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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
378529 |
134224616 |
1 |
FNO3C17H24 |
ABC3D17E24 |
-197.35 |
0.92 |
-9.21 |
-0.07 |
0 |
|
|
378530 |
134224618 |
1 |
N2O5C38H42 |
A2B5C38D42 |
-71.19 |
2.64 |
-8.76 |
0.19 |
0 |
|
|
378531 |
134224619 |
1 |
O3C10H10 |
A3B10C10 |
-88.89 |
1.33 |
-8.76 |
-0.12 |
0 |
|
|
378532 |
134224621 |
1 |
NH43C60 |
AB43C60 |
242.26 |
0.45 |
-7.8 |
-0.93 |
0 |
|
|
378533 |
134224622 |
1 |
NH47C69 |
AB47C69 |
279.65 |
1.45 |
-7.97 |
-0.85 |
0 |
|
|
378534 |
134224623 |
1 |
NH53C72 |
AB53C72 |
288.43 |
2.15 |
-7.97 |
-0.52 |
0 |
|
|
378535 |
134224624 |
1 |
SN3H33C43 |
AB3C33D43 |
171.12 |
6.37 |
-7.96 |
-1.22 |
0 |
|
|
378536 |
134224625 |
1 |
SN3H27C48 |
AB3C27D48 |
242.44 |
1.87 |
-8.06 |
-1.36 |
0 |
|
|
378537 |
134224626 |
1 |
SN3H29C48 |
AB3C29D48 |
225.6 |
2.05 |
-8.07 |
-1.05 |
0 |
|
|
378538 |
134224627 |
1 |
SN3H23C40 |
AB3C23D40 |
212.9 |
2.29 |
-8.06 |
-1.33 |
0 |
|
|
378539 |
134224628 |
1 |
S2N3H23C42 |
A2B3C23D42 |
225.69 |
2.08 |
-8.06 |
-1.51 |
0 |
|
|
378540 |
134224629 |
1 |
BrNH18C24 |
ABC18D24 |
105.02 |
2.25 |
-7.94 |
-0.48 |
0 |
|
|
378541 |
134224630 |
1 |
BrNSH24C33 |
ABCD24E33 |
177.2 |
4.61 |
-7.76 |
-1.27 |
0 |
|
|
378542 |
134224631 |
2 |
NO4C12H14 |
AB4C12D14 |
-262.56 |
2.83 |
-8.92 |
-0.6 |
0 |
|
|
378543 |
134224632 |
1 |
ON2H26C44 |
AB2C26D44 |
164.23 |
2.45 |
-8.03 |
-0.77 |
0 |
|
|
378544 |
134224633 |
1 |
OSN2C14H20 |
ABC2D14E20 |
16.46 |
7.7 |
-8.27 |
-0.31 |
0 |
|
|
378545 |
134224634 |
2 |
NH13C16 |
AB13C16 |
104.1 |
2.09 |
-7.76 |
-0.76 |
0 |
|
|
378546 |
134224635 |
1 |
N3H31C46 |
A3B31C46 |
208.32 |
1.46 |
-7.81 |
-0.82 |
0 |
|
|
378547 |
134224636 |
1 |
ON4H22C37 |
AB4C22D37 |
173.99 |
1.55 |
-8.41 |
-1.19 |
0 |
|
|
378548 |
134224637 |
1 |
N3H29C46 |
A3B29C46 |
211.09 |
1.44 |
-7.77 |
-0.87 |
0 |
|
|
378549 |
134224638 |
1 |
NSH15C26 |
ABC15D26 |
113.63 |
1.58 |
-8.08 |
-0.95 |
0 |
|
|
378550 |
134224639 |
1 |
SN2H24C40 |
AB2C24D40 |
177.69 |
2.91 |
-8.1 |
-0.81 |
0 |
|
|
378551 |
134224640 |
1 |
NSH15C26 |
ABC15D26 |
112.18 |
1.33 |
-8.05 |
-0.91 |
0 |
|
|
378552 |
134224641 |
1 |
SN3H31C54 |
AB3C31D54 |
265.25 |
1.99 |
-8.04 |
-1.41 |
0 |
|
|
378553 |
134224643 |
1 |
NO2H43C64 |
AB2C43D64 |
200.54 |
1.49 |
-8.04 |
-0.7 |
0 |
|
|
378554 |
134224644 |
1 |
NC25H37 |
AB25C37 |
-23.36 |
2.25 |
-8.64 |
-0.38 |
0 |
|
|
378555 |
134224645 |
1 |
OSN3H23C42 |
ABC3D23E42 |
191.06 |
2.62 |
-8.36 |
-1.44 |
0 |
|
|
378556 |
134224647 |
1 |
FN3H28C43 |
AB3C28D43 |
146.75 |
2.2 |
-8.19 |
-1.28 |
0 |
|
|
378557 |
134224648 |
1 |
S2N4H28C53 |
A2B4C28D53 |
284.9 |
7.35 |
-8.42 |
-1.5 |
0 |
|
|
378558 |
134224649 |
1 |
O2N3H17C19 |
A2B3C17D19 |
56.87 |
5.49 |
-7.89 |
-1.1 |
0 |
|
|
378559 |
134224650 |
1 |
NO3C29H41 |
AB3C29D41 |
-152.17 |
5.14 |
-8.71 |
-0.38 |
0 |
|
|
378560 |
134224651 |
1 |
NO5C28H41 |
AB5C28D41 |
-221.26 |
3.64 |
-8.49 |
0.39 |
0 |
|
|
378561 |
134224652 |
2 |
FC6H7 |
AB6C7 |
-82.32 |
0.91 |
-9.61 |
-0.3 |
0 |
|
|
378562 |
134224653 |
1 |
NSF3O6C20H20 |
ABC3D6E20F20 |
-370.69 |
3.82 |
-9.42 |
-1.78 |
0 |
|
|
378563 |
134224654 |
1 |
NC16H29 |
AB16C29 |
-32.35 |
2.66 |
-8.48 |
1.38 |
0 |
|
|
378564 |
134224655 |
1 |
NSO3C26H37 |
ABC3D26E37 |
-84.64 |
4.95 |
-6.69 |
-0.26 |
0 |
|
|
378565 |
134224656 |
1 |
NSC10H13 |
ABC10D13 |
25.44 |
3.38 |
-8.25 |
0.12 |
0 |
|
|
378566 |
134224657 |
1 |
FO2N5H14C23 |
AB2C5D14E23 |
70.63 |
4.69 |
-8.44 |
-1.95 |
0 |
|
|
378567 |
134224658 |
1 |
O2N5C29H35 |
A2B5C29D35 |
25.4 |
6.34 |
-8.57 |
-0.65 |
0 |
|
|
378568 |
134224659 |
1 |
BrClN3H7C10 |
ABC3D7E10 |
56.54 |
2.17 |
-8.98 |
-1.04 |
0 |
|
|
378569 |
134224660 |
1 |
NOSC10H23 |
ABCD10E23 |
-74.44 |
1.03 |
-8.59 |
-0.17 |
0 |
|
|
378570 |
134224661 |
1 |
ON2C25H30 |
AB2C25D30 |
7.08 |
2.03 |
-8.46 |
-0.48 |
0 |
|
|
378571 |
134224662 |
1 |
FSN2C15H17 |
ABC2D15E17 |
18.25 |
2.56 |
-9.44 |
-1.35 |
0 |
|
|
378572 |
134224663 |
1 |
SH34C51 |
AB34C51 |
212.92 |
1.46 |
-8.43 |
-0.78 |
0 |
|
|
378573 |
134224664 |
1 |
NH33C48 |
AB33C48 |
216.21 |
0.85 |
-8.05 |
-0.71 |
0 |
|
|
378574 |
134224665 |
1 |
NS2H37C52 |
AB2C37D52 |
193.38 |
1.11 |
-7.88 |
-0.73 |
0 |
|
|
378575 |
134224666 |
1 |
NH51C70 |
AB51C70 |
271.09 |
2.33 |
-8.02 |
-0.32 |
0 |
|
|
378576 |
134224667 |
1 |
SN4H22C37 |
AB4C22D37 |
210.19 |
0.95 |
-8.28 |
-1.2 |
0 |
|
|
378577 |
134224668 |
1 |
ON3H25C42 |
AB3C25D42 |
182.63 |
2.21 |
-8.29 |
-1.06 |
0 |
|
|
378578 |
134224669 |
1 |
OSN3H33C55 |
ABC3D33E55 |
240.41 |
3.93 |
-8.05 |
-1.53 |
0 |
|
|
378579 |
134224670 |
1 |
OS2N3H25C48 |
AB2C3D25E48 |
225.78 |
3.22 |
-8.04 |
-1.62 |
0 |
|
|
378580 |
134224671 |
1 |
SN3H33C56 |
AB3C33D56 |
271.76 |
1.62 |
-7.98 |
-1.17 |
0 |
|
|
378581 |
134224672 |
1 |
S2N3H25C43 |
A2B3C25D43 |
215.3 |
1.41 |
-8.04 |
-1.45 |
0 |
|
|
378582 |
134224673 |
1 |
SN3H21C36 |
AB3C21D36 |
196.62 |
2.52 |
-8.15 |
-1.32 |
0 |
|
|
378583 |
134224674 |
1 |
S2N3H29C52 |
A2B3C29D52 |
264.97 |
1.19 |
-8.14 |
-1.48 |
0 |
|
|
378584 |
134224675 |
1 |
OSN3H31C51 |
ABC3D31E51 |
213.72 |
3.09 |
-8.06 |
-1.48 |
0 |
|
|
378585 |
134224676 |
2 |
OC9H17 |
AB9C17 |
-143.68 |
2.71 |
-9.43 |
2.29 |
0 |
|
|
378586 |
134224677 |
1 |
NSO2H13C22 |
ABC2D13E22 |
89.06 |
5.21 |
-8.62 |
-1.34 |
0 |
|
|
378587 |
134224678 |
1 |
NSO2H15C26 |
ABC2D15E26 |
106.13 |
4.84 |
-8.53 |
-1.36 |
0 |
|
|
378588 |
134224679 |
1 |
NOH13C22 |
ABC13D22 |
68.13 |
1.81 |
-8.27 |
-0.91 |
0 |
|
|
378589 |
134224680 |
1 |
NOH17C30 |
ABC17D30 |
97.62 |
2.23 |
-8.16 |
-1.06 |
0 |
|
|
378590 |
134224681 |
1 |
NOH15C26 |
ABC15D26 |
86.32 |
2.13 |
-8.14 |
-0.99 |
0 |
|
|
378591 |
134224682 |
1 |
NOH15C26 |
ABC15D26 |
82.79 |
1.62 |
-8.23 |
-1.04 |
0 |
|
|
378592 |
134224683 |
1 |
FNOC9H16 |
ABCD9E16 |
-80.87 |
4.42 |
-9.06 |
0.21 |
0 |
|
|
378593 |
134224685 |
1 |
N3O3H29C45 |
A3B3C29D45 |
106.44 |
2.55 |
-8.02 |
-1.3 |
0 |
|
|
378594 |
134224686 |
1 |
ClFNO4C16H23 |
ABCD4E16F23 |
-245.45 |
4.2 |
-9.39 |
-0.59 |
0 |
|
|
378595 |
134224687 |
1 |
O2N3H9C11 |
A2B3C9D11 |
20.16 |
5.43 |
-7.97 |
-1.17 |
0 |
|
|
378596 |
134224688 |
1 |
N2O4C25H32 |
A2B4C25D32 |
-118.3 |
4.32 |
-8.32 |
-0.29 |
0 |
|
|
378597 |
134224689 |
1 |
FNOC14H20 |
ABCD14E20 |
-53.13 |
2.53 |
-8.79 |
-0.04 |
0 |
|
|
378598 |
134224690 |
1 |
F2N3O5C37H43 |
A2B3C5D37E43 |
-249.11 |
5.44 |
-8.55 |
-0.39 |
0 |
|
|
378599 |
134224691 |
1 |
ClINOC10H11 |
ABCDE10F11 |
-16.62 |
4.65 |
-8.72 |
-1.39 |
0 |
|
|
378600 |
134224692 |
1 |
N3O9C37H43 |
A3B9C37D43 |
-282.75 |
6.58 |
-8.65 |
-0.36 |
0 |
|
|
378601 |
134224693 |
1 |
ON4F5C24H31 |
AB4C5D24E31 |
-264.9 |
6.28 |
-8.91 |
-1.02 |
0 |
|
|
378602 |
134224694 |
1 |
OSN3C9H13 |
ABC3D9E13 |
-9.56 |
4.85 |
-8.38 |
0.27 |
0 |
|
|
378603 |
134224695 |
1 |
ClFO3N4C20H20 |
ABC3D4E20F20 |
-98.81 |
6.12 |
-9.25 |
-0.88 |
0 |
|
|
378604 |
134224696 |
1 |
FSO2N4C11H19 |
ABC2D4E11F19 |
-40.58 |
1.49 |
-8.46 |
-0.14 |
0 |
|
|
378605 |
134224697 |
1 |
ON4F8C22H24 |
AB4C8D22E24 |
-406.64 |
6.02 |
-9.3 |
-1.09 |
0 |
|
|
378606 |
134224698 |
1 |
OF4N5H17C20 |
AB4C5D17E20 |
-122.66 |
1.04 |
-9.86 |
-1.72 |
0 |
|
|
378607 |
134224699 |
2 |
N2C4H5 |
A2B4C5 |
81.57 |
3.29 |
-9.72 |
0.14 |
0 |
|
|
378608 |
134224700 |
1 |
N3C12H19 |
A3B12C19 |
38.67 |
1.64 |
-8.94 |
0.83 |
0 |
|
|
378609 |
134224701 |
2 |
N3C14H24 |
A3B14C24 |
2.43 |
3.72 |
-8.38 |
0.75 |
0 |
|
|
378610 |
134224702 |
1 |
OSN3C10H15 |
ABC3D10E15 |
-17.73 |
2.6 |
-8.73 |
0.26 |
0 |
|
|
378611 |
134224703 |
1 |
SO3C19H38 |
AB3C19D38 |
-180.61 |
4.85 |
-10.19 |
0.55 |
0 |
|
|
378612 |
134224704 |
1 |
ON3C13H21 |
AB3C13D21 |
-36.63 |
5.1 |
-9.29 |
0.68 |
0 |
|
|
378613 |
134224705 |
1 |
FN5C25H32 |
AB5C25D32 |
87.59 |
1.13 |
-8.23 |
-0.21 |
0 |
|
|
378614 |
134224706 |
1 |
O2F3N6C24H33 |
A2B3C6D24E33 |
-164.66 |
4.74 |
-9.05 |
0.05 |
0 |
|
|
378615 |
134224707 |
2 |
OSN2C9H13 |
ABC2D9E13 |
-44.56 |
3.78 |
-8.74 |
0.07 |
0 |
|
|
378616 |
134224708 |
1 |
S2N3H9C10 |
A2B3C9D10 |
116.7 |
7.02 |
-8.94 |
-0.84 |
0 |
|
|
378617 |
134224709 |
1 |
OSN4C22H34 |
ABC4D22E34 |
-22.96 |
5.37 |
-8.43 |
0.7 |
0 |
|
|
378618 |
134224710 |
1 |
F2N5C20H21 |
A2B5C20D21 |
2.54 |
9.85 |
-8.88 |
-0.79 |
0 |
|
|
378619 |
134224712 |
1 |
SO3N4C18H26 |
AB3C4D18E26 |
-79.19 |
2.33 |
-9.12 |
-0.09 |
0 |
|
|
378620 |
134224713 |
1 |
SO3N5C21H33 |
AB3C5D21E33 |
-72.64 |
6.68 |
-9.05 |
0.22 |
0 |
|
|
378621 |
134224714 |
4 |
NC5H6 |
AB5C6 |
74.93 |
2.64 |
-8.84 |
-0.47 |
0 |
|
|
378622 |
134224715 |
1 |
ON3C12H19 |
AB3C12D19 |
-30.06 |
5.29 |
-9.06 |
0.64 |
0 |
|
|
378623 |
134224716 |
1 |
SO2N3C13H23 |
AB2C3D13E23 |
-79.42 |
3.45 |
-9.07 |
0.38 |
0 |
|
|
378624 |
134224717 |
1 |
OSF3N3C10H12 |
ABC3D3E10F12 |
-170.72 |
4.6 |
-8.62 |
0.21 |
0 |
|
|
378625 |
134224718 |
1 |
OS2F3N3C11H14 |
AB2C3D3E11F14 |
-140.76 |
3.87 |
-8.02 |
-0.26 |
0 |
|
|
378626 |
134224719 |
2 |
N2C10H13 |
A2B10C13 |
77.46 |
4.16 |
-8.6 |
-0.16 |
0 |
|
|
378627 |
134224720 |
1 |
OSN2H34C55 |
ABC2D34E55 |
226.67 |
4.28 |
-8.18 |
-0.85 |
0 |
|
|
378628 |
134224721 |
1 |
OH40C53 |
AB40C53 |
144.04 |
1.14 |
-8.68 |
-0.55 |
0 |