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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401569 135051664 1 BrN3O3H18C19 AB3C3D18E19 -11.84 5.62 -8.62 -0.94 0
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401570 135051668 1 NOF3C10H10 ABC3D10E10 -137.14 3.07 -9.39 -0.61 0
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401571 135051671 1 SeO2H10C11 AB2C10D11 -60.43 4.4 -8.77 -0.59 0
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401572 135051672 2 NC8H9 AB8C9 80.98 2.75 -8.44 0.08 0
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401573 135051673 1 SH20C23 AB20C23 56.11 1.99 -8.3 -0.5 0
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401574 135051674 2 SH8C13 AB8C13 123.05 1.24 -8.6 -1.01 0
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401575 135051675 1 SN2O2H14C16 AB2C2D14E16 36.8 0.57 -8.54 -0.78 0
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401576 135051676 1 OSeH12C16 ABC12D16 19.79 2.56 -8.51 -0.94 0
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401577 135051678 1 FeOPC12H13 ABCD12E13 118.87 10.6 -7.64 -0.08 0
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401578 135051680 1 SiN2O3C15H22 AB2C3D15E22 -123.34 3.56 -8.57 -0.23 0
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401579 135051681 1 NO6H17C18 AB6C17D18 -114.87 5.29 -9.57 -1.45 0
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401580 135051683 1 N2H20C21 A2B20C21 91.36 1.74 -8.13 -0.04 0
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401581 135051685 1 SeO2C12H12 AB2C12D12 -65.69 4.29 -8.75 -0.52 0
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401582 135051692 1 NF3O4H24C25 AB3C4D24E25 -237.67 3.64 -8.75 -0.46 0
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401583 135051694 1 NPO2C30H30 ABC2D30E30 -16.41 4.77 -8.98 -0.28 0
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401585 135051713 1 SiC13H20 AB13C20 -20.91 0.85 -9.05 0.53 0
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401586 135051736 1 NSO2H17C20 ABC2D17E20 16.35 7.36 -9.12 -0.9 0
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401587 135051746 1 N3O4C19H21 A3B4C19D21 -7.8 8.9 -9.04 -1.15 0
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401588 135051756 1 BrNO2C13H14 ABC2D13E14 -51.42 5.08 -8.98 -0.42 0
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401589 135051760 2 SeN2O4H7C12 AB2C4D7E12 81.87 0.73 -9.64 -2.99 0
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401590 135051762 1 INO2C15H18 ABC2D15E18 -53.82 4.38 -8.79 -1.0 0
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401591 135051763 1 NOSeH21C27 ABCD21E27 53.56 2.92 -8.29 -0.5 0
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401592 135051765 1 NSF2O2C18H19 ABC2D2E18F19 -130.89 5.83 -9.31 -0.8 0
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401593 135051769 1 ClNO3H18C25 ABC3D18E25 55.88 6.42 -9.45 -1.29 0
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401594 135051770 1 NS2O4C20H27 AB2C4D20E27 -140.44 9.64 -8.32 -0.86 0
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401595 135051771 1 NS2O4C20H27 AB2C4D20E27 -138.71 6.75 -8.46 -0.38 0
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401596 135051779 1 NPO2C8H9 ABC2D8E9 34.95 8.06 0.0 0.0 0
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401597 135051791 1 NSO2H17C19 ABC2D17E19 -13.07 5.11 -8.3 -0.68 0
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401598 135051795 1 SO4C17H20 AB4C17D20 -148.8 6.44 -8.49 -0.54 0
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401599 135051796 1 NSH11C17 ABC11D17 112.52 4.05 -8.78 -0.69 0
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401600 135051798 1 FeP2C16H25 AB2C16D25 18.41 2.92 0.0 0.0 0
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401601 135051810 1 ClN3O5C18H24 AB3C5D18E24 -187.62 6.37 -8.45 -0.08 0
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401602 135051814 1 S2H12C17 A2B12C17 75.44 1.39 -8.54 -0.44 0
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401603 135051815 1 SO2H16C20 AB2C16D20 -19.24 5.89 -8.98 -0.63 0
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401604 135051816 1 N2O3H16C17 A2B3C16D17 -39.51 3.82 -8.25 -0.49 0
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401605 135051817 1 NPO3H22C25 ABC3D22E25 -29.27 2.22 -8.39 -0.61 0
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401606 135051818 1 NOC13H15 ABC13D15 7.33 3.14 -9.6 -0.44 0
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401607 135051821 1 LiNSO3H12C13 ABCD3E12F13 -90.83 4.34 -8.11 -0.4 0
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401608 135051822 1 NO4H25C32 AB4C25D32 55.27 6.77 -8.99 -0.84 0
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401609 135051823 1 ClNS2O3C19H24 ABC2D3E19F24 -108.36 8.32 -8.47 -0.82 0
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401610 135051824 1 ClNS2O3C19H24 ABC2D3E19F24 -104.33 4.78 -8.3 -0.53 0
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401611 135051825 1 NOSiC18H23 ABCD18E23 -46.39 3.21 -8.64 0.07 0
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401612 135051827 1 SeO2H14C16 AB2C14D16 -22.56 4.2 -8.57 -0.69 0
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401613 135051829 1 SeN2O6H18C21 AB2C6D18E21 -87.38 1.85 -9.53 -1.6 0
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401615 135051834 1 O3C16H24 A3B16C24 -129.16 4.19 -9.44 0.0 0
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401616 135051837 1 NOH13C16 ABC13D16 53.14 2.03 -9.56 -0.58 1
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401617 135051842 1 OSeC9H9 ABC9D9 -9.5 1.44 0.0 0.0 0
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401618 135051843 1 OSeH14C17 ABC14D17 9.29 2.75 -8.43 -0.89 0
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401619 135051844 1 OSeH12C19 ABC12D19 45.99 2.46 -8.52 -1.02 0
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401620 135051845 1 OSeH12C19 ABC12D19 45.31 2.56 -8.54 -1.02 0
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401622 135051851 1 SiC13H20 AB13C20 -21.76 0.75 -9.08 0.55 0
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401623 135051854 1 INOH14C16 ABCD14E16 21.07 4.78 -8.76 -1.17 0
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401624 135051857 1 N2O5H14C18 A2B5C14D18 -37.78 5.89 -9.88 -1.54 0
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401625 135051861 1 SN3C10H13 AB3C10D13 42.59 5.79 -8.68 -0.82 0
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401626 135051863 1 SN3O3H5C8 AB3C3D5E8 12.38 0.77 -9.68 -1.68 0
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401627 135051864 1 BrN2O3H15C18 AB2C3D15E18 -6.29 3.99 -8.61 -1.29 0
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401628 135051893 1 N2O2H14C17 A2B2C14D17 9.31 4.55 -9.49 -1.24 0
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401629 135051903 1 O2Cl3N3H6C12 A2B3C3D6E12 6.7 4.13 -9.61 -1.42 0
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401630 135051909 1 O2N4H22C23 A2B4C22D23 67.86 6.98 -8.19 -1.16 0
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401631 135051911 1 ON4H18C22 AB4C18D22 122.17 7.82 -8.75 -0.84 0
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401632 135051914 1 N3O5C13H15 A3B5C13D15 -97.54 6.58 -9.31 -1.92 0
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401633 135051919 1 ClSN4O5C22H25 ABC4D5E22F25 -115.26 4.44 -9.45 -0.68 0
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401634 135051921 1 BrSO2N5H12C14 ABC2D5E12F14 77.19 3.37 -9.48 -0.84 1
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401635 135051925 1 OPC22H22 ABC22D22 40.48 10.83 0.0 0.0 0
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401636 135051929 1 N2O3C15H20 A2B3C15D20 -99.86 2.91 -10.15 -0.87 0
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401637 135051935 1 O3N4H14C16 A3B4C14D16 23.3 2.42 -9.34 -1.26 0
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401638 135051939 1 ON3C9H11 AB3C9D11 68.25 6.13 -8.63 -0.81 0
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401639 135051948 1 ClN3H8C10 AB3C8D10 93.41 1.49 -9.78 -1.44 0
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401640 135051951 1 O4N5H17C21 A4B5C17D21 78.24 7.01 -8.76 -1.93 0
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401641 135051955 1 N4O4H16C21 A4B4C16D21 85.73 4.69 -9.38 -1.72 0
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401642 135051970 1 BrS2N3C6H12 AB2C3D6E12 34.69 4.6 -7.52 -1.35 0
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401643 135051973 1 NSO5C14H17 ABC5D14E17 -91.59 6.39 -10.29 -1.22 0
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401644 135051974 1 NSO5H13C16 ABC5D13E16 -41.99 6.3 -9.51 -1.37 0
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401645 135051975 1 N2O5C25H30 A2B5C25D30 -176.75 2.56 -8.1 -0.51 0
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401646 135051976 1 N3O7C25H31 A3B7C25D31 -229.25 3.81 -8.05 -0.56 0