 |
135117751 |
1 |
SN3O5C14H21 |
AB3C5D14E21 |
-192.48 |
10.82 |
-9.56 |
-1.2 |
0 |
|
|
422393 |
135117754 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-8.02 |
5.88 |
-8.89 |
-0.26 |
0 |
|
|
422394 |
135117755 |
1 |
SN2O2C17H26 |
AB2C2D17E26 |
-78.85 |
2.43 |
-8.92 |
-0.19 |
0 |
|
|
422395 |
135117756 |
1 |
SO4N6C32H38 |
AB4C6D32E38 |
-96.27 |
3.75 |
-8.43 |
-1.04 |
0 |
|
|
422396 |
135117757 |
1 |
O4N8C35H48 |
A4B8C35D48 |
-115.58 |
5.56 |
-9.31 |
-0.65 |
0 |
|
|
422397 |
135117760 |
1 |
N4O5C20H30 |
A4B5C20D30 |
-213.95 |
2.34 |
-9.37 |
-0.33 |
0 |
|
|
422398 |
135117764 |
1 |
SO4N5C20H23 |
AB4C5D20E23 |
-27.6 |
5.57 |
-9.35 |
-1.34 |
0 |
|
|
422399 |
135117766 |
1 |
FO2N3C19H22 |
AB2C3D19E22 |
-89.48 |
1.71 |
-9.08 |
-0.55 |
0 |
|
|
422400 |
135117774 |
1 |
O2N3C22H25 |
A2B3C22D25 |
-16.97 |
2.59 |
-8.63 |
-0.28 |
0 |
|
|
422401 |
135117775 |
1 |
NO2C22H29 |
AB2C22D29 |
-86.35 |
1.23 |
-8.5 |
-0.25 |
0 |
|
|
422402 |
135117776 |
1 |
FO2N3C19H24 |
AB2C3D19E24 |
-99.86 |
7.9 |
-8.6 |
-0.27 |
0 |
|
|
422404 |
135117778 |
2 |
NOC8H12 |
ABC8D12 |
-87.23 |
4.96 |
-9.29 |
-0.19 |
0 |
|
|
422405 |
135117779 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-63.43 |
4.12 |
-9.5 |
-0.65 |
0 |
|
|
422406 |
135117781 |
4 |
NOC5H5 |
ABC5D5 |
-107.87 |
2.34 |
-9.52 |
-0.96 |
0 |
|
|
422407 |
135117782 |
1 |
SN4O4C18H28 |
AB4C4D18E28 |
-166.28 |
4.27 |
-8.92 |
-0.1 |
0 |
|
|
422408 |
135117787 |
1 |
FN4C16H19 |
AB4C16D19 |
24.9 |
3.13 |
-8.72 |
-0.26 |
0 |
|
|
422409 |
135117788 |
1 |
ON2C22H34 |
AB2C22D34 |
-43.19 |
2.45 |
-8.3 |
0.48 |
0 |
|
|
422410 |
135117789 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-101.36 |
3.52 |
-9.44 |
-0.42 |
0 |
|
|
422411 |
135117790 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-92.36 |
6.21 |
-8.94 |
0.07 |
0 |
|
|
422412 |
135117792 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-93.49 |
3.46 |
-9.4 |
-0.36 |
0 |
|
|
422413 |
135117794 |
2 |
NO2C10H15 |
AB2C10D15 |
-160.84 |
5.24 |
-8.34 |
0.19 |
0 |
|
|
422414 |
135117795 |
1 |
ClO7N8C34H43 |
AB7C8D34E43 |
-212.19 |
5.44 |
-9.52 |
-1.23 |
0 |
|
|
422415 |
135117797 |
1 |
ClNO2C18H24 |
ABC2D18E24 |
-94.5 |
4.2 |
-8.96 |
-0.12 |
0 |
|
|
422416 |
135117799 |
1 |
ClON3C13H20 |
ABC3D13E20 |
-30.53 |
4.83 |
-8.63 |
-0.18 |
0 |
|
|
422417 |
135117800 |
1 |
ON4C15H18 |
AB4C15D18 |
16.6 |
3.48 |
-9.31 |
-0.3 |
0 |
|
|
422418 |
135117803 |
1 |
NSO6C17H23 |
ABC6D17E23 |
-219.56 |
11.61 |
-9.62 |
-1.04 |
0 |
|
|
422419 |
135117805 |
1 |
SO2N3C22H23 |
AB2C3D22E23 |
4.77 |
6.41 |
-9.17 |
-0.27 |
0 |