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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407774 135080529 1 OCl2C6H12 AB2C6D12 -97.53 2.01 -10.65 -0.06 0
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407775 135080530 1 O3H5N5C7 A3B5C5D7 47.19 8.03 -10.05 -1.48 1
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407776 135080531 1 O3N5H6C7 A3B5C6D7 49.9 5.15 0.0 0.0 0
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407777 135080532 1 NSO4C8H17 ABC4D8E17 -170.6 17.99 -9.62 -0.36 0
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407778 135080533 1 FSiO2C12H25 ABC2D12E25 -196.22 1.89 -8.93 1.1 0
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407779 135080534 1 FOC12H17 ABC12D17 -103.77 3.58 -9.62 0.18 0
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407781 135080536 2 NC7H7 AB7C7 95.5 2.19 -8.76 -0.34 0
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407782 135080537 1 FO2C10H13 AB2C10D13 -120.37 2.51 -9.13 0.05 0
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407783 135080538 1 O3C12H20 A3B12C20 -161.5 2.06 -9.82 0.49 0
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407784 135080539 1 NO4H7C9 AB4C7D9 -55.82 4.0 -10.1 -0.52 0
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407785 135080540 1 ClFSO2N3H7C10 ABCD2E3F7G10 -53.92 6.15 -9.06 -1.6 0
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407786 135080541 1 NO3C13H15 AB3C13D15 -96.35 4.32 -8.81 -0.07 0
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407787 135080542 1 NO4C7H9 AB4C7D9 -151.21 4.01 -10.52 -0.72 0
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407788 135080543 2 BrOC6H10 ABC6D10 -97.7 2.53 -10.11 -0.66 1
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407789 135080544 1 PO4C8H10 AB4C8D10 -142.37 5.39 0.0 0.0 0
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407790 135080545 1 PN2O4C10H17 AB2C4D10E17 -205.85 2.38 -9.87 -0.7 0
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407791 135080546 1 ON4C12H14 AB4C12D14 1.35 3.77 -8.37 -0.26 0
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407792 135080547 1 NOC13H15 ABC13D15 -9.06 4.09 -8.62 0.18 0
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407793 135080548 1 ClSC11H13 ABC11D13 17.43 3.16 -8.5 -0.15 0
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407794 135080549 1 OC11H18 AB11C18 -45.63 1.78 -9.24 1.18 0
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407795 135080550 1 SiC12H26 AB12C26 -53.82 0.95 -8.63 1.26 0
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407796 135080551 1 N2C11H16 A2B11C16 52.02 1.92 -9.07 -0.06 0
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407797 135080552 1 NO2C13H21 AB2C13D21 -107.55 2.25 -9.56 0.16 0
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407798 135080553 1 FNOC13H18 ABCD13E18 -85.4 1.53 -7.99 0.2 0
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407799 135080554 1 ClO2F3C9H10 AB2C3D9E10 -233.22 3.48 -8.97 0.09 0
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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