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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79603 49829692 1 N3O5C22H33 A3B5C22D33 -107.74 11.92 -6.29 -0.29 0
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79604 49829693 2 ClNO2C10H10 ABC2D10E10 -160.48 4.41 -9.04 -0.71 2
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79605 49829699 1 O2N3C25H31 A2B3C25D31 10.85 10.23 -6.32 -0.05 2
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79606 49829703 1 O3N4C22H34 A3B4C22D34 -64.86 4.45 -8.83 -0.13 0
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79607 49829705 1 SN2O4C21H26 AB2C4D21E26 -128.41 3.23 -9.01 -0.74 1
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79608 49829706 1 FN2O5C21H30 AB2C5D21E30 -226.57 4.91 0.0 0.0 1
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79609 49829710 1 N2O5C23H31 A2B5C23D31 -135.56 8.81 0.0 0.0 1
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79610 49829711 1 ClS2N3O3C17H23 AB2C3D3E17F23 -52.54 4.96 0.0 0.0 1
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79611 49829712 1 N2O7C20H25 A2B7C20D25 -143.87 14.36 0.0 0.0 1
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79612 49829716 1 N3O4C23H28 A3B4C23D28 -103.79 6.34 0.0 0.0 0
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79613 49829717 1 N3O4C23H27 A3B4C23D27 -122.24 5.77 -8.74 -0.14 1
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79614 49829719 1 FON6C22H24 ABC6D22E24 66.81 4.96 0.0 0.0 0
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79615 49829725 1 ClN3O6H14C18 AB3C6D14E18 -92.03 5.16 -9.82 -1.88 0
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79616 49829728 1 SN3O4C21H25 AB3C4D21E25 -114.37 6.62 -9.42 -0.71 0
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79617 49829733 1 N5O5C20H33 A5B5C20D33 -208.77 2.49 -9.4 -0.36 0
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79618 49829735 1 NSF2O5C19H19 ABC2D5E19F19 -255.46 7.56 -9.73 -1.3 0
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79619 49829738 1 NO6C23H25 AB6C23D25 -159.14 6.84 -8.43 -1.31 0
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79620 49829739 1 N2O3C25H32 A2B3C25D32 -123.34 2.32 -8.9 -0.49 1
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79621 49829742 1 O3N4C23H31 A3B4C23D31 -74.02 3.97 0.0 0.0 0
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79622 49829743 1 O3N4C23H30 A3B4C23D30 -84.01 3.77 -8.89 -0.15 0
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79623 49829761 1 ClN3O5H18C20 AB3C5D18E20 -158.21 4.02 -9.35 -1.51 0
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79624 49829764 1 SN2O3C24H24 AB2C3D24E24 -34.61 1.62 -8.52 -0.16 1
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79625 49829767 1 N3O3C25H34 A3B3C25D34 -91.29 4.87 0.0 0.0 0
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79626 49829771 1 SN2O3C23H24 AB2C3D23E24 -47.71 5.66 -8.66 -0.7 0
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79627 49829773 1 NO5C25H29 AB5C25D29 -158.62 6.0 -8.7 -0.96 1
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79628 49829780 1 NO4C24H34 AB4C24D34 -142.35 3.71 0.0 0.0 0
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79629 49829781 1 NO4C24H33 AB4C24D33 -165.63 5.32 -9.07 -0.17 1
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79630 49829785 1 NO5C23H36 AB5C23D36 -208.51 5.65 0.0 0.0 0
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79631 49829786 1 NO5C23H35 AB5C23D35 -226.56 6.87 -9.06 0.88 1
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79632 49829792 1 O3N4C23H31 A3B4C23D31 -94.81 6.86 0.0 0.0 0
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79633 49829794 1 SN3O4C21H23 AB3C4D21E23 -102.58 4.51 -9.26 -1.49 0
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79634 49829796 1 N2O7C20H24 A2B7C20D24 -194.29 8.67 -9.37 -1.48 1
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79635 49829798 1 OSN6C21H23 ABC6D21E23 99.05 13.44 0.0 0.0 1
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79636 49829800 1 ClO2N3C23H23 AB2C3D23E23 -13.37 4.08 0.0 0.0 0
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79637 49829804 1 ClSN2O4H19C20 ABC2D4E19F20 -111.94 4.58 -9.1 -1.0 0
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79638 49829806 1 SN3O5C19H25 AB3C5D19E25 -212.07 6.05 -9.27 -0.57 0
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79639 49829811 1 N3O4C24H25 A3B4C24D25 -102.8 5.87 -8.95 -0.98 0
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79640 49829817 1 NSO5H17C23 ABC5D17E23 -98.89 3.97 -8.84 -1.35 0
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79641 49829821 1 FOS2N4H17C20 ABC2D4E17F20 27.66 1.83 -9.07 -1.15 0
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79642 49829824 1 N3O5C21H27 A3B5C21D27 -67.92 3.75 -9.04 -1.1 1
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79643 49829826 1 BrN2O3C19H22 AB2C3D19E22 -49.25 4.46 0.0 0.0 0
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79644 49829827 1 BrN2O3C19H21 AB2C3D19E21 -66.79 3.28 -8.85 -0.18 1
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79645 49829828 1 SO2N3C24H28 AB2C3D24E28 6.95 8.36 0.0 0.0 0
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79646 49829831 1 NO3C26H39 AB3C26D39 -171.75 3.93 -9.02 0.75 0
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79647 49829834 1 N3O3C25H29 A3B3C25D29 -73.08 5.44 -9.12 -0.41 1
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79648 49829842 1 ClSO2N4C19H22 ABC2D4E19F22 -14.34 16.59 0.0 0.0 0
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79649 49829845 1 NO6C22H27 AB6C22D27 -216.19 10.04 -8.2 -0.81 -1
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79650 49829846 1 NF3O4H19C21 AB3C4D19E21 -230.66 21.09 0.0 0.0 2
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79651 49829851 1 SN5H23C24 AB5C23D24 146.95 3.04 -6.59 -0.93 0
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79652 49829853 1 ClFN2O5H18C19 ABC2D5E18F19 -125.97 8.83 -8.81 -1.46 0