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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218507 85089546 1 N4O5C26H26 A4B5C26D26 -73.13 5.91 -9.65 -0.55 0
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218508 85089547 1 O6C29H30 A6B29C30 -206.07 4.56 -9.5 -0.57 0
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218509 85089548 1 O6C29H30 A6B29C30 -152.87 3.21 -9.1 0.09 0
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218510 85089549 2 O3C14H21 A3B14C21 -277.02 7.1 -9.13 0.25 0
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218511 85089552 1 SiO2C30H54 AB2C30D54 -185.28 2.67 -8.71 0.27 0
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218512 85089553 1 ClO7C25H27 AB7C25D27 -244.96 9.25 -8.94 -1.51 0
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218513 85089554 1 ClN2O4H23C27 AB2C4D23E27 -45.6 5.52 -8.88 -0.83 0
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218514 85089555 1 F2N3O5C24H27 A2B3C5D24E27 -274.55 2.71 -9.72 -1.16 0
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218515 85089556 1 FNO7C25H30 ABC7D25E30 -285.45 5.57 -9.9 -1.1 0
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218516 85089557 1 NO6C28H29 AB6C28D29 -146.07 2.45 -8.9 -0.25 0
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218517 85089559 1 O4N5C26H29 A4B5C26D29 -112.52 1.93 -8.67 -0.25 1
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218518 85089563 1 BrClFSN2O4H14C17 ABCDE2F4G14H17 -158.38 3.23 0.0 0.0 0
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218519 85089564 1 ClNS2O6C20H26 ABC2D6E20F26 -226.67 2.17 -8.71 -0.78 0
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218520 85089565 1 SN4O9H18C19 AB4C9D18E19 -299.75 9.05 -9.98 -1.02 0
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218521 85089566 1 F3O8C22H27 A3B8C22D27 -492.19 9.56 -10.25 -0.57 0
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218522 85089567 1 FN4O5H21C25 AB4C5D21E25 -137.94 5.66 -8.56 -0.85 0
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218523 85089569 2 O4C13H18 A4B13C18 -366.56 3.18 -9.52 0.19 0
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218524 85089570 1 S2O7C23H24 A2B7C23D24 -217.09 4.15 -8.84 -0.77 0
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218525 85089572 1 N4O5C25H40 A4B5C25D40 -236.97 4.84 -8.61 -0.35 0
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218526 85089573 1 O3N4C28H36 A3B4C28D36 -107.26 5.01 -8.24 -0.18 0
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218527 85089574 1 N2O3C30H40 A2B3C30D40 -110.37 4.81 -8.32 -0.27 0
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218528 85089575 1 O3C32H44 A3B32C44 -141.98 3.15 -8.65 -0.13 0
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218529 85089578 1 ClSF3N4O4H16C18 ABC3D4E4F16G18 -182.75 6.1 -9.06 -2.57 0
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218530 85089579 1 ClN4O5H17C24 AB4C5D17E24 -6.77 12.61 -8.72 -2.2 0
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218531 85089580 1 ClSN2O5C23H25 ABC2D5E23F25 -163.66 4.65 -8.77 -0.66 0