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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168562 74989457 1 BrON3C13H14 ABC3D13E14 17.32 6.63 -9.51 -0.22 1
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168563 74989510 1 OCl2N2C20H27 AB2C2D20E27 -31.02 4.92 0.0 0.0 -4
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168564 74989511 1 PN8O14C30H37 AB8C14D30E37 -418.95 13.99 -9.42 -1.88 0
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168565 74989512 1 PN8O14C30H41 AB8C14D30E41 -622.35 7.05 -8.7 -1.39 0
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168566 74989513 1 ClS3O6N8C16H17 AB3C6D8E16F17 -114.61 7.74 -9.25 -1.36 0
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168567 74989514 1 S3O5N9H15C16 A3B5C9D15E16 -38.48 2.34 -8.98 -1.0 1
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168568 74989515 1 OCl2N3C22H26 AB2C3D22E26 13.14 7.0 0.0 0.0 0
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168569 74989516 1 PN3O11C23H34 AB3C11D23E34 -499.13 6.35 -8.98 -0.59 0
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168570 74989517 1 ClO2N3H12C16 AB2C3D12E16 38.21 5.39 -9.07 -0.77 0
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168571 74989518 1 Cl4O4N5C38H49 A4B4C5D38E49 -141.72 9.84 -8.48 -0.97 0
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168572 74989519 1 O9C25H28 A9B25C28 -316.44 0.93 -8.65 -0.31 0
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168573 74989520 1 FO8C24H27 AB8C24D27 -317.75 4.72 -8.81 -0.41 0
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168574 74989521 1 N3O3H15C17 A3B3C15D17 5.59 6.76 -8.94 -0.68 0
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168575 74989522 1 O2N3H15C17 A2B3C15D17 33.39 3.61 -8.84 -0.99 0
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168576 74989523 1 O9C25H30 A9B25C30 -311.04 4.27 -8.85 -0.31 0
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168577 74989600 1 N3O5C24H35 A3B5C24D35 -240.48 3.26 -9.39 -0.5 0
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168578 74989771 1 NS2O5H21C22 AB2C5D21E22 -142.8 1.86 -9.18 -1.82 0
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168579 74989772 1 O10N22C69H86 A10B22C69D86 -257.59 10.12 -8.69 -0.28 0
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168580 74989812 1 O22N23C95H133 A22B23C95D133 -907.4 17.92 -8.56 -0.26 0
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168581 74990185 1 NNaSO8H14C16 ABCD8E14F16 -335.89 12.81 -8.86 -0.98 0
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168582 74990186 1 NSO8H15C16 ABC8D15E16 -272.73 5.21 -9.35 -1.07 0
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168583 74990684 1 N4O4C23H30 A4B4C23D30 -116.77 7.11 -9.31 -0.34 0
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168584 74990967 1 N4O5C14H20 A4B5C14D20 -146.88 3.46 -10.04 -1.13 0
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168585 74990968 1 S2O4N5H17C18 A2B4C5D17E18 -42.59 1.53 -9.23 -1.4 0
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168586 74990974 1 S2N9O9C45H57 A2B9C9D45E57 -276.73 13.43 -8.63 -2.03 0