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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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10619 105765 1 OC15H30 AB15C30 -102.93 1.47 -9.52 2.38 0
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10620 105766 1 NC18H23 AB18C23 32.75 4.62 -8.16 0.31 0
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10621 105767 1 O2C13H18 A2B13C18 -72.73 2.92 -8.7 0.02 0
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10622 105769 1 O2C19H30 A2B19C30 -93.63 3.29 -9.17 0.46 0
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10623 105770 1 PN3O3C15H26 AB3C3D15E26 -134.99 2.05 -9.26 -0.77 0
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10624 105771 1 N2O5C28H52 A2B5C28D52 -270.85 1.82 -8.79 -0.03 0
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10625 105772 1 O4C17H18 A4B17C18 -118.37 3.71 -8.8 -0.79 0
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10626 105773 1 ZnCl4O8N12H24C28 AB4C8D12E24F28 184.49 9.31 -8.45 -3.25 2
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10627 105774 1 ZnCl4O4N6H12C14 AB4C4D6E12F14 88.67 19.83 -8.41 -3.37 0
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10628 105775 1 O2N3H6C7 A2B3C6D7 68.12 5.37 0.0 0.0 1
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10629 105780 1 NCl4O4H11C12 AB4C4D11E12 -172.19 4.48 -10.03 -1.75 0
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10630 105787 1 NPO4C16H38 ABC4D16E38 -311.08 3.5 -8.56 0.74 0
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10631 105807 1 SCl3N4O4H11C16 AB3C4D4E11F16 -49.25 8.76 -9.57 -1.68 0
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10633 105809 1 O4N5C18H18 A4B5C18D18 -2.77 2.06 0.0 0.0 1
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10634 105814 1 Cl2N3O3C15H15 A2B3C3D15E15 -64.63 2.85 -8.8 -0.99 0
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10635 105815 1 N3O3H14C15 A3B3C14D15 -10.55 9.52 0.0 0.0 1
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10636 105824 1 CuN3S4O15H19C21 AB3C4D15E19F21 -447.74 7.24 0.0 0.0 0
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10637 105839 1 SiN3C18H39 AB3C18D39 -48.18 3.38 -9.45 0.07 0
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10638 105882 1 SnS2O4C16H32 AB2C4D16E32 -251.34 3.81 -9.0 -0.83 -2
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10639 105910 1 SN4O6C22H22 AB4C6D22E22 -77.68 11.08 -8.47 -1.45 0
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10640 105948 1 SN4O5H18C20 AB4C5D18E20 -142.23 3.73 -8.51 -0.8 0
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10641 105979 1 ClSN2O4H13C17 ABC2D4E13F17 -74.12 5.47 -9.05 -1.57 0
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10642 106023 1 SN4O8C26H28 AB4C8D26E28 -267.79 3.66 -8.29 -2.26 0
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10643 106025 2 NO2H8C11 AB2C8D11 -87.25 4.78 -8.2 -1.71 0
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10644 106029 1 SnS3O6C19H36 AB3C6D19E36 -358.45 3.9 -9.14 -1.39 0
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10646 106037 1 AlO3C42H87 AB3C42D87 -212.22 11.43 -7.4 0.38 0
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10647 106040 1 NO2Cl4C16H17 AB2C4D16E17 -101.57 0.57 -10.12 -2.08 0
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10648 106043 1 NO3Cl4C20H27 AB3C4D20E27 -174.27 5.4 -9.61 -1.57 0
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10649 106057 1 S2N3O8H19C22 A2B3C8D19E22 -242.53 4.31 -8.85 -2.32 0
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10650 106061 1 SN3O5H21C23 AB3C5D21E23 -115.93 2.69 -8.15 -2.16 0
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10651 106062 1 N3H5O10C14 A3B5C10D14 -69.89 11.17 -10.24 -3.79 0
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10652 106070 2 OC9H15 AB9C15 -116.51 2.06 -8.6 0.36 0
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10653 106076 2 N3O4H10C11 A3B4C10D11 -209.69 7.01 -9.16 -1.6 0
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10654 106105 1 NaSN4O5H17C23 ABC4D5E17F23 -1.97 39.82 -7.89 -1.69 0
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10655 106122 1 NC56H116 AB56C116 -231.33 1.16 0.0 0.0 1
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10656 106199 1 O2N3C13H17 A2B3C13D17 -36.94 7.32 -8.07 0.03 0
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10657 106227 1 N3C12H29 A3B12C29 -26.6 3.05 -8.53 2.62 0
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10659 106232 1 N2S3O6H12C14 A2B3C6D12E14 -185.09 7.83 -8.9 -1.81 0
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10660 106238 1 NPO7C18H42 ABC7D18E42 -436.6 3.48 -8.96 0.6 0
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10661 106251 1 O2C9H18 A2B9C18 -123.16 2.62 -9.74 1.9 0
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10662 106262 1 S3N6O11H26C31 A3B6C11D26E31 -248.31 12.37 -9.02 -1.99 0
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10663 106316 1 NC7H15 AB7C15 5.32 1.46 -8.7 2.62 0
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10664 106400 1 PdK2N2O8C10H12 AB2C2D8E10F12 -390.77 5.01 -8.14 -0.52 0
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10665 106440 1 OC15H24 AB15C24 -65.55 1.52 -8.56 0.61 0
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10666 106442 1 OC11H16 AB11C16 -41.45 1.48 -9.38 0.38 0
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10667 106443 1 ON2C7H10 AB2C7D10 -8.68 1.68 -9.3 -0.48 0
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10668 106465 1 ClO2C14H21 AB2C14D21 -95.72 1.79 -8.39 -0.17 0
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10670 106476 1 NO4C12H15 AB4C12D15 -116.72 1.44 -8.47 -0.57 0
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10671 106484 1 BrO6N7H18C19 AB6C7D18E19 26.67 6.85 -8.46 -2.41 0
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10672 106504 1 N3O6H17C21 A3B6C17D21 -151.44 4.81 -9.88 -1.52 0
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10673 106515 1 N3O7C28H51 A3B7C28D51 -351.57 6.62 -8.81 -0.85 0
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10674 106545 1 S2N3O8H17C18 A2B3C8D17E18 -219.93 7.65 -8.7 -1.71 0
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10675 106554 1 S4N5O17H27C34 A4B5C17D27E34 -494.27 7.09 -9.07 -2.41 0
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10676 106579 1 SiN2O3C17H30 AB2C3D17E30 -182.96 3.46 -8.71 0.14 0
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10677 106580 2 N2O3H9C10 A2B3C9D10 -170.14 6.61 -9.24 -0.62 0
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10678 106590 1 NC10H17 AB10C17 1.18 1.34 -8.48 1.19 0
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10679 106591 1 ClON3H12C16 ABC3D12E16 56.45 2.72 -8.3 -0.96 0
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10680 106599 2 NO2C6H7 AB2C6D7 -49.65 6.97 -8.62 -1.04 0
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10681 106600 1 O2C15H22 A2B15C22 -99.68 2.94 -9.78 -0.49 0
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10682 106615 1 PS4N5O15H18C22 AB4C5D15E18F22 -488.89 9.86 -9.19 -2.57 0
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10683 106616 1 ClN4O6H23C27 AB4C6D23E27 -116.01 6.58 -8.16 -1.64 0
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10684 106668 1 Cl2N2O2C13H16 A2B2C2D13E16 -95.3 2.68 -8.62 -0.52 0
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10685 106684 1 OC14H24 AB14C24 -69.37 3.53 -9.37 0.42 0
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10686 106690 1 NCl2C7H15 AB2C7D15 -64.6 3.02 -8.71 0.49 0
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10687 106699 1 OC15H20 AB15C20 -39.08 3.08 -9.07 0.32 0
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10688 106724 1 SO5C7H14 AB5C7D14 -232.18 4.58 -11.46 -0.45 0
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10689 106732 2 OC14H23 AB14C23 -114.35 2.47 -8.92 0.67 0
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10690 106733 2 OC6H11 AB6C11 -138.36 1.84 -10.41 0.93 0
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10691 106734 1 NC13H15 AB13C15 28.02 1.48 -9.03 -0.56 0
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10692 106740 1 NO3C21H29 AB3C21D29 -120.19 3.08 -9.04 -0.48 0
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10693 106742 1 OC9H16 AB9C16 -66.56 2.25 -9.32 1.38 0
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10694 106761 1 NOC9H13 ABC9D13 -34.34 0.31 -9.76 0.0 0
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10695 106769 1 OC12H18 AB12C18 -55.37 2.52 -9.14 0.56 0
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10696 106800 1 O2C17H28 A2B17C28 -130.16 2.29 -10.28 0.98 0
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10697 106875 1 NC13H17 AB13C17 17.94 4.26 -9.3 0.22 0