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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83452 49857608 1 O11H30C40 A11B30C40 -293.19 6.41 -8.74 -0.81 0
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83453 49857609 1 F3N3O3H22C30 A3B3C3D22E30 -141.96 4.83 -9.36 -1.25 0
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83454 49857610 1 S2N3O7H29C32 A2B3C7D29E32 -87.74 6.73 -9.59 -1.98 0
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83455 49857611 1 S2N3O9H19C28 A2B3C9D19E28 -146.15 12.27 -9.71 -1.85 0
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83456 49857613 1 S3N4O7H22C27 A3B4C7D22E27 -65.15 18.26 -9.23 -2.68 0
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83457 49857614 1 S2N4O7H30C32 A2B4C7D30E32 -75.11 15.61 -8.92 -1.67 0
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83458 49857615 1 N2O3C20H28 A2B3C20D28 -115.25 5.13 -8.96 -0.44 0
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83459 49857616 1 O2N3C26H35 A2B3C26D35 -34.14 5.65 -8.16 -0.25 0
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83460 49857617 1 O2N3C27H37 A2B3C27D37 -41.67 4.85 -8.15 -0.3 0
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83461 49857618 1 N3O3C23H35 A3B3C23D35 -116.99 7.3 -8.79 -0.51 0
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83462 49857620 1 SN2O2C21H32 AB2C2D21E32 -70.91 6.0 -8.4 -0.52 0
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83463 49857621 1 ClO2N6H15C19 AB2C6D15E19 81.18 3.34 -8.56 -1.47 0
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83464 49857622 1 O3N8H20C21 A3B8C20D21 49.89 5.87 -8.35 -1.2 0
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83465 49857623 1 ClO3N7C20H20 AB3C7D20E20 1.51 6.19 -8.4 -1.55 0
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83466 49857624 1 ClO3N6H21C22 AB3C6D21E22 -6.54 7.87 -8.25 -1.52 0
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83467 49857625 1 OF2N7C15H15 AB2C7D15E15 -26.17 9.76 -8.72 -1.72 0
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83468 49857629 1 N3O4H25C26 A3B4C25D26 -61.13 5.57 -8.88 -1.18 0
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83469 49857630 1 O3N4C27H28 A3B4C27D28 -11.71 7.82 -8.33 -0.84 0
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83470 49857631 1 N3O4H21C24 A3B4C21D24 -48.7 4.86 -8.97 -1.08 0
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83471 49857632 1 N3O5H21C24 A3B5C21D24 -82.27 7.28 -8.89 -1.28 0
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83472 49857633 1 NaO3C30H47 AB3C30D47 -241.4 4.88 -8.54 0.47 1
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83473 49857634 1 NO7C16H24 AB7C16D24 -274.09 3.38 0.0 0.0 1
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83474 49857635 1 N2O6C15H23 A2B6C15D23 -207.06 5.54 0.0 0.0 1
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83475 49857636 1 NO6C16H24 AB6C16D24 -242.21 16.04 0.0 0.0 0
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83476 49857637 2 FON2H9C10 ABC2D9E10 -91.22 5.56 -8.72 -0.33 0