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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
70552 |
48413499 |
1 |
SO2N4C20H30 |
AB2C4D20E30 |
-85.43 |
4.96 |
-8.71 |
-1.4 |
0 |
|
|
70553 |
48413503 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-61.89 |
3.26 |
-8.53 |
-0.6 |
0 |
|
|
70554 |
48413505 |
1 |
O3N4C22H34 |
A3B4C22D34 |
-140.75 |
8.34 |
-8.44 |
-0.61 |
0 |
|
|
70555 |
48413506 |
1 |
OSN5C20H31 |
ABC5D20E31 |
-8.32 |
6.41 |
-8.47 |
-0.55 |
0 |
|
|
70556 |
48413507 |
1 |
OS2N5C17H27 |
AB2C5D17E27 |
4.43 |
2.73 |
-8.57 |
-1.12 |
0 |
|
|
70557 |
48413509 |
1 |
N3O4C20H33 |
A3B4C20D33 |
-167.88 |
2.99 |
-8.48 |
-0.29 |
0 |
|
|
70558 |
48413510 |
1 |
OSN5C21H33 |
ABC5D21E33 |
-17.14 |
3.29 |
-8.55 |
-0.65 |
0 |
|
|
70559 |
48413511 |
1 |
OSN5C21H33 |
ABC5D21E33 |
-19.62 |
6.7 |
-8.23 |
-0.64 |
0 |
|
|
70560 |
48413512 |
1 |
O2N4C21H36 |
A2B4C21D36 |
-110.95 |
5.39 |
-8.69 |
-0.27 |
0 |
|
|
70561 |
48413515 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-65.1 |
6.36 |
-8.61 |
-0.87 |
0 |
|
|
70562 |
48413517 |
1 |
ON6C19H32 |
AB6C19D32 |
-8.44 |
6.96 |
-8.79 |
-0.87 |
0 |
|
|
70563 |
48413519 |
1 |
N3O3C20H35 |
A3B3C20D35 |
-171.89 |
5.29 |
-8.7 |
0.15 |
0 |
|
|
70564 |
48413520 |
1 |
SO2N4C21H30 |
AB2C4D21E30 |
-58.41 |
5.63 |
-8.68 |
-1.46 |
0 |
|
|
70565 |
48413521 |
1 |
O2N3C19H31 |
A2B3C19D31 |
-111.12 |
2.99 |
-8.57 |
0.04 |
0 |
|
|
70566 |
48413522 |
1 |
ON5C16H25 |
AB5C16D25 |
11.98 |
5.08 |
-8.59 |
-1.17 |
0 |
|
|
70567 |
48413523 |
1 |
N3O3C19H33 |
A3B3C19D33 |
-158.52 |
4.13 |
-8.54 |
0.06 |
0 |
|
|
70568 |
48413524 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-95.26 |
1.07 |
-8.31 |
-0.39 |
0 |
|
|
70569 |
48413525 |
1 |
SO2N3C23H33 |
AB2C3D23E33 |
-63.12 |
2.16 |
-8.66 |
-0.72 |
0 |
|
|
70570 |
48413527 |
1 |
ON5C18H27 |
AB5C18D27 |
11.26 |
4.17 |
-8.79 |
-1.13 |
0 |
|
|
70571 |
48413533 |
1 |
OSN4C21H32 |
ABC4D21E32 |
-20.57 |
0.76 |
-8.52 |
-1.16 |
0 |
|
|
70572 |
48413534 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-52.68 |
5.01 |
-8.68 |
-0.55 |
0 |
|
|
70573 |
48413535 |
1 |
O2N4C19H28 |
A2B4C19D28 |
-73.82 |
3.13 |
-8.61 |
-0.99 |
0 |
|
|
70574 |
48413537 |
1 |
ON6C17H26 |
AB6C17D26 |
36.6 |
7.41 |
-8.79 |
-1.45 |
0 |
|
|
70575 |
48413540 |
1 |
O2N3C18H31 |
A2B3C18D31 |
-115.25 |
4.77 |
-8.7 |
0.11 |
0 |
|
|
70576 |
48413541 |
1 |
SN2O4C21H30 |
AB2C4D21E30 |
-130.43 |
10.5 |
-8.6 |
-0.86 |
0 |
|
|
70577 |
48413542 |
1 |
O2N4C19H28 |
A2B4C19D28 |
-61.71 |
5.76 |
-8.76 |
-0.98 |
0 |
|
|
70578 |
48413543 |
1 |
O2N3C20H31 |
A2B3C20D31 |
-78.11 |
4.44 |
-8.42 |
-0.43 |
0 |
|
|
70579 |
48413544 |
3 |
ON2C6H10 |
AB2C6D10 |
-116.23 |
5.25 |
-8.61 |
-0.54 |
0 |
|
|
70580 |
48413547 |
1 |
FO2N3C22H34 |
AB2C3D22E34 |
-146.72 |
7.7 |
-8.69 |
-0.23 |
0 |
|
|
70581 |
48413548 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-44.19 |
5.3 |
-8.42 |
-1.24 |
0 |
|
|
70582 |
48413549 |
1 |
SO2N3C20H33 |
AB2C3D20E33 |
-102.65 |
6.49 |
-8.53 |
-0.45 |
0 |
|
|
70583 |
48413551 |
1 |
ON5C22H29 |
AB5C22D29 |
28.92 |
5.77 |
-8.43 |
-1.32 |
0 |
|
|
70584 |
48413552 |
2 |
ON2C10H17 |
AB2C10D17 |
-107.4 |
7.13 |
-8.44 |
-0.21 |
0 |
|
|
70585 |
48413555 |
1 |
BrN2O2C18H25 |
AB2C2D18E25 |
-58.71 |
2.92 |
-8.63 |
-0.99 |
0 |
|
|
70586 |
48413556 |
1 |
FO2N3C19H26 |
AB2C3D19E26 |
-68.47 |
2.96 |
-8.69 |
-0.96 |
0 |
|
|
70587 |
48413557 |
1 |
ClON4C17H25 |
ABC4D17E25 |
-20.32 |
1.59 |
-8.61 |
-0.94 |
0 |
|
|
70588 |
48413558 |
1 |
N3O4C20H35 |
A3B4C20D35 |
-203.59 |
0.87 |
-8.6 |
0.01 |
0 |
|
|
70589 |
48413560 |
1 |
ON4C16H30 |
AB4C16D30 |
-49.88 |
5.48 |
-8.44 |
0.16 |
0 |
|
|
70590 |
48413561 |
1 |
SO2N3C22H31 |
AB2C3D22E31 |
-61.68 |
4.13 |
-8.49 |
-0.84 |
0 |
|
|
70591 |
48413564 |
1 |
SN2O3C19H32 |
AB2C3D19E32 |
-140.15 |
8.67 |
-8.75 |
-0.87 |
0 |
|
|
70592 |
48413567 |
1 |
FON3C20H28 |
ABC3D20E28 |
-76.04 |
6.47 |
-8.67 |
-1.07 |
0 |
|
|
70593 |
48413569 |
1 |
SN3O3C18H31 |
AB3C3D18E31 |
-125.79 |
6.42 |
-8.75 |
-0.8 |
0 |
|
|
70594 |
48413570 |
1 |
N3O4C22H31 |
A3B4C22D31 |
-134.98 |
2.15 |
-8.68 |
-0.77 |
0 |
|
|
70595 |
48413571 |
1 |
O3N4C23H34 |
A3B4C23D34 |
-102.91 |
3.12 |
-8.71 |
-0.96 |
0 |
|
|
70596 |
48413572 |
1 |
ON6C21H32 |
AB6C21D32 |
7.05 |
10.71 |
-8.8 |
-1.15 |
0 |
|
|
70597 |
48413573 |
1 |
O2N3C24H33 |
A2B3C24D33 |
-69.42 |
7.25 |
-8.5 |
-0.52 |
0 |
|
|
70598 |
48413574 |
2 |
ON2C11H15 |
AB2C11D15 |
-52.2 |
5.4 |
-8.59 |
-0.93 |
0 |
|
|
70599 |
48413576 |
1 |
SN3O4C19H33 |
AB3C4D19E33 |
-162.03 |
4.07 |
-8.48 |
-0.82 |
0 |
|
|
70600 |
48413578 |
1 |
SN3O4C18H33 |
AB3C4D18E33 |
-172.48 |
4.52 |
-8.65 |
-0.91 |
0 |
|
|
70601 |
48413579 |
1 |
SN3O3C21H35 |
AB3C3D21E35 |
-135.74 |
7.77 |
-8.84 |
-0.23 |
0 |
|
|
70602 |
48413581 |
1 |
FON4C19H27 |
ABC4D19E27 |
-44.72 |
3.05 |
-8.46 |
-0.94 |
0 |
|
|
70603 |
48413582 |
1 |
SN3O4C15H27 |
AB3C4D15E27 |
-146.99 |
2.39 |
-8.67 |
-0.96 |
0 |
|
|
70604 |
48413583 |
1 |
N3O3C16H27 |
A3B3C16D27 |
-123.42 |
3.06 |
-8.79 |
-0.09 |
0 |
|
|
70605 |
48413584 |
1 |
FO2N3C23H30 |
AB2C3D23E30 |
-112.17 |
3.46 |
-8.42 |
-0.81 |
0 |
|
|
70606 |
48413586 |
2 |
ON2C10H16 |
AB2C10D16 |
-74.75 |
3.85 |
-8.48 |
-0.33 |
0 |
|
|
70607 |
48413587 |
1 |
N2O3C19H30 |
A2B3C19D30 |
-138.34 |
6.13 |
-8.56 |
-0.44 |
0 |
|
|
70608 |
48413588 |
1 |
ON5C18H29 |
AB5C18D29 |
-17.88 |
7.66 |
-8.53 |
-1.0 |
0 |
|
|
70609 |
48413590 |
1 |
O2N3C23H33 |
A2B3C23D33 |
-83.16 |
4.84 |
-8.67 |
-0.67 |
0 |
|
|
70610 |
48413591 |
1 |
SN3O3C21H31 |
AB3C3D21E31 |
-79.19 |
3.68 |
-8.47 |
-0.83 |
0 |
|
|
70611 |
48413592 |
1 |
ClO2N3C20H30 |
AB2C3D20E30 |
-104.56 |
8.56 |
-8.89 |
-0.15 |
0 |
|
|
70612 |
48413593 |
1 |
SN3O3C15H25 |
AB3C3D15E25 |
-60.24 |
8.79 |
-8.73 |
-1.58 |
0 |
|
|
70613 |
48413594 |
1 |
ON4C22H34 |
AB4C22D34 |
-26.83 |
4.36 |
-8.55 |
-0.34 |
0 |
|
|
70614 |
48413595 |
1 |
FO2N4C19H27 |
AB2C4D19E27 |
-117.05 |
1.37 |
-8.49 |
-1.24 |
0 |
|
|
70615 |
48413596 |
1 |
ON3C21H33 |
AB3C21D33 |
-60.92 |
5.03 |
-8.4 |
0.01 |
0 |
|
|
70616 |
48413598 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-158.24 |
5.84 |
-8.42 |
-0.12 |
0 |
|
|
70617 |
48413599 |
1 |
FON4C22H33 |
ABC4D22E33 |
-67.51 |
3.73 |
-8.6 |
-0.68 |
0 |
|
|
70618 |
48413600 |
1 |
FON4C21H31 |
ABC4D21E31 |
-64.68 |
3.39 |
-8.72 |
-0.69 |
0 |
|
|
70619 |
48413603 |
1 |
BrON4C19H27 |
ABC4D19E27 |
5.58 |
4.27 |
-8.69 |
-1.03 |
0 |
|
|
70620 |
48413605 |
1 |
O2N5C21H35 |
A2B5C21D35 |
-66.92 |
7.38 |
-8.55 |
-0.98 |
0 |
|
|
70621 |
48413606 |
1 |
OF2N4C21H30 |
AB2C4D21E30 |
-113.37 |
3.43 |
-8.5 |
-0.92 |
0 |
|
|
70622 |
48413607 |
1 |
SN4O4C20H22 |
AB4C4D20E22 |
-66.59 |
6.38 |
-9.31 |
-0.77 |
0 |
|
|
70623 |
48413608 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-14.17 |
4.93 |
-9.68 |
-0.82 |
0 |
|
|
70624 |
48413609 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-38.15 |
5.59 |
-8.84 |
-0.72 |
0 |
|
|
70625 |
48413610 |
1 |
O3N5C23H25 |
A3B5C23D25 |
-22.36 |
4.56 |
-8.7 |
-0.82 |
0 |
|
|
70626 |
48413611 |
2 |
N2O2C11H12 |
A2B2C11D12 |
-60.04 |
1.94 |
-9.22 |
-0.82 |
0 |
|
|
70627 |
48413614 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-92.01 |
4.57 |
-9.56 |
-0.59 |
0 |
|
|
70628 |
48413615 |
1 |
FN3O3C22H24 |
AB3C3D22E24 |
-77.72 |
6.44 |
-9.01 |
-0.76 |
0 |
|
|
70629 |
48413616 |
1 |
O2N5C20H25 |
A2B5C20D25 |
9.92 |
6.46 |
-9.05 |
-0.83 |
0 |
|
|
70630 |
48413617 |
1 |
O3N4H22C23 |
A3B4C22D23 |
0.2 |
5.79 |
-9.46 |
-1.27 |
0 |
|
|
70631 |
48413620 |
1 |
BrO2N4C17H17 |
AB2C4D17E17 |
22.62 |
2.1 |
-9.5 |
-0.8 |
0 |
|
|
70632 |
48413621 |
1 |
O3N6H20C21 |
A3B6C20D21 |
27.88 |
5.91 |
-9.68 |
-1.43 |
0 |
|
|
70633 |
48413624 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-22.63 |
6.32 |
-9.59 |
-0.71 |
0 |
|
|
70634 |
48413626 |
1 |
F2N3O3C21H21 |
A2B3C3D21E21 |
-135.67 |
2.58 |
-9.64 |
-0.84 |
0 |
|
|
70635 |
48413627 |
1 |
SN3O4C21H23 |
AB3C4D21E23 |
-70.25 |
8.85 |
-9.44 |
-0.57 |
0 |
|
|
70636 |
48413628 |
1 |
O3N5C23H23 |
A3B5C23D23 |
36.54 |
4.93 |
-9.65 |
-0.85 |
0 |
|
|
70637 |
48413637 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-42.29 |
2.69 |
-9.43 |
-0.74 |
0 |
|
|
70638 |
48413638 |
1 |
N4O4C21H24 |
A4B4C21D24 |
-65.51 |
3.56 |
-9.6 |
-0.66 |
0 |
|
|
70639 |
48413641 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-30.73 |
3.91 |
-9.17 |
-0.76 |
0 |
|
|
70640 |
48413642 |
1 |
ClO2N3C20H20 |
AB2C3D20E20 |
1.37 |
4.02 |
-9.56 |
-0.73 |
0 |
|
|
70641 |
48413643 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-52.07 |
5.99 |
-8.75 |
-0.69 |
0 |
|
|
70642 |
48413645 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-0.52 |
4.79 |
-9.6 |
-0.73 |
0 |
|
|
70643 |
48413646 |
1 |
O4N5C21H27 |
A4B5C21D27 |
-106.08 |
1.54 |
-9.63 |
-0.74 |
0 |
|
|
70644 |
48413647 |
1 |
ClO2N4H17C18 |
AB2C4D17E18 |
25.57 |
3.3 |
-9.77 |
-1.08 |
0 |
|
|
70645 |
48413651 |
1 |
F2N3O4C21H21 |
A2B3C4D21E21 |
-163.36 |
6.09 |
-9.46 |
-0.84 |
0 |
|
|
70646 |
48413653 |
1 |
O3N5H21C22 |
A3B5C21D22 |
-2.93 |
3.28 |
-9.43 |
-0.94 |
0 |
|
|
70647 |
48413655 |
1 |
ClN3O4C21H22 |
AB3C4D21E22 |
-63.31 |
2.89 |
-8.91 |
-0.77 |
0 |
|
|
70648 |
48413656 |
1 |
N3O4C22H23 |
A3B4C22D23 |
-62.44 |
6.31 |
-8.93 |
-0.73 |
0 |
|
|
70649 |
48413657 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-70.71 |
3.94 |
-8.39 |
-0.83 |
0 |
|
|
70650 |
48413658 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-35.07 |
4.62 |
-8.92 |
-0.71 |
0 |
|
|
70651 |
48413659 |
1 |
O2N3C20H21 |
A2B3C20D21 |
9.33 |
5.27 |
-9.64 |
-0.69 |
0 |