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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
158489 |
56464005 |
1 |
SO2N3C23H29 |
AB2C3D23E29 |
-30.53 |
3.85 |
-8.49 |
-0.42 |
0 |
|
|
158490 |
56464014 |
1 |
BrSN3O3C17H24 |
ABC3D3E17F24 |
-64.01 |
4.54 |
-8.95 |
-1.24 |
0 |
|
|
158491 |
56464031 |
1 |
SO3N5C20H23 |
AB3C5D20E23 |
-32.76 |
7.52 |
-9.09 |
-1.31 |
0 |
|
|
158492 |
56464048 |
1 |
N2S2O5C18H22 |
A2B2C5D18E22 |
-157.31 |
4.11 |
-8.95 |
-1.33 |
0 |
|
|
158493 |
56464062 |
1 |
NSO6C18H19 |
ABC6D18E19 |
-187.45 |
8.78 |
-8.3 |
-0.89 |
0 |
|
|
158494 |
56464076 |
1 |
SN3O6C21H23 |
AB3C6D21E23 |
-196.27 |
7.52 |
-8.33 |
-0.76 |
0 |
|
|
158495 |
56464077 |
1 |
ClSN3O4C19H20 |
ABC3D4E19F20 |
-133.1 |
6.84 |
-8.66 |
-0.9 |
0 |
|
|
158496 |
56464086 |
1 |
O3N5C25H29 |
A3B5C25D29 |
-9.72 |
3.91 |
-8.29 |
-1.07 |
0 |
|
|
158497 |
56464087 |
1 |
O2N5C22H35 |
A2B5C22D35 |
-81.31 |
3.13 |
-8.56 |
0.05 |
0 |
|
|
158498 |
56464091 |
1 |
OSN6C24H30 |
ABC6D24E30 |
52.01 |
3.01 |
-8.66 |
-0.68 |
0 |
|
|
158499 |
56464099 |
1 |
SO3N4C26H36 |
AB3C4D26E36 |
-93.89 |
7.12 |
-8.36 |
-0.35 |
0 |
|
|
158500 |
56464100 |
1 |
ClO2N3C22H22 |
AB2C3D22E22 |
-52.38 |
4.43 |
-8.34 |
-0.63 |
0 |
|
|
158501 |
56464101 |
1 |
SN4O4C22H28 |
AB4C4D22E28 |
-140.54 |
7.95 |
-7.58 |
-0.32 |
0 |
|
|
158502 |
56464102 |
1 |
ClSO2N5H18C19 |
ABC2D5E18F19 |
-2.21 |
9.6 |
-8.84 |
-0.97 |
0 |
|
|
158503 |
56464103 |
1 |
SO3N4H24C26 |
AB3C4D24E26 |
-62.83 |
8.01 |
-8.9 |
-1.34 |
0 |
|
|
158504 |
56464104 |
1 |
SN3O5C20H23 |
AB3C5D20E23 |
-153.28 |
3.69 |
-8.65 |
-0.76 |
0 |
|
|
158505 |
56464105 |
1 |
SO2N4C22H24 |
AB2C4D22E24 |
-29.12 |
5.65 |
-8.32 |
-0.15 |
0 |
|
|
158506 |
56464106 |
1 |
O2N3C22H23 |
A2B3C22D23 |
-42.75 |
4.41 |
-8.25 |
-0.29 |
0 |
|
|
158507 |
56464108 |
1 |
SO3N5C20H25 |
AB3C5D20E25 |
-46.16 |
4.57 |
-8.85 |
-1.03 |
0 |
|
|
158508 |
56464110 |
2 |
O2N3C12H16 |
A2B3C12D16 |
-100.39 |
7.54 |
-9.78 |
-1.34 |
0 |
|
|
158509 |
56464111 |
1 |
O4N5C21H23 |
A4B5C21D23 |
-67.3 |
7.3 |
-9.4 |
-0.97 |
0 |
|
|
158510 |
56464112 |
1 |
SN4O4C23H26 |
AB4C4D23E26 |
-46.11 |
6.3 |
-9.13 |
-1.27 |
0 |
|
|
158511 |
56464113 |
1 |
SN4O4C22H26 |
AB4C4D22E26 |
-56.71 |
7.89 |
-9.48 |
-1.14 |
0 |
|
|
158512 |
56464114 |
1 |
SN4O4C19H24 |
AB4C4D19E24 |
-46.84 |
5.79 |
-9.87 |
-1.32 |
0 |
|
|
158513 |
56464115 |
1 |
S2N4O4C21H24 |
A2B4C4D21E24 |
-34.97 |
7.28 |
-9.24 |
-1.11 |
0 |
|
|
158514 |
56464116 |
1 |
SN4O4C24H28 |
AB4C4D24E28 |
-56.44 |
7.28 |
-8.76 |
-1.23 |
0 |
|
|
158515 |
56464117 |
1 |
SN4O6C24H26 |
AB4C6D24E26 |
-117.19 |
10.36 |
-9.1 |
-0.99 |
0 |
|
|
158516 |
56464118 |
1 |
S2O3N5C21H25 |
A2B3C5D21E25 |
-28.89 |
4.7 |
-8.5 |
-0.98 |
0 |
|
|
158517 |
56464119 |
1 |
SN4O4C19H26 |
AB4C4D19E26 |
-85.42 |
5.43 |
-10.07 |
-0.81 |
0 |
|
|
158518 |
56464120 |
1 |
BrO2N4C18H19 |
AB2C4D18E19 |
27.01 |
3.46 |
-9.17 |
-0.99 |
0 |
|
|
158519 |
56464121 |
1 |
OSN3C18H31 |
ABC3D18E31 |
-65.97 |
4.45 |
-8.62 |
-0.7 |
0 |
|
|
158520 |
56464122 |
1 |
SO2N3C23H29 |
AB2C3D23E29 |
-47.57 |
3.15 |
-8.23 |
-0.59 |
0 |
|
|
158521 |
56464126 |
1 |
O4N5C21H31 |
A4B5C21D31 |
-170.27 |
9.0 |
-8.54 |
-0.62 |
0 |
|
|
158522 |
56464129 |
1 |
OSN3C19H25 |
ABC3D19E25 |
10.55 |
5.29 |
-8.49 |
-0.84 |
0 |
|
|
158523 |
56464130 |
1 |
N2O2C21H28 |
A2B2C21D28 |
-43.52 |
4.82 |
-8.36 |
-0.17 |
0 |
|
|
158524 |
56464131 |
1 |
O2N4C23H26 |
A2B4C23D26 |
62.68 |
4.76 |
-9.03 |
-1.28 |
0 |
|
|
158525 |
56464132 |
1 |
ON3C20H29 |
AB3C20D29 |
-14.87 |
3.43 |
-8.64 |
-0.35 |
0 |
|
|
158526 |
56464133 |
1 |
N3O5C21H31 |
A3B5C21D31 |
-167.5 |
2.33 |
-8.56 |
-0.13 |
0 |
|
|
158527 |
56464134 |
1 |
OSN5C20H23 |
ABC5D20E23 |
85.53 |
5.75 |
-8.88 |
-1.02 |
0 |
|
|
158528 |
56464135 |
2 |
OSN2C12H15 |
ABC2D12E15 |
-35.9 |
8.24 |
-8.48 |
-1.41 |
0 |
|
|
158529 |
56464136 |
1 |
ClOSN3C17H20 |
ABCD3E17F20 |
20.53 |
2.23 |
-8.98 |
-1.32 |
0 |
|
|
158530 |
56464137 |
1 |
SO3N5C23H37 |
AB3C5D23E37 |
-89.51 |
7.88 |
-9.05 |
-0.58 |
0 |
|
|
158531 |
56464138 |
1 |
OF3N7C19H26 |
AB3C7D19E26 |
-98.46 |
11.55 |
-9.28 |
-1.16 |
0 |
|
|
158532 |
56464139 |
1 |
OSN5C22H29 |
ABC5D22E29 |
44.81 |
5.89 |
-8.56 |
-1.08 |
0 |
|
|
158533 |
56464141 |
1 |
SO3N4C20H28 |
AB3C4D20E28 |
-59.25 |
7.57 |
-9.23 |
-1.25 |
0 |
|
|
158534 |
56464142 |
1 |
ON3C20H33 |
AB3C20D33 |
-46.69 |
4.29 |
-8.33 |
0.95 |
0 |
|
|
158535 |
56464144 |
1 |
O2N3C21H23 |
A2B3C21D23 |
39.86 |
7.51 |
-9.02 |
-1.41 |
0 |
|
|
158536 |
56464147 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-71.54 |
3.18 |
-8.69 |
0.32 |
0 |
|
|
158537 |
56464148 |
1 |
ClOSN4C21H25 |
ABCD4E21F25 |
43.71 |
3.34 |
-8.53 |
-0.7 |
0 |
|
|
158538 |
56464149 |
1 |
O2N4C25H30 |
A2B4C25D30 |
18.65 |
7.65 |
-8.45 |
-0.26 |
0 |
|
|
158539 |
56464150 |
1 |
FOSN4C20H23 |
ABCD4E20F23 |
11.8 |
1.9 |
-8.62 |
-1.12 |
0 |
|
|
158540 |
56464151 |
1 |
ClOSN4C21H25 |
ABCD4E21F25 |
46.57 |
4.57 |
-8.68 |
-0.54 |
0 |
|
|
158541 |
56464152 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-74.29 |
7.21 |
-8.34 |
-0.77 |
0 |
|
|
158542 |
56464153 |
1 |
O3N4C24H30 |
A3B4C24D30 |
-31.29 |
6.48 |
-9.34 |
-0.49 |
0 |
|
|
158543 |
56464154 |
1 |
SO3N4C20H26 |
AB3C4D20E26 |
-50.86 |
6.19 |
-9.13 |
-0.45 |
0 |
|
|
158544 |
56464155 |
1 |
ClN3O4C22H30 |
AB3C4D22E30 |
-99.07 |
7.19 |
-8.78 |
-0.51 |
0 |
|
|
158545 |
56464156 |
1 |
N4O5C23H28 |
A4B5C23D28 |
-62.9 |
5.4 |
-8.79 |
-0.52 |
0 |
|
|
158546 |
56464157 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-41.61 |
6.14 |
-8.96 |
-0.34 |
0 |
|
|
158547 |
56464158 |
1 |
ClSN4O4C18H23 |
ABC4D4E18F23 |
-76.7 |
1.8 |
-9.9 |
-1.2 |
0 |
|
|
158548 |
56464159 |
1 |
SO4N5C18H21 |
AB4C5D18E21 |
-36.42 |
5.75 |
-10.09 |
-1.17 |
0 |
|
|
158549 |
56464161 |
1 |
SN4O4C21H30 |
AB4C4D21E30 |
-94.39 |
5.96 |
-9.6 |
-0.81 |
0 |
|
|
158550 |
56464162 |
1 |
N2S3O5C16H20 |
A2B3C5D16E20 |
-163.97 |
7.42 |
-8.85 |
-1.56 |
0 |
|
|
158551 |
56464163 |
1 |
INSO5C13H18 |
ABCD5E13F18 |
-168.4 |
6.11 |
-8.94 |
-1.19 |
0 |
|
|
158552 |
56464165 |
1 |
N2S2O5C17H26 |
A2B2C5D17E26 |
-210.46 |
5.41 |
-9.43 |
0.16 |
0 |
|
|
158553 |
56464167 |
1 |
ClINSO3C11H13 |
ABCDE3F11G13 |
-99.2 |
1.96 |
-9.86 |
-1.45 |
0 |
|
|
158554 |
56464168 |
1 |
N2S2F3O6C17H23 |
A2B2C3D6E17F23 |
-396.86 |
3.5 |
-9.63 |
-1.16 |
0 |
|
|
158555 |
56464170 |
1 |
S2N3O6C15H21 |
A2B3C6D15E21 |
-221.78 |
3.8 |
-10.09 |
-1.38 |
0 |
|
|
158556 |
56464171 |
1 |
N2S2O5C18H28 |
A2B2C5D18E28 |
-230.31 |
9.71 |
-9.33 |
-0.03 |
0 |
|
|
158557 |
56464172 |
1 |
S2O3N4C18H26 |
A2B3C4D18E26 |
-98.3 |
5.47 |
-8.71 |
-0.79 |
0 |
|
|
158558 |
56464174 |
1 |
SN2O4C21H26 |
AB2C4D21E26 |
-144.04 |
9.3 |
-9.05 |
-0.68 |
0 |
|
|
158559 |
56464175 |
1 |
SN2O4C21H26 |
AB2C4D21E26 |
-143.38 |
7.42 |
-9.11 |
-0.71 |
0 |
|
|
158560 |
56464177 |
1 |
BrN2S2O3C15H17 |
AB2C2D3E15F17 |
-79.13 |
8.16 |
-9.58 |
-1.38 |
0 |
|
|
158561 |
56464178 |
1 |
N2S2O6C17H26 |
A2B2C6D17E26 |
-236.66 |
7.24 |
-9.48 |
-0.8 |
0 |
|
|
158562 |
56464179 |
2 |
NSO3C8H12 |
ABC3D8E12 |
-236.45 |
8.69 |
-9.29 |
-0.57 |
0 |
|
|
158563 |
56464180 |
1 |
N2S2O4C21H26 |
A2B2C4D21E26 |
-136.72 |
7.6 |
-9.07 |
-0.67 |
0 |
|
|
158564 |
56464183 |
1 |
S2N3O6C19H21 |
A2B3C6D19E21 |
-182.07 |
4.63 |
-8.57 |
-1.25 |
0 |
|
|
158565 |
56464190 |
1 |
FSN3O6H16C20 |
ABC3D6E16F20 |
-213.99 |
13.49 |
-9.09 |
-1.32 |
0 |
|
|
158566 |
56464194 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-59.17 |
3.96 |
-8.73 |
-0.81 |
0 |
|
|
158567 |
56464195 |
1 |
BrOSN2C17H21 |
ABCD2E17F21 |
-14.44 |
4.19 |
-9.33 |
-0.67 |
0 |
|
|
158568 |
56464196 |
1 |
OS2N3C19H27 |
AB2C3D19E27 |
-17.53 |
3.28 |
-8.96 |
-0.8 |
0 |
|
|
158569 |
56464198 |
1 |
S2N4O4C19H32 |
A2B4C4D19E32 |
-169.13 |
1.5 |
-9.3 |
-0.68 |
0 |
|
|
158570 |
56464199 |
1 |
OSN3C20H29 |
ABC3D20E29 |
-29.91 |
4.67 |
-8.08 |
-0.76 |
0 |
|
|
158571 |
56464200 |
1 |
OSN3C21H31 |
ABC3D21E31 |
-34.54 |
3.19 |
-8.46 |
-0.84 |
0 |
|
|
158572 |
56464203 |
1 |
OSN3C21H29 |
ABC3D21E29 |
-15.23 |
2.69 |
-8.87 |
-0.65 |
0 |
|
|
158573 |
56464205 |
1 |
OSN4C19H28 |
ABC4D19E28 |
-25.74 |
4.82 |
-8.43 |
-0.81 |
0 |
|
|
158574 |
56464206 |
1 |
ClSN3O4C19H20 |
ABC3D4E19F20 |
-135.62 |
12.36 |
-8.6 |
-0.59 |
0 |
|
|
158575 |
56464208 |
1 |
BrSN3O4C17H22 |
ABC3D4E17F22 |
-144.38 |
4.7 |
-9.24 |
-1.02 |
0 |
|
|
158576 |
56464210 |
1 |
N3O5C21H31 |
A3B5C21D31 |
-190.6 |
5.93 |
-8.55 |
-0.07 |
0 |
|
|
158577 |
56464211 |
1 |
ClN3O4C20H26 |
AB3C4D20E26 |
-159.64 |
4.85 |
-9.02 |
-0.2 |
0 |
|
|
158578 |
56464213 |
1 |
OSN4C24H36 |
ABC4D24E36 |
-23.9 |
2.61 |
-8.66 |
-0.91 |
0 |
|
|
158579 |
56464216 |
1 |
O3N6C22H34 |
A3B6C22D34 |
-57.82 |
4.09 |
-8.55 |
-0.17 |
0 |
|
|
158580 |
56464218 |
1 |
OCl2N4C22H24 |
AB2C4D22E24 |
6.51 |
1.73 |
-8.35 |
-0.94 |
0 |
|
|
158581 |
56464221 |
1 |
O2N5C24H39 |
A2B5C24D39 |
-97.21 |
4.2 |
-8.4 |
0.3 |
0 |
|
|
158582 |
56464224 |
2 |
ON2C12H16 |
AB2C12D16 |
-50.06 |
5.05 |
-8.23 |
-0.34 |
0 |
|
|
158583 |
56464230 |
1 |
SO2N9C19H25 |
AB2C9D19E25 |
12.13 |
5.11 |
-8.78 |
-0.95 |
0 |
|
|
158584 |
56464233 |
1 |
FO2N3C22H22 |
AB2C3D22E22 |
-87.45 |
5.48 |
-8.24 |
-0.61 |
0 |
|
|
158585 |
56464236 |
1 |
SN3O4C24H25 |
AB3C4D24E25 |
-122.52 |
5.72 |
-8.52 |
-0.67 |
0 |
|
|
158586 |
56464238 |
1 |
SO4N5C22H31 |
AB4C5D22E31 |
-83.52 |
2.89 |
-7.9 |
-0.45 |
0 |
|
|
158587 |
56464244 |
1 |
SN5O6C22H23 |
AB5C6D22E23 |
-45.53 |
3.83 |
-9.48 |
-1.96 |
0 |
|
|
158588 |
56464248 |
1 |
SN4O6C24H26 |
AB4C6D24E26 |
-116.8 |
7.16 |
-9.04 |
-0.94 |
0 |