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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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314650 126622550 2 NF2O2H5C6 AB2C2D5E6 -334.04 4.84 -9.96 -1.17 0
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314651 126622553 1 F2N2O5C18H22 A2B2C5D18E22 -314.36 5.3 -9.24 -0.78 0
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314652 126622557 1 ClFC10H10 ABC10D10 -39.42 1.61 -9.6 -0.15 0
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314653 126622558 1 ClNO3H8C9 ABC3D8E9 -117.68 5.62 -10.21 -1.17 0
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314654 126622559 1 NO2C10H11 AB2C10D11 -41.83 5.25 -9.73 -0.78 0
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314655 126622571 1 CaO4C20H22 AB4C20D22 -261.54 0.09 -9.43 0.27 0
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314656 126622580 1 NO4C11H13 AB4C11D13 -152.91 4.19 -9.19 -0.42 0
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314657 126622587 1 N2O2F4H10C11 A2B2C4D10E11 -248.86 4.95 -9.35 -0.71 0
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314658 126622588 1 NO4C10H11 AB4C10D11 -149.29 6.92 -9.59 -0.97 0
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314659 126622589 1 Cl2F2O2N3H19C26 A2B2C2D3E19F26 -96.79 6.58 -9.52 -0.93 0
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314660 126622592 1 FNO4H10C17 ABC4D10E17 -128.17 8.8 -9.64 -1.76 0
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314661 126622596 1 ClNF2O3H14C19 ABC2D3E14F19 -167.31 3.74 -9.46 -1.1 0
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314662 126622598 1 OBr2C12H16 AB2C12D16 -34.37 2.96 -9.55 -0.71 0
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314663 126622601 1 BrF4N4O5H17C22 AB4C4D5E17F22 -344.23 5.1 -9.42 -0.93 0
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314664 126622611 1 BrN3O3C7H8 AB3C3D7E8 -84.45 5.19 -9.88 -0.67 0
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314665 126622612 1 ClF2N2O6H33C35 AB2C2D6E33F35 -254.73 9.42 -8.59 -0.9 0
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314666 126622613 1 ISH4N5C6 ABC4D5E6 164.34 3.57 -8.81 -1.63 0
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314667 126622614 1 ClF2N3O4H24C27 AB2C3D4E24F27 -209.26 2.92 -9.12 -0.51 0
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314668 126622618 1 BrFSN5O6C24H25 ABCD5E6F24G25 -200.89 5.37 -9.16 -0.97 0
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314669 126622619 1 ClF2N3O4H24C27 AB2C3D4E24F27 -197.81 6.84 -9.04 -0.7 0
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314670 126622623 1 NO5C9H15 AB5C9D15 -230.98 7.16 -10.14 -0.15 0
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314671 126622626 1 BrPN4O7H20C21 ABC4D7E20F21 -231.19 2.2 -9.46 -1.32 0
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314672 126622627 1 OF2N7H19C24 AB2C7D19E24 29.57 6.78 -9.02 -1.05 0
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314673 126622656 1 FN3O5H16C17 AB3C5D16E17 -176.71 2.69 -9.22 -1.5 0
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314674 126622685 1 BrClN2O2H4C8 ABC2D2E4F8 -30.76 3.88 -9.67 -1.62 0
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314675 126622686 1 ClFN2O4H16C17 ABC2D4E16F17 -185.9 1.88 -9.13 -0.44 0
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314676 126622687 1 BrClON2H4C7 ABCD2E4F7 -13.29 2.48 -9.22 -0.97 0
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314677 126622689 1 ClF2O3N6H25C31 AB2C3D6E25F31 -75.68 3.45 -9.05 -1.03 0
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314678 126622699 1 OCl2N2C6H12 AB2C2D6E12 -75.27 4.03 -9.11 -0.37 0
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314679 126622700 1 Cl2N3O4H29C30 A2B3C4D29E30 -103.74 5.66 -9.05 -0.73 0
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314680 126622706 1 FSCl2N3O4H30C35 ABC2D3E4F30G35 -77.98 4.32 -8.8 -1.56 0
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314681 126622708 1 SF3N4O4H27C32 AB3C4D4E27F32 -162.04 8.92 -8.75 -1.07 0
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314682 126622710 1 Cl2N3O6C37H41 A2B3C6D37E41 -213.09 5.21 -9.18 -0.63 0
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314683 126622711 1 ClO2N3H36C37 AB2C3D36E37 22.01 6.52 -8.84 -0.73 0
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314684 126622714 1 SN3O4C19H19 AB3C4D19E19 -77.82 4.68 -9.05 -1.1 0
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314685 126622718 1 SF3N3O4C17H18 AB3C3D4E17F18 -241.96 7.48 -9.3 -1.18 0
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314686 126622722 1 ClSO2N4H25C26 ABC2D4E25F26 23.65 4.25 -9.06 -0.77 0
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314687 126622724 1 Cl2N2O2H32C39 A2B2C2D32E39 56.24 1.09 -9.06 -1.01 0
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314688 126622727 1 Cl2N2O5H24C26 A2B2C5D24E26 -91.09 4.92 -9.39 -1.44 -1
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314689 126622728 1 Cl2N2O5H23C26 A2B2C5D23E26 -25.75 16.7 0.0 0.0 0
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314690 126622734 1 ClSN4O4H21C22 ABC4D4E21F22 -34.76 5.0 -9.24 -1.23 0
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314691 126622750 1 FSCl2N3O4H36C42 ABC2D3E4F36G42 -61.74 5.81 -8.93 -1.24 0
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314692 126622751 1 FSCl2N3O4H36C42 ABC2D3E4F36G42 -61.03 4.54 -8.93 -1.6 0
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314693 126622753 1 NOC9H19 ABC9D19 -56.98 4.02 -8.93 2.73 0
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314694 126622755 1 ClISO2F3N4H23C25 ABCD2E3F4G23H25 -110.18 5.69 -9.3 -2.32 0
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314695 126622756 1 IOC27H57 ABC27D57 -174.18 3.32 -9.66 -1.04 0
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314696 126622760 1 FNH14C15 ABC14D15 -2.67 0.49 -8.91 -0.17 0
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314697 126622761 1 NC14H19 AB14C19 3.07 1.63 -8.78 0.51 0
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314700 126622768 1 F2O3H6C10 A2B3C6D10 -197.23 7.37 -10.2 -1.89 0
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314701 126622769 1 SCl2N3F6O15C56H69 AB2C3D6E15F56G69 -415.93 6.04 -8.54 -2.03 0