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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
65551 |
46386614 |
1 |
BrN3O3H18C24 |
AB3C3D18E24 |
4.3 |
2.32 |
-8.98 |
-1.25 |
0 |
|
|
65552 |
46386615 |
1 |
ClN3O3H18C24 |
AB3C3D18E24 |
-8.26 |
6.05 |
-8.86 |
-1.31 |
0 |
|
|
65553 |
46386616 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-14.36 |
2.24 |
-8.48 |
-1.07 |
0 |
|
|
65554 |
46386617 |
1 |
ClN3O4H20C25 |
AB3C4D20E25 |
-44.01 |
6.67 |
-8.4 |
-1.2 |
0 |
|
|
65555 |
46386618 |
1 |
ClN3O4H20C25 |
AB3C4D20E25 |
-41.25 |
1.96 |
-9.19 |
-1.17 |
0 |
|
|
65556 |
46386619 |
1 |
N3O5H23C26 |
A3B5C23D26 |
-78.37 |
4.81 |
-8.16 |
-1.08 |
0 |
|
|
65557 |
46386620 |
1 |
BrN3O3H20C25 |
AB3C3D20E25 |
0.18 |
2.77 |
-9.19 |
-1.14 |
0 |
|
|
65558 |
46386621 |
1 |
N3O3H25C27 |
A3B3C25D27 |
-15.88 |
4.09 |
-9.11 |
-1.04 |
0 |
|
|
65559 |
46386622 |
1 |
SN3O3H23C26 |
AB3C3D23E26 |
-0.79 |
5.71 |
-8.72 |
-1.11 |
0 |
|
|
65560 |
46386623 |
1 |
ClN3O3H22C26 |
AB3C3D22E26 |
-16.57 |
6.02 |
-9.21 |
-1.2 |
0 |
|
|
65561 |
46386624 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-4.97 |
5.24 |
-9.18 |
-0.99 |
0 |
|
|
65562 |
46386625 |
1 |
FN3O3H20C25 |
AB3C3D20E25 |
-48.39 |
5.06 |
-9.33 |
-1.12 |
0 |
|
|
65563 |
46386626 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-10.71 |
3.86 |
-9.1 |
-1.14 |
0 |
|
|
65564 |
46386627 |
1 |
N3O3H21C25 |
A3B3C21D25 |
-2.73 |
4.16 |
-8.83 |
-1.18 |
0 |
|
|
65565 |
46386628 |
1 |
ClN3O3H20C25 |
AB3C3D20E25 |
-11.35 |
4.31 |
-9.35 |
-1.23 |
0 |
|
|
65566 |
46386629 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-10.6 |
4.72 |
-9.21 |
-1.12 |
0 |
|
|
65567 |
46386630 |
1 |
N3O5H21C26 |
A3B5C21D26 |
-64.55 |
3.42 |
-8.86 |
-1.11 |
0 |
|
|
65568 |
46386631 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-10.32 |
3.84 |
-9.15 |
-1.11 |
0 |
|
|
65569 |
46386632 |
1 |
N3O4H23C26 |
A3B4C23D26 |
-41.81 |
5.57 |
-8.95 |
-1.1 |
0 |
|
|
65570 |
46386633 |
1 |
N3O4H23C26 |
A3B4C23D26 |
-43.73 |
5.78 |
-8.79 |
-1.16 |
0 |
|
|
65571 |
46386634 |
1 |
SF3N4O4H17C22 |
AB3C4D4E17F22 |
-183.52 |
3.6 |
-9.01 |
-1.38 |
0 |
|
|
65572 |
46386635 |
2 |
SN2O2H10C11 |
AB2C2D10E11 |
-22.84 |
1.54 |
-8.54 |
-1.12 |
0 |
|
|
65573 |
46386636 |
1 |
S2N4O4H22C23 |
A2B4C4D22E23 |
-23.44 |
2.27 |
-8.56 |
-1.35 |
0 |
|
|
65574 |
46386637 |
1 |
S2N4O4H20C21 |
A2B4C4D20E21 |
-25.18 |
1.68 |
-8.95 |
-1.2 |
0 |
|
|
65575 |
46386638 |
1 |
SF3N4O4H17C22 |
AB3C4D4E17F22 |
-184.91 |
2.05 |
-8.99 |
-1.31 |
0 |
|
|
65576 |
46386639 |
1 |
SF3N4O4H17C22 |
AB3C4D4E17F22 |
-184.05 |
4.34 |
-8.95 |
-1.33 |
0 |
|
|
65577 |
46386640 |
2 |
SN2O2H10C11 |
AB2C2D10E11 |
-23.99 |
2.68 |
-8.6 |
-1.15 |
0 |
|
|
65578 |
46386641 |
2 |
SN2O2H11C12 |
AB2C2D11E12 |
-21.7 |
2.52 |
-8.54 |
-1.2 |
0 |
|
|
65579 |
46386642 |
1 |
SN4O4H24C25 |
AB4C4D24E25 |
-34.42 |
1.19 |
-8.88 |
-1.18 |
0 |
|
|
65580 |
46386643 |
1 |
SF3N4O4H15C21 |
AB3C4D4E15F21 |
-178.29 |
4.53 |
-9.01 |
-1.41 |
0 |
|
|
65581 |
46386644 |
1 |
SN4O6H20C25 |
AB4C6D20E25 |
-58.34 |
2.95 |
-8.91 |
-1.13 |
0 |
|
|
65582 |
46386645 |
1 |
SN4O7H16C24 |
AB4C7D16E24 |
-80.89 |
1.69 |
-8.92 |
-1.21 |
0 |
|
|
65583 |
46386646 |
1 |
SN4O6H22C26 |
AB4C6D22E26 |
-70.91 |
3.83 |
-8.88 |
-1.23 |
0 |
|
|
65584 |
46386647 |
1 |
S2N4O5H18C24 |
A2B4C5D18E24 |
-17.29 |
2.73 |
-8.56 |
-1.26 |
0 |
|
|
65585 |
46386648 |
1 |
SN4O6H20C25 |
AB4C6D20E25 |
-65.6 |
3.03 |
-8.9 |
-1.07 |
0 |
|
|
65586 |
46386649 |
1 |
OSN4H22C23 |
ABC4D22E23 |
94.7 |
5.82 |
-8.88 |
-0.55 |
0 |
|
|
65587 |
46386651 |
1 |
OSN4C17H20 |
ABC4D17E20 |
34.32 |
5.39 |
-8.57 |
-0.39 |
0 |
|
|
65588 |
46386652 |
1 |
ClOSN4C16H17 |
ABCD4E16F17 |
36.76 |
5.32 |
-8.74 |
-0.89 |
0 |
|
|
65589 |
46386653 |
1 |
OSN4C16H18 |
ABC4D16E18 |
46.27 |
5.73 |
-8.64 |
-0.59 |
0 |
|
|
65590 |
46386654 |
1 |
SO2N4C17H20 |
AB2C4D17E20 |
4.37 |
5.82 |
-8.65 |
-0.46 |
0 |
|
|
65591 |
46386655 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-29.44 |
6.03 |
-8.44 |
-0.53 |
0 |
|
|
65592 |
46386656 |
1 |
OSN4C17H20 |
ABC4D17E20 |
36.21 |
5.58 |
-8.74 |
-0.52 |
0 |
|
|
65593 |
46386657 |
1 |
OF3N7C21H22 |
AB3C7D21E22 |
-37.56 |
3.71 |
-9.03 |
-1.08 |
0 |
|
|
65594 |
46386658 |
1 |
OF3N7C21H22 |
AB3C7D21E22 |
-36.94 |
8.51 |
-9.31 |
-1.32 |
0 |
|
|
65595 |
46386659 |
1 |
O2N7C27H29 |
A2B7C27D29 |
110.58 |
5.59 |
-8.87 |
-0.78 |
0 |
|
|
65596 |
46386660 |
1 |
OF3N7C22H24 |
AB3C7D22E24 |
-43.76 |
9.26 |
-9.18 |
-1.27 |
0 |
|
|
65597 |
46386661 |
1 |
O2N7C28H31 |
A2B7C28D31 |
104.07 |
8.34 |
-8.76 |
-0.85 |
0 |
|
|
65598 |
46386662 |
1 |
ClFO2N4H20C23 |
ABC2D4E20F23 |
-44.56 |
4.83 |
-8.54 |
-0.91 |
0 |
|
|
65599 |
46386663 |
1 |
ClO2N4H23C24 |
AB2C4D23E24 |
-7.49 |
3.77 |
-8.58 |
-0.88 |
0 |
|
|
65600 |
46386664 |
1 |
O3N4H24C25 |
A3B4C24D25 |
-29.64 |
5.37 |
-8.7 |
-1.0 |
0 |
|
|
65601 |
46386665 |
1 |
ClO2N4H21C23 |
AB2C4D21E23 |
1.19 |
5.69 |
-8.53 |
-0.82 |
0 |
|
|
65602 |
46386666 |
1 |
O2N4C25H26 |
A2B4C25D26 |
-2.05 |
5.1 |
-8.21 |
-0.62 |
0 |
|
|
65603 |
46386667 |
1 |
ClO2N4H23C24 |
AB2C4D23E24 |
-7.54 |
6.6 |
-8.36 |
-0.71 |
0 |
|
|
65604 |
46386668 |
1 |
O2N4C25H26 |
A2B4C25D26 |
-6.62 |
5.34 |
-8.19 |
-0.57 |
0 |
|
|
65605 |
46386669 |
1 |
O3N4H24C25 |
A3B4C24D25 |
-29.26 |
7.94 |
-8.51 |
-0.8 |
0 |
|
|
65606 |
46386670 |
1 |
SO2N4C24H24 |
AB2C4D24E24 |
9.49 |
6.3 |
-8.24 |
-0.76 |
0 |
|
|
65607 |
46386671 |
1 |
BrO2N4H23C24 |
AB2C4D23E24 |
4.41 |
4.01 |
-8.58 |
-0.86 |
0 |
|
|
65608 |
46386672 |
2 |
ON2C13H14 |
AB2C13D14 |
-7.37 |
5.08 |
-8.22 |
-0.61 |
0 |
|
|
65609 |
46386673 |
1 |
ClO2N4H23C24 |
AB2C4D23E24 |
-8.46 |
7.57 |
-8.45 |
-0.75 |
0 |
|
|
65610 |
46386674 |
1 |
ClO2N5C19H20 |
AB2C5D19E20 |
8.27 |
6.86 |
-8.93 |
-0.75 |
0 |
|
|
65611 |
46386675 |
1 |
O2N5C21H25 |
A2B5C21D25 |
2.79 |
10.52 |
-8.96 |
-0.81 |
0 |
|
|
65612 |
46386676 |
4 |
NOC5H6 |
ABC5D6 |
-79.96 |
7.27 |
-9.15 |
-0.92 |
0 |
|
|
65613 |
46386677 |
1 |
ClO2N5C25H26 |
AB2C5D25E26 |
2.39 |
7.68 |
-8.54 |
-0.71 |
0 |
|
|
65614 |
46386678 |
1 |
ClON5C27H28 |
ABC5D27E28 |
34.13 |
5.03 |
-8.53 |
-0.74 |
0 |
|
|
65615 |
46386679 |
1 |
OF3N5H24C26 |
AB3C5D24E26 |
-106.67 |
7.58 |
-8.61 |
-0.83 |
0 |
|
|
65616 |
46386680 |
1 |
ON5C27H29 |
AB5C27D29 |
44.1 |
7.21 |
-8.45 |
-0.62 |
0 |
|
|
65617 |
46386681 |
1 |
FON5H24C25 |
ABC5D24E25 |
8.61 |
7.66 |
-8.54 |
-0.71 |
0 |
|
|
65618 |
46386682 |
1 |
ON5C27H29 |
AB5C27D29 |
43.63 |
4.87 |
-8.38 |
-0.5 |
0 |
|
|
65619 |
46386683 |
1 |
O2N5C25H27 |
A2B5C25D27 |
12.61 |
6.78 |
-8.38 |
-0.57 |
0 |
|
|
65620 |
46386684 |
1 |
ClFON5H25C26 |
ABCD5E25F26 |
-4.26 |
5.36 |
-8.46 |
-0.63 |
0 |
|
|
65621 |
46386685 |
1 |
OSN5C27H29 |
ABC5D27E29 |
52.74 |
5.62 |
-8.28 |
-0.57 |
0 |
|
|
65622 |
46386686 |
1 |
ClON5C26H26 |
ABC5D26E26 |
43.11 |
5.71 |
-8.45 |
-0.66 |
0 |
|
|
65623 |
46386687 |
1 |
ON5C27H35 |
AB5C27D35 |
1.23 |
6.04 |
-8.32 |
-0.48 |
0 |
|
|
65624 |
46386688 |
1 |
ON5C28H31 |
AB5C28D31 |
36.69 |
6.37 |
-8.41 |
-0.56 |
0 |
|
|
65625 |
46386689 |
1 |
ON5C28H31 |
AB5C28D31 |
40.09 |
7.38 |
-8.44 |
-0.6 |
0 |
|
|
65626 |
46386690 |
1 |
ON5C26H33 |
AB5C26D33 |
11.24 |
6.32 |
-8.29 |
-0.42 |
0 |
|
|
65627 |
46386691 |
1 |
ON5C29H33 |
AB5C29D33 |
39.71 |
5.78 |
-8.35 |
-0.52 |
0 |
|
|
65628 |
46386692 |
1 |
ON5C28H31 |
AB5C28D31 |
35.48 |
6.7 |
-8.37 |
-0.59 |
0 |
|
|
65629 |
46386693 |
1 |
ClON5C27H28 |
ABC5D27E28 |
34.05 |
5.04 |
-8.43 |
-0.64 |
0 |
|
|
65630 |
46386694 |
1 |
ON5C28H31 |
AB5C28D31 |
31.64 |
5.83 |
-8.41 |
-0.71 |
0 |
|
|
65631 |
46386695 |
1 |
ON5C28H31 |
AB5C28D31 |
37.63 |
5.79 |
-8.43 |
-0.63 |
0 |
|
|
65632 |
46386696 |
1 |
O2N5C26H29 |
A2B5C26D29 |
7.61 |
6.62 |
-8.37 |
-0.52 |
0 |
|
|
65633 |
46386697 |
1 |
FON5C27H28 |
ABC5D27E28 |
-3.74 |
8.18 |
-8.51 |
-0.7 |
0 |
|
|
65634 |
46386698 |
1 |
ClFON5C27H27 |
ABCD5E27F27 |
-7.61 |
7.98 |
-8.46 |
-0.68 |
0 |
|
|
65635 |
46386699 |
1 |
OSN5C28H31 |
ABC5D28E31 |
49.28 |
4.7 |
-8.35 |
-0.54 |
0 |
|
|
65636 |
46386700 |
1 |
FO2N5H24C25 |
AB2C5D24E25 |
-21.74 |
5.79 |
-8.61 |
-0.82 |
0 |
|
|
65637 |
46386701 |
1 |
O3N5C27H29 |
A3B5C27D29 |
-20.25 |
7.47 |
-8.53 |
-0.71 |
0 |
|
|
65638 |
46386702 |
1 |
O2N4H18C21 |
A2B4C18D21 |
22.41 |
4.65 |
-8.18 |
-0.7 |
0 |
|
|
65639 |
46386703 |
1 |
ClON4H15C20 |
ABC4D15E20 |
50.45 |
4.31 |
-8.37 |
-0.87 |
0 |
|
|
65640 |
46386704 |
1 |
ClON4H15C20 |
ABC4D15E20 |
51.57 |
1.39 |
-8.35 |
-0.84 |
0 |
|
|
65641 |
46386705 |
1 |
ON4H20C22 |
AB4C20D22 |
47.31 |
2.41 |
-8.31 |
-0.78 |
0 |
|
|
65642 |
46386706 |
1 |
ClON4H15C20 |
ABC4D15E20 |
46.96 |
5.32 |
-8.74 |
-1.04 |
0 |
|
|
65643 |
46386707 |
1 |
ClON4H17C21 |
ABC4D17E21 |
41.44 |
5.6 |
-8.33 |
-0.84 |
0 |
|
|
65644 |
46386708 |
1 |
ON4H20C22 |
AB4C20D22 |
38.43 |
3.7 |
-8.43 |
-0.94 |
0 |
|
|
65645 |
46386709 |
1 |
ON4H20C22 |
AB4C20D22 |
39.41 |
3.88 |
-8.26 |
-0.77 |
0 |
|
|
65646 |
46386710 |
1 |
ClON4H17C21 |
ABC4D17E21 |
39.44 |
4.9 |
-8.63 |
-0.86 |
0 |
|
|
65647 |
46386711 |
1 |
O3N4H20C22 |
A3B4C20D22 |
-18.86 |
5.04 |
-8.26 |
-0.75 |
0 |
|
|
65648 |
46386712 |
1 |
O3N4H20C23 |
A3B4C20D23 |
-40.3 |
3.5 |
-8.6 |
-0.7 |
0 |
|
|
65649 |
46386713 |
1 |
ClON4H17C21 |
ABC4D17E21 |
44.61 |
6.55 |
-8.57 |
-0.78 |
0 |
|
|
65650 |
46386714 |
1 |
ClFON4H14C20 |
ABCD4E14F20 |
5.33 |
7.47 |
-8.4 |
-0.92 |
0 |