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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407800 135080555 3 OC5H8 AB5C8 -129.93 1.37 -9.69 0.81 0
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407801 135080556 1 SH4N4C5O6 AB4C4D5E6 -36.32 3.14 -9.96 -2.28 0
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407802 135080557 2 NC7H12 AB7C12 3.01 1.95 -9.32 2.08 1
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407803 135080558 1 Cl2N2C11H11 A2B2C11D11 45.68 1.72 0.0 0.0 0
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407804 135080559 1 N2C13H20 A2B13C20 42.93 1.79 -8.74 -0.33 0
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407805 135080560 1 F3O4C6H9 A3B4C6D9 -341.26 1.9 -11.22 0.02 0
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407806 135080561 1 Cl2O2C9H14 A2B2C9D14 -122.59 2.13 -10.83 -0.33 0
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407807 135080562 1 FO3C12H13 AB3C12D13 -165.11 4.45 -10.36 -1.23 0
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407808 135080563 1 FSCl2O2N3H6C10 ABC2D2E3F6G10 -56.37 6.72 -9.46 -1.48 0
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407809 135080564 1 FNO3H8C11 ABC3D8E11 -72.2 1.95 -10.13 -0.68 0
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407810 135080565 1 LiSeC7H11 ABC7D11 20.38 9.76 -7.19 1.21 0
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407811 135080566 1 NSO5C9H19 ABC5D9E19 -253.8 4.1 -10.06 0.22 0
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407812 135080567 1 OC14H26 AB14C26 -47.58 2.02 -8.83 0.77 0
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407813 135080568 1 OSC14H18 ABC14D18 12.05 4.43 -8.29 -0.13 0
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407814 135080569 1 PSO2C7H13 ABC2D7E13 -129.08 4.39 -9.12 0.16 0
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407815 135080570 1 NSO2H9C10 ABC2D9E10 31.67 4.66 -8.73 -1.4 0
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407816 135080571 1 ClO3C11H13 AB3C11D13 -134.81 3.41 -9.64 -0.3 0
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407817 135080572 1 NO3C14H21 AB3C14D21 -104.81 2.4 -9.02 0.38 0
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407818 135080573 1 O2Cl4C11H18 A2B4C11D18 -164.98 2.29 -10.94 -0.71 0
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407819 135080574 1 O3C11H18 A3B11C18 -168.95 4.13 -10.13 0.72 0
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407820 135080575 1 OS2C11H20 AB2C11D20 -54.12 5.36 -8.24 0.51 0
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407821 135080576 1 NSO2C9H19 ABC2D9E19 -94.03 5.27 -8.18 -0.04 0
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407822 135080577 1 LiN2H11C13 AB2C11D13 68.17 7.62 -8.05 0.32 0
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407823 135080578 1 N2H12C13 A2B12C13 73.26 4.41 -9.76 -0.21 0
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407824 135080579 1 ClN3H8C12 AB3C8D12 87.05 2.91 -8.96 -0.96 0
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407825 135080580 2 OC4H6 AB4C6 -26.44 2.03 -9.54 0.24 0
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407826 135080581 2 OC7H13 AB7C13 -121.18 0.37 -9.54 1.37 0
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407828 135080583 1 OF3C13H21 AB3C13D21 -226.99 4.04 -9.83 0.29 0
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407829 135080584 1 OF3C11H11 AB3C11D11 -169.11 3.85 -9.83 -0.09 0
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407830 135080585 1 O2N3H9C11 A2B3C9D11 51.55 4.72 -9.17 -1.48 0
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407831 135080586 2 OC7H9 AB7C9 -57.3 2.86 -8.3 0.26 0
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407832 135080587 1 FO5C12H19 AB5C12D19 -300.06 1.41 -10.19 1.03 0
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407833 135080588 1 O2C11H18 A2B11C18 -100.74 3.67 -9.87 -0.17 0
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407834 135080589 1 O2C7H10 A2B7C10 -86.87 0.87 -10.03 -0.28 0
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407835 135080590 1 BrClOC5H8 ABCD5E8 -50.04 1.81 -10.65 -0.65 0
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407836 135080591 1 N2C13H20 A2B13C20 18.08 2.13 -8.59 0.97 0
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407837 135080592 2 NOH6C7 ABC6D7 23.59 4.12 -8.76 -0.34 0
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407838 135080593 1 NOC12H25 ABC12D25 -93.18 2.81 -8.49 2.9 0
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407839 135080594 1 ON3H5C11 AB3C5D11 124.16 2.93 -10.65 -1.46 0
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407840 135080595 1 OSN4C8H8 ABC4D8E8 103.27 5.37 -9.35 -1.02 0
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407841 135080596 1 ON3C10H11 AB3C10D11 59.96 4.7 -9.63 -0.29 0
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407842 135080597 1 OSN2H10C13 ABC2D10E13 71.28 0.36 -8.81 -1.35 0
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407843 135080598 1 OSeC13H16 ABC13D16 -3.58 1.73 -8.36 -0.16 0
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407844 135080599 1 NO2C13H19 AB2C13D19 -50.45 2.43 -9.15 0.34 0
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407845 135080600 1 NSO2C9H13 ABC2D9E13 -62.83 4.35 -8.62 0.28 0
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407846 135080601 1 BO2C12H25 AB2C12D25 -210.74 2.43 -10.27 1.79 0
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407847 135080602 1 ON2H10C12 AB2C10D12 58.39 2.6 -8.22 -0.81 0
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407848 135080603 1 Cl2O3C12H12 A2B3C12D12 -124.59 2.02 -9.49 -0.52 0
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407849 135080604 1 OC14H16 AB14C16 -3.53 3.24 -9.13 0.15 0
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407850 135080605 1 O2C13H14 A2B13C14 -59.78 4.79 -9.53 0.05 0
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407851 135080606 1 OC16H24 AB16C24 -45.36 2.4 -9.28 0.45 0
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407852 135080607 1 N2Cl3H5C8 A2B3C5D8 33.28 5.99 -8.88 -0.92 0
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407853 135080608 1 O2N3H11C12 A2B3C11D12 -3.32 4.83 -9.3 -1.21 0
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407854 135080609 2 NC7H10 AB7C10 7.6 1.85 -8.64 -0.07 0
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407855 135080610 1 OSiC8H14 ABC8D14 -67.02 1.29 -9.56 1.0 0
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407856 135080611 1 NO2Si3C10H27 AB2C3D10E27 -282.35 1.61 -9.27 0.89 0
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407857 135080612 1 OC10H16 AB10C16 -43.01 2.1 -9.26 1.16 0
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407858 135080613 1 N2C15H16 A2B15C16 79.2 2.3 -8.71 -0.21 0
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407859 135080614 1 SiC16H30 AB16C30 -18.99 0.86 -8.91 1.04 0
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407860 135080615 1 SeSiC12H20 ABC12D20 -49.03 1.65 -8.32 -0.1 0
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407861 135080616 1 BrFNO2H3C6 ABCD2E3F6 -56.03 5.4 -11.61 -1.7 0
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407862 135080617 1 OF2C10H10 AB2C10D10 -109.97 1.79 -9.8 -0.28 0
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407863 135080618 1 ClFNO2C9H11 ABCD2E9F11 -109.53 4.19 -11.17 -0.13 0
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407865 135080620 1 BrClOC11H14 ABCD11E14 -50.64 3.11 -9.65 -0.41 0
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407866 135080621 1 ClN3C10H10 AB3C10D10 70.83 4.43 -9.7 -0.42 0
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407867 135080622 1 OSiN2F3C9H13 ABC2D3E9F13 -201.87 3.68 -10.06 -0.31 0
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407868 135080623 1 ON2C13H18 AB2C13D18 -12.49 3.56 -9.0 0.48 0
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407869 135080624 1 O2C9H16 A2B9C16 -101.57 4.75 -10.72 0.69 0
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407870 135080625 1 NO2C10H19 AB2C10D19 -86.74 1.81 -9.02 1.13 0
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407871 135080626 1 ON2C11H22 AB2C11D22 -53.37 5.27 -9.29 0.74 0
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407872 135080627 1 NOC11H15 ABC11D15 -3.06 4.02 -9.93 0.28 0
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407873 135080628 1 NO2C12H17 AB2C12D17 -70.99 5.75 -9.14 -0.28 -2
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407874 135080629 2 O2C4H5 A2B4C5 -152.9 1.15 -10.8 0.3 -2
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407875 135080630 1 PC6H9O9 AB6C9D9 -348.18 5.24 -10.83 -1.57 0
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407876 135080631 1 PC6O9H11 AB6C9D11 -463.57 3.31 -10.81 -0.26 0