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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413664 135086613 1 NO2F3H14C16 AB2C3D14E16 -168.33 6.01 -8.75 -0.58 0
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413665 135086614 1 NF3H12C15 AB3C12D15 -97.57 5.28 -9.22 -0.84 0
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413666 135086615 1 ClNOPSH15C18 ABCDEF15G18 5.72 2.61 -9.47 -0.88 0
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413667 135086616 1 BrFSN2O2H14C18 ABCD2E2F14G18 -56.26 7.83 -9.03 -0.87 0
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413668 135086617 1 O2N4H12C13 A2B4C12D13 54.0 3.57 -10.34 -1.19 0
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413669 135086618 1 O2N3C13H15 A2B3C13D15 11.06 2.65 -9.64 -0.37 0
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413670 135086619 1 Cl2N2H8C9 A2B2C8D9 34.53 3.93 -9.7 -1.2 1
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413671 135086620 1 ON4C13H13 AB4C13D13 88.32 3.03 0.0 0.0 1
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413672 135086621 1 N4H11C12 A4B11C12 130.89 2.59 0.0 0.0 1
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413673 135086622 1 FN4H10C12 AB4C10D12 83.45 1.43 0.0 0.0 0
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413674 135086623 1 OCl3C12H19 AB3C12D19 -79.49 2.71 -10.14 -0.86 0
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413675 135086624 1 NO6C16H21 AB6C16D21 -243.88 1.64 -9.13 -0.91 0
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413676 135086625 2 O3H9C10 A3B9C10 -171.62 3.55 -8.92 -0.76 0
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413677 135086626 1 BrN2C13H15 AB2C13D15 35.34 7.96 -8.41 -0.62 0
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413678 135086627 1 N2O3H18C20 A2B3C18D20 11.09 2.12 -9.26 -1.65 0
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413679 135086628 1 N2O2C17H24 A2B2C17D24 -49.48 7.6 -8.0 -0.3 0
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413680 135086629 1 NO3C16H17 AB3C16D17 -78.14 5.14 -8.79 -0.78 0
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413681 135086630 1 NO3H19C21 AB3C19D21 -52.26 2.25 -8.8 -0.85 0
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413682 135086631 2 NC12H17 AB12C17 47.45 2.32 -7.99 -0.37 0
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413683 135086632 2 NC11H14 AB11C14 53.8 2.21 -7.96 -0.34 0
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413684 135086633 1 N2O5H18C19 A2B5C18D19 -130.61 2.07 -8.24 -0.9 0
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413685 135086634 2 NO2C10H11 AB2C10D11 -102.37 3.68 -8.33 -0.56 0
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413686 135086635 1 ClN2C13H13 AB2C13D13 36.0 4.1 -8.47 -0.44 0
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413687 135086636 1 NO3H15C18 AB3C15D18 -47.19 2.34 -8.59 -1.08 0
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413688 135086637 1 O4C11H16 A4B11C16 -117.1 3.59 -10.3 -0.18 0
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413689 135086638 1 SO2N4H16C17 AB2C4D16E17 31.8 3.66 -8.37 -0.71 0
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413690 135086639 1 FSO2N4H13C16 ABC2D4E13F16 -5.91 3.58 -8.64 -0.92 0
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413691 135086640 1 LiN2C5H7 AB2C5D7 14.24 12.79 -7.8 1.5 0
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413692 135086641 1 BrN2O2C14H15 AB2C2D14E15 -19.99 0.45 -8.72 -0.38 0
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413693 135086642 1 BrN2O2C15H17 AB2C2D15E17 -24.8 6.67 -8.79 -0.44 0
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413694 135086643 1 O2N3C15H15 A2B3C15D15 8.87 2.16 -8.95 -0.63 0
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413695 135086644 1 N2O2H18C19 A2B2C18D19 14.41 5.2 -8.52 -0.23 0
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413696 135086645 1 NH9C10 AB9C10 86.16 2.99 -9.66 0.13 0
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413697 135086646 4 OC3H5 AB3C5 -203.84 5.64 -9.94 -0.03 0
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413698 135086647 1 SiN2O2C12H24 AB2C2D12E24 -111.39 0.26 -9.34 -0.12 1
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413699 135086648 1 SiN2O2C12H25 AB2C2D12E25 -92.6 2.5 0.0 0.0 0
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413700 135086649 1 NO4C10H11 AB4C10D11 -119.19 3.15 -9.24 -0.4 0
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413701 135086651 1 NPO3C8H18 ABC3D8E18 -191.83 4.36 -9.95 0.99 0
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413702 135086652 1 SeC15H20 AB15C20 46.66 1.65 -8.22 -0.03 0
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413703 135086653 1 NSO2C10H19 ABC2D10E19 -67.61 3.78 -10.06 0.36 0
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413704 135086654 1 OSiC15H20 ABC15D20 3.68 1.5 -9.48 0.3 0
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413705 135086655 1 SeN4C10H12 AB4C10D12 109.63 4.94 -7.99 -1.11 0
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413706 135086656 2 ON2H4C5 AB2C4D5 22.25 3.48 -10.1 -1.6 0
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413707 135086657 1 OSN3H9C11 ABC3D9E11 36.02 3.66 -8.91 -1.08 0
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413708 135086658 1 Br2O3H10C11 A2B3C10D11 -77.62 2.01 -9.82 -1.44 0
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413709 135086659 1 ClO2C13H15 AB2C13D15 -90.35 0.54 -9.48 -0.2 0
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413710 135086660 1 O2F3H11C13 A2B3C11D13 -225.11 5.67 -10.12 -0.54 0
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413711 135086661 2 OC7H9 AB7C9 -89.06 2.78 -9.17 0.33 0
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413712 135086662 2 OC7H8 AB7C8 -79.59 2.75 -9.01 0.06 0
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413713 135086663 1 ClSF3O3C9H16 ABC3D3E9F16 -321.29 3.94 -10.73 -1.31 0
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413714 135086664 1 ClN2O4H23C27 AB2C4D23E27 -68.22 3.15 -8.67 -1.06 0
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413715 135086665 1 NF3C12H18 AB3C12D18 -162.71 5.55 -10.34 0.54 0
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413716 135086666 1 NSBr2O2C24H33 ABC2D2E24F33 -80.59 4.36 -9.32 -0.89 0
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413717 135086667 1 SSiO5C27H34 ABC5D27E34 -172.83 1.87 -8.81 -1.27 0
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413718 135086668 1 SiF3O5C30H35 AB3C5D30E35 -324.52 4.69 -8.78 -1.53 0
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413719 135086669 1 SiO5C32H42 AB5C32D42 -194.46 5.71 -8.62 -1.02 0
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413720 135086670 1 NC21H27 AB21C27 39.5 1.76 -8.76 0.42 0
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413721 135086671 2 OC10H13 AB10C13 -77.52 3.65 -8.58 -0.09 0
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413722 135086672 1 O7C22H22 A7B22C22 -260.72 3.01 -10.12 -0.72 0
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413723 135086673 1 O3C13H18 A3B13C18 -99.23 4.88 -8.37 -0.04 0
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413724 135086674 1 NO2F3H12C17 AB2C3D12E17 -166.54 1.42 -9.5 -1.11 0
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413725 135086675 1 O2C21H26 A2B21C26 -77.97 2.07 -8.95 -0.51 0
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413726 135086676 1 BrO2C16H21 AB2C16D21 -87.06 2.75 -9.64 -0.36 0
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413727 135086677 1 S2O3H16C17 A2B3C16D17 -8.87 6.09 -8.3 -1.02 0
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413728 135086678 1 SO2C20H20 AB2C20D20 -1.98 5.8 -8.56 -0.65 0
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413729 135086679 1 ClO2S2H15C17 AB2C2D15E17 5.4 7.94 -8.78 -1.13 0
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413730 135086680 1 SeO2C20H22 AB2C20D22 -56.08 6.06 -8.7 -0.75 0
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413731 135086681 1 STeC18H28 ABC18D28 -6.33 2.83 -8.03 -0.01 0
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413732 135086682 2 H10C11 A10B11 64.38 0.85 -8.77 -0.18 0
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413733 135086683 1 NOSiC9H15 ABCD9E15 -32.84 5.19 -8.94 0.16 0
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413734 135086684 1 O2C15H20 A2B15C20 -79.55 1.88 -9.43 -0.36 0
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413735 135086685 1 NF3O3C18H20 AB3C3D18E20 -282.82 2.27 -10.13 -0.81 0
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413736 135086686 1 NO4C15H19 AB4C15D19 -152.65 2.07 -9.16 -0.82 0
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413737 135086687 1 OPH19C21 ABC19D21 12.81 5.21 -9.04 -0.11 0
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413738 135086688 1 SO2C19H22 AB2C19D22 -44.1 6.4 -9.56 -0.19 0
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413739 135086689 1 SO2C16H16 AB2C16D16 -30.19 6.83 -9.25 -0.48 0
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413740 135086690 1 NO2C13H17 AB2C13D17 -27.47 4.2 -9.1 0.06 0
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413741 135086691 2 NOC7H7 ABC7D7 -4.0 3.57 -9.14 -0.68 0
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413742 135086692 1 PO2C17H25 AB2C17D25 -106.89 1.04 -8.78 0.09 0
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413743 135086693 1 PO2C17H27 AB2C17D27 -131.75 1.16 -9.06 0.11 0
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413744 135086694 3 OC5H6 AB5C6 -120.42 3.97 -9.17 0.28 0
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413745 135086695 1 ClO3H11C12 AB3C11D12 -95.16 2.21 -9.53 -1.0 0
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413746 135086696 1 BrSN2O2H17C19 ABC2D2E17F19 -18.52 4.55 -8.66 -0.69 0
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413747 135086697 1 ClNO2H16C17 ABC2D16E17 -34.12 4.23 -9.55 -0.29 0
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413748 135086698 1 NO3C18H19 AB3C18D19 -66.88 2.71 -8.84 -0.27 0
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413749 135086699 1 NO2C18H19 AB2C18D19 -35.61 2.46 -9.22 -0.07 0
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413750 135086700 1 NO2C18H19 AB2C18D19 -35.11 4.07 -9.28 -0.15 0
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413751 135086701 1 NF3H12C18 AB3C12D18 -70.61 4.25 -8.9 -1.06 0
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413752 135086702 1 NF3H12C18 AB3C12D18 -71.51 4.76 -9.09 -1.09 0
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413753 135086703 1 BrO3C13H13 AB3C13D13 -93.63 4.14 -9.58 -0.45 0
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413754 135086704 1 BrSN2O2H19C20 ABC2D2E19F20 -25.31 9.28 -9.15 -0.6 0
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413755 135086705 1 NOF3H14C20 ABC3D14E20 -120.36 3.98 -9.01 -1.04 0
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413756 135086706 2 O2C8H9 A2B8C9 -109.69 2.11 -9.54 -0.22 0
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413757 135086707 1 O4C17H20 A4B17C20 -103.63 4.02 -9.37 -0.26 0
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413758 135086708 1 NF3O5C16H18 AB3C5D16E18 -365.99 0.33 -10.24 -1.24 0
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413759 135086709 1 N3O4C16H21 A3B4C16D21 -123.85 1.83 -9.62 -0.51 1
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413760 135086710 1 N3O4C16H22 A3B4C16D22 -113.11 3.34 0.0 0.0 0
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413761 135086711 1 N3O4C17H23 A3B4C17D23 -134.07 2.34 -9.4 -0.45 1
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413762 135086712 1 N3O4C17H24 A3B4C17D24 -130.46 4.26 0.0 0.0 0
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413763 135086713 1 O4C17H20 A4B17C20 -114.09 5.87 -9.5 -0.15 0