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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
353485 |
127285044 |
3 |
NOC7H13 |
ABC7D13 |
-170.97 |
1.09 |
-8.95 |
1.18 |
0 |
|
|
353486 |
127285045 |
1 |
N2O3C15H26 |
A2B3C15D26 |
-146.61 |
3.84 |
-8.94 |
0.86 |
0 |
|
|
353487 |
127285046 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-123.26 |
5.31 |
-8.8 |
-0.99 |
0 |
|
|
353488 |
127285047 |
1 |
O2N4C15H24 |
A2B4C15D24 |
-58.34 |
4.46 |
-9.15 |
-0.12 |
0 |
|
|
353489 |
127285057 |
1 |
SO2N3C19H31 |
AB2C3D19E31 |
-98.7 |
2.94 |
-8.85 |
-0.78 |
0 |
|
|
353490 |
127285058 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-111.28 |
3.09 |
-8.7 |
-0.25 |
0 |
|
|
353491 |
127285059 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-46.64 |
6.5 |
-8.66 |
-0.96 |
0 |
|
|
353492 |
127285060 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-110.63 |
1.61 |
-8.92 |
-0.57 |
0 |
|
|
353493 |
127285070 |
1 |
SN2O4C17H30 |
AB2C4D17E30 |
-199.99 |
2.94 |
-8.99 |
0.44 |
0 |
|
|
353494 |
127285071 |
1 |
O2N5C22H33 |
A2B5C22D33 |
-55.16 |
3.52 |
-9.01 |
-0.57 |
0 |
|
|
353495 |
127285072 |
1 |
SO4N5C17H29 |
AB4C5D17E29 |
-152.91 |
9.69 |
-8.73 |
-0.12 |
0 |
|
|
353496 |
127285073 |
1 |
N3O3C21H37 |
A3B3C21D37 |
-175.46 |
5.02 |
-9.05 |
0.97 |
0 |
|
|
353497 |
127285074 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-43.17 |
5.04 |
-8.88 |
-0.98 |
0 |
|
|
353498 |
127285075 |
1 |
SO2N3C18H29 |
AB2C3D18E29 |
-86.15 |
6.8 |
-8.7 |
-0.84 |
0 |
|
|
353499 |
127285076 |
1 |
SO2N3C17H27 |
AB2C3D17E27 |
-79.78 |
5.26 |
-8.92 |
-0.74 |
0 |
|
|
353500 |
127285077 |
1 |
SO2N3C19H31 |
AB2C3D19E31 |
-96.18 |
5.79 |
-8.99 |
-0.47 |
0 |
|
|
353501 |
127285078 |
1 |
O2N4C21H34 |
A2B4C21D34 |
-80.43 |
8.11 |
-8.68 |
0.12 |
0 |
|
|
353502 |
127285079 |
2 |
ON2C9H15 |
AB2C9D15 |
-87.23 |
2.57 |
-8.97 |
0.43 |
0 |
|
|
353503 |
127285080 |
2 |
ON2C10H15 |
AB2C10D15 |
-73.32 |
5.03 |
-8.57 |
-0.18 |
0 |
|
|
353504 |
127285081 |
1 |
SN3O3C18H31 |
AB3C3D18E31 |
-153.67 |
4.17 |
-8.97 |
0.0 |
0 |
|
|
353505 |
127285082 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-45.6 |
6.65 |
-8.69 |
-1.0 |
0 |
|
|
353506 |
127285083 |
1 |
SO2N4C19H24 |
AB2C4D19E24 |
-25.52 |
4.14 |
-8.81 |
-1.55 |
0 |
|
|
353507 |
127285084 |
1 |
N2O3C16H28 |
A2B3C16D28 |
-158.31 |
1.51 |
-8.72 |
1.18 |
0 |
|
|
353508 |
127285085 |
1 |
ClO2N3C20H26 |
AB2C3D20E26 |
-74.04 |
7.89 |
-8.7 |
-0.31 |
0 |
|
|
353509 |
127285086 |
1 |
SO2N3C19H31 |
AB2C3D19E31 |
-98.5 |
3.04 |
-8.85 |
-0.79 |
0 |
|
|
353510 |
127285087 |
1 |
SN3O3C17H29 |
AB3C3D17E29 |
-148.04 |
4.09 |
-8.97 |
-0.01 |
0 |
|
|
353511 |
127285088 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-113.62 |
3.24 |
-8.85 |
-0.59 |
0 |
|
|
353512 |
127285089 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-77.39 |
5.03 |
-8.37 |
0.02 |
0 |
|
|
353513 |
127285090 |
1 |
O2N5C18H25 |
A2B5C18D25 |
-18.38 |
1.3 |
-8.8 |
-0.9 |
0 |
|
|
353514 |
127285091 |
1 |
O3N4C20H30 |
A3B4C20D30 |
-112.02 |
8.68 |
-8.99 |
-0.92 |
0 |
|
|
353515 |
127285092 |
1 |
N3O3C13H23 |
A3B3C13D23 |
-145.53 |
2.12 |
-9.03 |
0.67 |
0 |
|
|
353516 |
127285093 |
1 |
N3O4C16H29 |
A3B4C16D29 |
-191.61 |
2.27 |
-8.96 |
0.8 |
0 |
|
|
353517 |
127285094 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-154.63 |
1.05 |
-8.67 |
0.94 |
0 |
|
|
353518 |
127285095 |
1 |
O2N6C11H20 |
A2B6C11D20 |
-14.78 |
5.95 |
-8.96 |
-0.59 |
0 |
|
|
353519 |
127285096 |
2 |
N2O2C7H12 |
A2B2C7D12 |
-175.61 |
6.98 |
-8.6 |
-0.32 |
0 |
|
|
353520 |
127285097 |
1 |
SN4O5C16H28 |
AB4C5D16E28 |
-180.12 |
4.25 |
-8.98 |
-0.42 |
0 |
|
|
353521 |
127285098 |
1 |
SN3O4C18H27 |
AB3C4D18E27 |
-153.7 |
5.4 |
-8.49 |
-0.23 |
0 |
|
|
353522 |
127285099 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-159.16 |
5.33 |
-8.6 |
0.15 |
0 |
|
|
353523 |
127285100 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-163.1 |
5.29 |
-8.79 |
-0.24 |
0 |
|
|
353524 |
127285101 |
1 |
SN3O5C17H29 |
AB3C5D17E29 |
-231.32 |
8.2 |
-9.18 |
0.66 |
0 |
|
|
353525 |
127285102 |
2 |
N2O2C9H12 |
A2B2C9D12 |
-157.93 |
7.87 |
-8.58 |
-1.13 |
0 |
|
|
353526 |
127285103 |
3 |
FNOC5H8 |
ABCD5E8 |
-312.61 |
2.76 |
-8.79 |
0.36 |
0 |
|
|
353527 |
127285104 |
1 |
N3O3C18H31 |
A3B3C18D31 |
-137.6 |
5.08 |
-8.78 |
0.96 |
0 |
|
|
353528 |
127285105 |
1 |
O3N5C20H31 |
A3B5C20D31 |
-91.2 |
9.6 |
-8.47 |
-1.09 |
0 |
|
|
353529 |
127285106 |
3 |
NOC5H9 |
ABC5D9 |
-156.84 |
2.72 |
-8.72 |
0.68 |
0 |
|
|
353530 |
127285107 |
1 |
O3N4C15H24 |
A3B4C15D24 |
-115.61 |
3.52 |
-8.41 |
-1.29 |
0 |
|
|
353531 |
127285108 |
1 |
N2O4C13H24 |
A2B4C13D24 |
-179.59 |
4.19 |
-8.95 |
1.01 |
0 |
|
|
353532 |
127285109 |
1 |
N3O3C22H33 |
A3B3C22D33 |
-136.82 |
5.96 |
-8.73 |
-0.22 |
0 |
|
|
353533 |
127285110 |
1 |
SN4O4C16H26 |
AB4C4D16E26 |
-138.42 |
4.89 |
-8.74 |
-1.21 |
0 |
|
|
353534 |
127285111 |
4 |
NOC4H7 |
ABC4D7 |
-176.06 |
4.48 |
-8.63 |
-0.28 |
0 |
|
|
353535 |
127285112 |
1 |
N3O3C14H25 |
A3B3C14D25 |
-151.22 |
5.6 |
-8.82 |
0.91 |
0 |
|
|
353536 |
127285113 |
1 |
N3O3C17H31 |
A3B3C17D31 |
-166.98 |
2.34 |
-8.7 |
0.82 |
0 |
|
|
353537 |
127285114 |
1 |
SN3O4C13H25 |
AB3C4D13E25 |
-178.71 |
6.52 |
-8.88 |
0.13 |
0 |
|
|
353538 |
127285115 |
1 |
SN3O4C14H27 |
AB3C4D14E27 |
-184.36 |
8.26 |
-8.74 |
0.22 |
0 |
|
|
353539 |
127285116 |
1 |
O3N4C17H32 |
A3B4C17D32 |
-169.44 |
3.44 |
-8.72 |
0.63 |
0 |
|
|
353540 |
127285117 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-44.05 |
4.32 |
-8.75 |
-0.78 |
0 |
|
|
353541 |
127285118 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-110.3 |
5.02 |
-8.74 |
-0.39 |
0 |
|
|
353542 |
127285119 |
1 |
SN2O4C20H30 |
AB2C4D20E30 |
-160.57 |
4.52 |
-9.04 |
-0.82 |
0 |
|
|
353543 |
127285120 |
1 |
SO4N5C15H27 |
AB4C5D15E27 |
-149.31 |
10.44 |
-8.44 |
-0.03 |
0 |
|
|
353544 |
127285121 |
1 |
SO2N6C14H20 |
AB2C6D14E20 |
-1.66 |
2.85 |
-8.89 |
-1.53 |
0 |
|
|
353545 |
127285122 |
1 |
N3O3C21H37 |
A3B3C21D37 |
-178.47 |
5.27 |
-8.92 |
1.26 |
0 |
|
|
353546 |
127285123 |
1 |
SN3O3C16H29 |
AB3C3D16E29 |
-152.33 |
2.97 |
-8.86 |
-0.24 |
0 |
|
|
353547 |
127285124 |
1 |
SN3O3C15H27 |
AB3C3D15E27 |
-146.6 |
2.83 |
-8.88 |
-0.23 |
0 |
|
|
353548 |
127285125 |
1 |
O3N5C17H25 |
A3B5C17D25 |
-84.92 |
6.49 |
-8.51 |
-1.14 |
0 |
|
|
353549 |
127285126 |
1 |
NOC13H23 |
ABC13D23 |
-90.8 |
3.6 |
-9.53 |
1.42 |
0 |
|
|
353550 |
127285127 |
2 |
NOC7H12 |
ABC7D12 |
-128.6 |
2.8 |
-9.4 |
1.04 |
0 |
|
|
353551 |
127285128 |
2 |
NOC8H10 |
ABC8D10 |
-62.77 |
2.63 |
-9.42 |
-0.51 |
0 |
|
|
353552 |
127285129 |
1 |
SN2O3C13H24 |
AB2C3D13E24 |
-165.37 |
3.58 |
-9.51 |
0.63 |
0 |
|
|
353553 |
127285130 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-118.64 |
2.96 |
-9.2 |
0.98 |
0 |
|
|
353554 |
127285131 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-123.32 |
1.9 |
-9.3 |
0.89 |
0 |
|
|
353555 |
127285132 |
1 |
SN2O3C12H22 |
AB2C3D12E22 |
-153.13 |
5.71 |
-9.9 |
0.71 |
0 |
|
|
353556 |
127285133 |
1 |
ON4C17H28 |
AB4C17D28 |
-45.77 |
6.17 |
-8.99 |
0.89 |
0 |
|
|
353557 |
127285134 |
1 |
O2N3C15H17 |
A2B3C15D17 |
-3.84 |
2.44 |
-9.99 |
-1.29 |
0 |
|
|
353558 |
127285135 |
1 |
ON4C18H24 |
AB4C18D24 |
-4.88 |
4.27 |
-9.37 |
-0.52 |
0 |
|
|
353559 |
127285136 |
1 |
ON4C17H22 |
AB4C17D22 |
5.0 |
2.85 |
-9.53 |
-0.6 |
0 |
|
|
353560 |
127285137 |
1 |
SN2O3C18H26 |
AB2C3D18E26 |
-126.9 |
5.46 |
-9.66 |
-0.4 |
0 |
|
|
353561 |
127285138 |
2 |
NOC8H13 |
ABC8D13 |
-122.74 |
4.62 |
-9.38 |
1.02 |
0 |
|
|
353562 |
127285139 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-116.03 |
2.87 |
-9.39 |
0.97 |
0 |
|
|
353563 |
127285140 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-200.48 |
6.46 |
-9.47 |
-0.07 |
0 |
|
|
353564 |
127285141 |
1 |
SN3O4C19H27 |
AB3C4D19E27 |
-165.55 |
9.89 |
-9.56 |
-0.42 |
0 |
|
|
353565 |
127285142 |
1 |
SN3O4C19H27 |
AB3C4D19E27 |
-168.43 |
4.75 |
-9.29 |
-0.5 |
0 |
|
|
353566 |
127285143 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-150.32 |
7.56 |
-9.27 |
-0.75 |
0 |
|
|
353567 |
127285144 |
1 |
N3O3C17H27 |
A3B3C17D27 |
-161.06 |
5.74 |
-9.34 |
0.63 |
0 |
|
|
353568 |
127285145 |
2 |
O2N3C9H12 |
A2B3C9D12 |
-141.21 |
7.78 |
-9.36 |
-0.77 |
0 |
|
|
353569 |
127285146 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-159.13 |
6.24 |
-9.03 |
-0.55 |
0 |
|
|
353570 |
127285147 |
1 |
SN3O4C19H25 |
AB3C4D19E25 |
-130.15 |
5.23 |
-9.59 |
-0.96 |
0 |
|
|
353571 |
127285148 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-94.35 |
4.3 |
-9.51 |
-0.62 |
0 |
|
|
353572 |
127285149 |
1 |
N3O4C18H21 |
A3B4C18D21 |
-147.41 |
5.09 |
-9.19 |
-0.86 |
0 |
|
|
353573 |
127285150 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-115.42 |
2.79 |
-9.46 |
-0.81 |
0 |
|
|
353574 |
127285151 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-120.05 |
2.66 |
-8.79 |
-0.63 |
0 |
|
|
353575 |
127285152 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-151.39 |
2.03 |
-8.75 |
-0.24 |
0 |
|
|
353576 |
127285153 |
2 |
N2O2C10H15 |
A2B2C10D15 |
-202.78 |
2.36 |
-9.34 |
-0.05 |
0 |
|
|
353577 |
127285154 |
2 |
NOC8H12 |
ABC8D12 |
-96.39 |
4.97 |
-9.4 |
0.89 |
0 |
|
|
353578 |
127285155 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-103.45 |
4.43 |
-9.1 |
-0.83 |
0 |
|
|
353579 |
127285156 |
1 |
SN3O4C19H25 |
AB3C4D19E25 |
-154.54 |
10.95 |
-8.89 |
-0.21 |
0 |
|
|
353580 |
127285157 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-102.41 |
3.97 |
-9.06 |
-0.31 |
0 |
|
|
353581 |
127285158 |
1 |
FN2O4C19H23 |
AB2C4D19E23 |
-209.43 |
5.24 |
-9.33 |
-0.58 |
0 |
|
|
353582 |
127285159 |
4 |
NOC5H6 |
ABC5D6 |
-166.47 |
2.6 |
-9.48 |
-0.95 |
0 |
|
|
353583 |
127285160 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-97.6 |
5.41 |
-9.2 |
-1.2 |
0 |
|
|
353584 |
127285161 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-60.39 |
7.2 |
-9.63 |
-1.19 |
0 |