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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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336623 127255630 1 NaSN2O5C20H23 ABC2D5E20F23 -209.84 5.85 -8.44 -0.58 0
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336624 127255631 1 FSN5O5C35H48 ABC5D5E35F48 -226.25 5.67 -8.73 -0.5 0
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336626 127255633 1 PN2O8C24H29 AB2C8D24E29 -338.9 2.78 -8.45 -0.36 0
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336627 127255634 1 O4C27H44 A4B27C44 -223.93 4.23 -8.51 0.32 0
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336628 127255635 1 I2O2N5H23C27 A2B2C5D23E27 160.92 35.07 -5.0 -3.24 2
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336629 127255636 1 O2N5H23C27 A2B5C23D27 141.03 5.39 -4.52 -2.62 0
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336630 127255637 1 O3C27H44 A3B27C44 -181.16 1.54 -8.65 0.22 0
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336632 127255639 1 ClN3O8C31H46 AB3C8D31E46 -334.81 6.9 -8.58 -0.47 0
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336633 127255640 1 N6O10C49H78 A6B10C49D78 -463.87 3.78 -8.55 -1.53 0
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336634 127255641 1 ClN3O8C31H44 AB3C8D31E44 -300.48 6.7 -8.85 -1.56 0
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336635 127255642 1 N2O3C33H46 A2B3C33D46 -90.09 11.56 -9.46 -1.35 0
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336636 127255643 1 OCl2N3C18H19 AB2C3D18E19 27.42 5.06 -8.84 -0.86 0
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336637 127255644 1 CaP2N10O16C36H48 AB2C10D16E36F48 -651.1 9.56 -4.88 -1.3 0
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336638 127255645 1 CaNNaP2C5O7H13 ABCD2E5F7G13 -466.01 6.99 0.0 0.0 0
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336639 127255646 1 NaP2N7O16C19H27 AB2C7D16E19F27 -746.37 12.62 0.0 0.0 0
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336640 127255647 2 MgPC3H5O6 ABC3D5E6 -614.82 20.1 -9.45 -4.1 0
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336641 127255648 1 SrP2C6O12H14 AB2C6D12E14 -957.51 4.82 -9.67 -0.58 0
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336642 127255649 1 N2O2C5H8 A2B2C5D8 -78.44 4.02 -10.34 0.5 0
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336643 127255650 1 N2O4H16C17 A2B4C16D17 -96.07 5.43 -8.52 -0.77 0
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336644 127255651 1 ClN2O4C15H19 AB2C4D15E19 -193.19 4.72 -9.85 -1.71 0
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336645 127255652 1 N2O4C15H18 A2B4C15D18 -155.74 5.1 -9.6 -1.62 0
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336646 127255653 1 ClN2O3C11H19 AB2C3D11E19 -161.62 1.31 -9.29 -0.2 0
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336647 127255654 1 N2O3C11H18 A2B3C11D18 -130.44 3.51 -9.19 -0.19 0
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336648 127255655 1 ClN2O3C12H25 AB2C3D12E25 -210.1 5.59 -9.59 0.86 0
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336649 127255656 1 ClNO2C10H20 ABC2D10E20 -158.13 1.28 -9.18 0.76 0
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336650 127255657 1 BNO6C16H28 ABC6D16E28 -382.9 6.69 -9.74 0.25 0
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336651 127255658 1 BrClNC11H15 ABCD11E15 -21.27 5.77 -9.6 -0.35 0
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336652 127255659 2 NO2C5H6 AB2C5D6 -73.25 4.64 -10.93 -1.92 0
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336653 127255660 1 BN3O4C22H36 AB3C4D22E36 -255.06 3.86 -9.25 0.65 0
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336654 127255661 1 BN3O4C22H36 AB3C4D22E36 -252.6 1.92 -9.26 0.68 0
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336655 127255662 1 BrFNO2C11H11 ABCD2E11F11 -111.44 5.56 -9.86 -0.67 0
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336656 127255663 1 BrClN2O2C12H18 ABC2D2E12F18 -126.37 2.69 -10.09 -1.03 0
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336657 127255664 1 BrSN2O3H7C8 ABC2D3E7F8 -61.66 2.37 -9.6 -1.36 0
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336658 127255665 1 SO3C7H8 AB3C7D8 -108.21 3.34 -9.53 -1.23 0
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336659 127255666 1 ClNOC10H16 ABCD10E16 -68.59 0.92 -9.7 -0.05 0
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336660 127255667 1 NC19H21 AB19C21 110.37 1.22 -8.78 0.2 0
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336661 127255668 1 OCl2H14C16 AB2C14D16 -23.16 4.17 -9.29 -0.38 0
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336662 127255669 1 BrNH8C10 ABC8D10 45.64 4.08 -9.84 -1.08 0
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336663 127255670 1 BrO3C11H11 AB3C11D11 -87.67 5.93 -8.8 -0.7 0
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336664 127255671 1 BrOH9C10 ABC9D10 -8.94 3.47 -8.88 -0.47 0
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336665 127255672 1 BrSH9C10 ABC9D10 23.04 3.24 -8.67 -0.58 0
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336667 127255674 1 ClFNOC7H9 ABCDE7F9 -102.86 4.7 -9.56 -0.34 0
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336668 127255675 1 BrNO5C8H18 ABC5D8E18 -250.75 2.96 -9.63 0.32 0
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336669 127255676 1 ClO7N8C25H41 AB7C8D25E41 -287.46 5.48 -9.59 -1.37 0
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336670 127255677 1 BFNO2H13C18 ABCD2E13F18 -119.6 5.19 -8.56 -0.64 0
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336671 127255678 1 OBr2H6C9 AB2C6D9 -9.81 1.58 -10.03 -1.18 0
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336672 127255679 1 OBr2H6C9 AB2C6D9 -7.8 5.01 -9.76 -1.08 0
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336673 127255680 1 ClIOH6C9 ABCD6E9 -4.65 1.52 -9.8 -1.37 0
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336674 127255681 1 ClIOH6C9 ABCD6E9 -8.05 2.5 -9.65 -1.27 0
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336675 127255682 1 ClIOH6C9 ABCD6E9 -5.93 2.8 -9.55 -1.18 0
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336676 127255683 1 ClIOH6C9 ABCD6E9 -5.77 3.44 -9.62 -1.28 0
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336677 127255684 1 ClIOH6C9 ABCD6E9 -6.91 3.56 -9.76 -1.22 0
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336678 127255685 1 ClIOH6C9 ABCD6E9 -2.07 4.75 -9.53 -1.19 0
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336679 127255686 1 FIOH6C9 ABCD6E9 -44.09 1.43 -9.81 -1.33 0
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336680 127255687 1 FIOH6C9 ABCD6E9 -44.99 2.47 -9.69 -1.26 0
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336681 127255688 1 FIOH6C9 ABCD6E9 -42.94 2.78 -9.6 -1.15 0
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336682 127255689 1 FIOH6C9 ABCD6E9 -45.45 3.59 -9.79 -1.22 0
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336683 127255690 1 FIOH6C9 ABCD6E9 -42.53 4.72 -9.59 -1.16 0
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336684 127255691 1 BrIOH6C9 ABCD6E9 5.15 1.59 -9.84 -1.41 0
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336685 127255692 1 BrIOH6C9 ABCD6E9 5.29 2.88 -9.62 -1.23 0
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336686 127255693 1 BrIOH6C9 ABCD6E9 8.26 4.75 -9.46 -1.23 0
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336687 127255694 1 ClIOH6C9 ABCD6E9 -9.02 3.1 -9.72 -1.36 0
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336688 127255695 1 ClIOH6C9 ABCD6E9 -8.69 3.43 -9.61 -1.28 0
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336689 127255696 1 ClIOH6C9 ABCD6E9 -7.53 3.88 -9.86 -1.34 0
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336690 127255697 1 ClIOH6C9 ABCD6E9 -4.51 4.9 -9.54 -1.22 0
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336691 127255698 1 FIOH6C9 ABCD6E9 -47.91 1.97 -9.82 -1.33 0
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336692 127255699 1 FIOH6C9 ABCD6E9 -46.45 3.05 -9.82 -1.35 0
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336693 127255700 1 FIOH6C9 ABCD6E9 -47.17 3.76 -9.76 -1.3 0
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336694 127255701 1 FIOH6C9 ABCD6E9 -44.71 3.83 -9.75 -1.33 0
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336695 127255702 1 FIOH6C9 ABCD6E9 -45.87 4.18 -9.94 -1.38 0
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336696 127255703 1 FIOH6C9 ABCD6E9 -45.23 5.23 -9.62 -1.22 0
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336697 127255704 1 BrIOH6C9 ABCD6E9 4.41 1.88 -9.84 -1.4 0
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336698 127255705 1 BrIOH6C9 ABCD6E9 5.73 3.75 -9.77 -1.41 0
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336699 127255706 1 BrIOH6C9 ABCD6E9 6.69 4.93 -9.6 -1.25 0
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336700 127255707 1 IOH9C10 ABC9D10 -8.21 3.52 -9.6 -1.06 0
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336701 127255708 1 IOH9C10 ABC9D10 -9.03 4.87 -9.39 -0.96 0
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336702 127255709 1 IOH9C10 ABC9D10 -6.44 5.31 -9.29 -0.86 0
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336703 127255710 1 IOH9C10 ABC9D10 -8.53 5.3 -9.48 -0.89 0
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336704 127255711 1 IOH9C10 ABC9D10 -5.9 4.39 -9.32 -0.86 0
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336705 127255712 1 FOC11H11 ABC11D11 -77.52 3.44 -9.91 -0.67 0
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336706 127255713 1 FOC11H11 ABC11D11 -76.99 4.88 -9.64 -0.79 0
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336707 127255714 1 FOC11H11 ABC11D11 -76.47 5.6 -9.67 -0.69 0
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336708 127255715 1 ClOC11H11 ABC11D11 -39.75 3.4 -9.75 -0.79 0
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336709 127255716 1 ClOC11H11 ABC11D11 -39.3 4.95 -9.48 -0.79 0
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336710 127255717 1 ClOC11H11 ABC11D11 -38.22 5.44 -9.42 -0.71 0
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336711 127255718 1 BrOC11H11 ABC11D11 -26.05 5.45 -9.51 -0.74 0
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336712 127255719 1 IOC11H11 ABC11D11 -14.47 4.61 -9.39 -0.93 0
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336713 127255720 1 BrO2H9C10 AB2C9D10 -47.94 3.75 -9.3 -0.94 0
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336714 127255721 1 BrO2H9C10 AB2C9D10 -52.11 5.02 -9.25 -0.91 0
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336715 127255722 1 IO2H9C10 AB2C9D10 -34.4 3.89 -9.18 -0.98 0
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336716 127255723 1 IO2H9C10 AB2C9D10 -37.74 4.94 -9.2 -1.05 0
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336717 127255724 1 IO2H9C10 AB2C9D10 -40.12 6.57 -9.46 -0.95 0
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336718 127255725 1 IO2H9C10 AB2C9D10 -34.78 5.4 -8.95 -0.83 0
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336719 127255726 1 FNOH8C9 ABCD8E9 -62.64 3.87 -8.97 -0.74 0
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336720 127255727 1 FNOH8C9 ABCD8E9 -64.94 5.5 -8.97 -0.79 0
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336721 127255728 1 FNOH8C9 ABCD8E9 -62.58 5.86 -8.87 -0.78 0
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336722 127255729 1 FNOH8C9 ABCD8E9 -65.51 5.65 -8.92 -0.56 0
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336723 127255730 1 FNOH8C9 ABCD8E9 -70.49 7.04 -9.1 -0.33 0
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336724 127255731 1 FNOH8C9 ABCD8E9 -61.44 4.75 -8.77 -0.74 0
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336725 127255732 1 ClNOH8C9 ABCD8E9 -25.94 3.95 -8.91 -0.83 0